#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 7.33 0.45 7.83 0.02 -1.26 -4.95 114.94 124.35 2c0s s ASN 2 Ca 0.00 2.07 0.17 0.00 -1.02 0.00 0.00 52.86 54.09 2c0s s ASN 2 Cb 0.00 -2.61 1.05 0.00 0.02 0.00 0.00 41.25 39.71 2c0s s ASN 2 CO 0.00 -0.08 1.97 -0.37 0.02 0.00 0.00 177.10 178.63 2c0s h VAL 3 N 2.92 1.01 -0.10 1.60 -1.51 -2.04 -1.39 116.25 116.74 2c0s h VAL 3 Ca -0.46 -0.77 -0.07 0.00 -1.23 0.00 0.00 66.70 64.16 2c0s h VAL 3 Cb 1.21 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2c0s h VAL 3 CO 0.66 0.21 -0.26 0.00 -1.23 0.00 0.00 177.57 176.95 2c0s h THR 4 N 0.00 1.23 0.07 7.19 1.03 -1.98 0.23 112.91 120.68 2c0s h THR 4 Ca -0.00 -1.08 -0.25 0.00 -0.01 0.00 0.00 66.41 65.07 2c0s h THR 4 Cb 0.42 1.45 -0.00 0.00 -1.07 0.00 0.00 68.15 68.94 2c0s h THR 4 CO 0.03 0.32 -1.10 0.11 -0.01 0.00 0.00 175.52 174.87 2c0s h LYS 5 N 0.16 0.28 -0.42 0.00 1.79 -1.67 -0.15 116.57 116.56 2c0s h LYS 5 Ca 0.03 -0.40 -0.15 0.00 -2.18 0.00 0.00 60.65 57.95 2c0s h LYS 5 Cb 0.55 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2c0s h LYS 5 CO 0.04 1.14 -0.33 1.25 -1.08 0.00 0.00 179.45 180.47 2c0s h LEU 6 N 0.11 1.02 -0.85 2.94 5.85 -1.00 -1.85 115.31 121.54 2c0s h LEU 6 Ca -0.10 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 2c0s h LEU 6 Cb 1.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 2c0s h LEU 6 CO 0.18 1.24 -0.07 -1.13 -0.34 0.00 0.00 178.44 178.32 2c0s h ASN 7 N 0.80 0.76 -1.00 1.25 -0.00 -0.49 -1.72 115.58 115.18 2c0s h ASN 7 Ca 0.08 -0.21 0.02 0.00 -0.00 0.00 0.00 56.30 56.19 2c0s h ASN 7 Cb 0.92 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 38.99 2c0s h ASN 7 CO 0.09 0.87 0.66 -0.78 -0.00 0.00 0.00 177.43 178.27 2c0s h ASP 8 N 0.71 1.12 -0.59 1.15 3.58 -0.75 -0.00 116.42 121.63 2c0s h ASP 8 Ca 0.13 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2c0s h ASP 8 Cb 0.54 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2c0s h ASP 8 CO 0.03 0.80 0.14 0.03 -2.88 0.00 0.00 179.24 177.36 2c0s h ARG 9 N 1.32 0.99 -0.45 0.28 3.08 -0.73 0.11 114.38 118.98 2c0s h ARG 9 Ca 0.38 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2c0s h ARG 9 Cb -0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2c0s h ARG 9 CO -0.10 0.89 0.26 0.82 -1.07 0.00 0.00 179.97 180.76 2c0s h ILE 10 N 0.94 1.15 -0.78 2.04 2.04 -0.39 -0.83 117.51 121.68 2c0s h ILE 10 Ca 0.20 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2c0s h ILE 10 Cb 0.35 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2c0s h ILE 10 CO 0.00 0.16 0.37 -0.08 0.00 0.00 0.00 178.15 178.60 2c0s h GLU 11 N 0.59 1.13 0.00 2.37 4.81 -0.59 -0.48 114.58 122.41 2c0s h GLU 11 Ca 0.16 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2c0s h GLU 11 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2c0s h GLU 11 CO -0.03 0.87 -0.21 0.00 -0.73 0.00 0.00 179.01 178.92 2c0s h ALA 12 N 1.28 1.33 0.03 2.92 0.00 -0.30 -1.83 119.26 122.69 2c0s h ALA 12 Ca 0.27 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2c0s h ALA 12 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2c0s h ALA 12 CO -0.03 0.26 -0.98 0.87 0.00 0.00 0.00 179.25 179.37 2c0s h LYS 13 N 0.00 0.26 0.24 0.00 1.79 0.31 -1.49 116.57 117.67 2c0s h LYS 13 Ca -0.00 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2c0s h LYS 13 Cb 0.47 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2c0s h LYS 13 CO 0.03 1.05 -0.21 0.87 -1.08 0.00 0.00 179.45 180.11 2c0s h LYS 14 N 0.13 -0.44 -0.41 3.15 1.79 -0.49 0.17 116.57 120.46 2c0s h LYS 14 Ca -0.07 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 2c0s h LYS 14 Cb 1.64 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.37 2c0s h LYS 14 CO 0.16 -0.30 0.02 0.87 -1.08 0.00 0.00 179.45 179.12 2c0s h LYS 15 N -0.46 0.65 0.01 3.15 1.79 -1.36 -1.62 116.57 118.72 2c0s h LYS 15 Ca -0.01 -0.15 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2c0s h LYS 15 Cb 0.42 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2c0s h LYS 15 CO -0.03 0.65 -0.29 1.49 -1.08 0.00 0.00 179.45 180.19 2c0s h GLU 16 N 0.61 0.18 0.02 3.15 4.57 -1.03 -2.90 114.58 119.19 2c0s h GLU 16 Ca 0.13 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2c0s h GLU 16 Cb 0.36 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2c0s h GLU 16 CO 0.01 0.96 -0.01 1.25 -1.18 0.00 0.00 179.01 180.04 2c0s h LEU 17 N -0.51 -0.03 -0.72 1.64 5.85 -0.54 -1.38 115.31 119.62 2c0s h LEU 17 Ca -0.04 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2c0s h LEU 17 Cb 1.08 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2c0s h LEU 17 CO 0.06 0.11 0.47 0.40 -0.34 0.00 0.00 178.44 179.13 2c0s h ILE 18 N -0.16 1.15 -0.79 4.05 2.04 -1.42 0.96 117.51 123.35 2c0s h ILE 18 Ca -0.00 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.58 2c0s h ILE 18 Cb 0.15 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2c0s h ILE 18 CO 0.01 0.17 0.49 0.22 0.00 0.00 0.00 178.15 179.03 2c0s h TYR 19 N 0.94 0.91 -0.03 1.37 3.20 -1.28 0.28 116.97 122.36 2c0s h TYR 19 Ca 0.27 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.99 2c0s h TYR 19 Cb -0.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 2c0s h TYR 19 CO -0.03 0.49 -0.77 -0.07 -1.64 0.00 0.00 178.16 176.14 2c0s h LEU 20 N 0.92 0.27 -1.05 2.82 3.38 -0.48 -2.42 115.31 118.75 2c0s h LEU 20 Ca 0.33 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2c0s h LEU 20 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2c0s h LEU 20 CO -0.14 0.93 -0.19 0.58 0.09 0.00 0.00 178.44 179.72 2c0s h VAL 21 N 0.14 1.24 -0.09 1.22 2.07 0.13 0.32 116.25 121.28 2c0s h VAL 21 Ca -0.03 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2c0s h VAL 21 Cb 1.35 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2c0s h VAL 21 CO 0.12 0.36 -0.05 -0.33 0.02 0.00 0.00 177.57 177.68 2c0s h GLU 22 N 0.41 0.20 0.05 1.57 5.08 -0.84 -2.58 114.58 118.47 2c0s h GLU 22 Ca 0.07 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2c0s h GLU 22 Cb 0.56 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2c0s h GLU 22 CO 0.04 0.57 -0.56 0.87 -1.00 0.00 0.00 179.01 178.93 2c0s h LYS 23 N -0.18 0.10 0.00 2.33 1.57 -1.32 -3.41 116.57 115.67 2c0s h LYS 23 Ca 0.02 -0.18 -0.43 0.00 -1.87 0.00 0.00 60.65 58.20 2c0s h LYS 23 Cb 0.51 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 2c0s h LYS 23 CO 0.01 1.08 -2.51 0.66 -0.57 0.00 0.00 179.45 178.13 2c0s n TYR 24 N -4.38 0.00 0.00 -1.35 4.01 0.94 -5.10 117.16 111.28 2c0s n TYR 24 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2c0s n TYR 24 Cb 0.65 -0.99 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 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 1.77 2.25 3.54 2.72 0.00 -0.15 -4.82 105.19 110.50 2c0s n GLY 25 Ca -0.50 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 2c0s n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2c0s s PHE 26 N -2.54 2.99 0.22 1.61 2.19 -1.26 -4.35 117.98 116.84 2c0s s PHE 26 Ca 0.00 -1.72 0.00 0.00 0.33 0.00 0.00 56.93 55.54 2c0s s PHE 26 Cb 0.00 -4.61 0.00 0.00 -1.31 0.00 0.00 43.02 37.10 2c0s s PHE 26 CO 0.00 -1.68 0.00 2.41 1.83 0.00 0.00 175.22 177.78 2c0s n THR 27 N 5.86 0.36 -2.04 0.12 -1.04 -1.26 -5.02 114.28 111.26 2c0s n THR 27 Ca 0.43 0.12 -0.33 0.00 -2.04 0.00 0.00 64.05 62.24 2c0s n THR 27 Cb 0.45 -0.81 0.01 0.00 -1.82 0.00 0.00 70.33 68.17 2c0s n THR 27 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2c0s s HIS 28 N -1.95 2.99 0.53 -1.42 -3.43 -1.26 -4.90 115.29 105.86 2c0s s HIS 28 Ca 0.00 1.51 0.36 0.00 -0.80 0.00 0.00 55.06 56.13 2c0s s HIS 28 Cb 0.00 -3.01 1.94 0.00 -1.43 0.00 0.00 32.58 30.09 2c0s s HIS 28 CO 0.00 -1.11 2.24 0.45 -2.00 0.00 0.00 174.74 174.31 2c0s h HIS 29 N 0.43 0.00 -0.23 0.38 -0.00 -1.98 -1.97 115.15 111.79 2c0s h HIS 29 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2c0s h HIS 29 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 2c0s h HIS 29 CO 0.59 0.03 0.13 -0.22 -0.00 0.00 0.00 177.93 178.46 2c0s h LYS 30 N 0.00 0.31 -0.30 2.45 3.64 -1.99 0.23 116.57 120.91 2c0s h LYS 30 Ca -0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2c0s h LYS 30 Cb 0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2c0s h LYS 30 CO 0.00 0.26 -0.24 0.28 -2.27 0.00 0.00 179.45 177.49 2c0s h VAL 31 N 0.28 1.27 -0.53 2.00 2.07 -1.69 -2.28 116.25 117.37 2c0s h VAL 31 Ca 0.08 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 2c0s h VAL 31 Cb 0.03 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2c0s h VAL 31 CO -0.01 0.42 0.10 0.40 0.02 0.00 0.00 177.57 178.49 2c0s h ILE 32 N 0.51 1.23 -0.45 4.57 2.04 -1.25 -2.56 117.51 121.60 2c0s h ILE 32 Ca 0.07 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2c0s h ILE 32 Cb 0.68 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2c0s h ILE 32 CO 0.05 0.32 0.05 0.77 0.00 0.00 0.00 178.15 179.34 2c0s h SER 33 N 0.79 0.66 -0.58 1.72 4.64 0.04 -1.35 113.55 119.48 2c0s h SER 33 Ca 0.17 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2c0s h SER 33 Cb 0.34 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2c0s h SER 33 CO 0.00 0.70 0.17 -0.26 -0.87 0.00 0.00 176.83 176.58 2c0s h PHE 34 N 0.67 0.98 -0.62 4.77 0.04 -1.26 0.11 116.94 121.64 2c0s h PHE 34 Ca 0.14 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2c0s h PHE 34 Cb 0.34 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2c0s h PHE 34 CO 0.02 0.79 0.07 1.03 -0.60 0.00 0.00 178.31 179.62 2c0s h SER 35 N 0.91 1.00 0.26 2.17 0.87 -1.13 0.21 113.55 117.84 2c0s h SER 35 Ca 0.20 -0.27 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 2c0s h SER 35 Cb 0.29 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2c0s h SER 35 CO -0.01 1.02 -0.46 1.56 -0.53 0.00 0.00 176.83 178.42 2c0s h GLN 36 N 0.95 0.25 -0.14 2.24 4.20 -0.70 -1.35 115.11 120.56 2c0s h GLN 36 Ca 0.18 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 2c0s h GLN 36 Cb 0.47 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2c0s h GLN 36 CO 0.02 0.67 -0.41 1.49 -0.67 0.00 0.00 178.83 179.93 2c0s h GLU 37 N 0.21 0.53 -0.22 1.46 4.81 -0.41 -0.19 114.58 120.77 2c0s h GLU 37 Ca 0.01 -0.38 0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2c0s h GLU 37 Cb 0.90 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 2c0s h GLU 37 CO 0.07 1.00 -0.15 1.25 -0.73 0.00 0.00 179.01 180.45 2c0s h LEU 38 N 0.16 -0.50 -0.77 1.64 7.12 -0.44 0.17 115.31 122.69 2c0s h LEU 38 Ca -0.01 0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.11 2c0s h LEU 38 Cb 1.03 0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.37 2c0s h LEU 38 CO 0.09 -0.19 0.50 -0.78 -0.13 0.00 0.00 178.44 177.93 2c0s h ASP 39 N -0.15 0.88 -0.22 1.25 3.58 -1.22 -2.05 116.42 118.50 2c0s h ASP 39 Ca 0.13 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.35 2c0s h ASP 39 Cb 0.34 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2c0s h ASP 39 CO -0.31 0.64 -0.64 -0.09 -2.88 0.00 0.00 179.24 175.96 2c0s h ARG 40 N 1.04 0.84 -0.18 0.28 2.43 -0.27 -1.60 114.38 116.93 2c0s h ARG 40 Ca 0.28 -0.59 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 2c0s h ARG 40 Cb -0.11 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2c0s h ARG 40 CO -0.06 1.22 -0.21 -0.07 -1.51 0.00 0.00 179.97 179.33 2c0s h LEU 41 N 0.62 0.30 -0.57 3.80 4.07 -0.57 -1.16 115.31 121.81 2c0s h LEU 41 Ca -0.01 -0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.75 2c0s h LEU 41 Cb 1.26 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.90 2c0s h LEU 41 CO 0.14 0.53 -0.11 0.25 -1.08 0.00 0.00 178.44 178.17 2c0s h LEU 42 N 0.28 1.04 -1.73 1.67 6.46 -1.18 -2.54 115.31 119.30 2c0s h LEU 42 Ca 0.05 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2c0s h LEU 42 Cb 0.54 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2c0s h LEU 42 CO 0.04 1.14 -0.12 0.78 -0.62 0.00 0.00 178.44 179.66 2c0s h ASN 43 N 0.92 0.00 -0.71 1.25 2.35 -0.49 -2.67 115.58 116.23 2c0s h ASN 43 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2c0s h ASN 43 Cb 0.68 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 2c0s h ASN 43 CO 0.05 0.12 0.26 -0.07 -1.65 0.00 0.00 177.43 176.14 2c0s h LEU 44 N 0.00 1.00 -0.35 1.61 3.38 -0.79 0.16 115.31 120.32 2c0s h LEU 44 Ca -0.00 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2c0s h LEU 44 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2c0s h LEU 44 CO 0.02 0.91 -0.24 -0.07 0.09 0.00 0.00 178.44 179.15 2c0s h LEU 45 N 1.05 0.82 -0.70 1.67 4.07 -1.52 -1.01 115.31 119.70 2c0s h LEU 45 Ca 0.24 -0.43 0.02 0.00 0.08 0.00 0.00 57.88 57.79 2c0s h LEU 45 Cb 0.24 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2c0s h LEU 45 CO -0.02 1.08 0.45 0.40 -1.08 0.00 0.00 178.44 179.27 2c0s h ILE 46 N 0.57 1.13 0.14 1.22 2.04 -1.35 -0.65 117.51 120.60 2c0s h ILE 46 Ca 0.07 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2c0s h ILE 46 Cb 0.80 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2c0s h ILE 46 CO 0.07 0.16 -0.07 -0.08 0.00 0.00 0.00 178.15 178.23 2c0s h GLU 47 N 0.89 -0.19 -0.55 2.37 4.81 -0.55 -1.49 114.58 119.87 2c0s h GLU 47 Ca 0.27 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2c0s h GLU 47 Cb -0.03 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2c0s h GLU 47 CO -0.09 -0.05 0.30 1.25 -0.73 0.00 0.00 179.01 179.69 2c0s h LEU 48 N -0.28 0.67 0.04 1.64 5.85 -0.74 0.17 115.31 122.67 2c0s h LEU 48 Ca -0.02 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c0s h LEU 48 Cb 0.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2c0s h LEU 48 CO 0.03 0.55 -0.02 0.11 -0.34 0.00 0.00 178.44 178.77 2c0s h LYS 49 N 0.77 -0.05 0.00 1.25 1.79 -1.05 -3.27 116.57 116.01 2c0s h LYS 49 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2c0s h LYS 49 Cb 0.02 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2c0s h LYS 49 CO -0.03 0.53 0.00 1.15 -1.08 0.00 0.00 179.45 180.02 2c0s h THR 50 N -0.67 0.00 -0.57 -0.16 2.02 -1.00 -2.84 112.91 109.68 2c0s h THR 50 Ca -0.01 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.82 2c0s h THR 50 Cb 0.60 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2c0s h THR 50 CO 0.01 0.00 0.39 0.50 0.37 0.00 0.00 175.52 176.78 2c0s h LYS 51 N 0.00 0.41 0.00 6.66 1.63 -0.70 -3.45 116.57 121.12 2c0s h LYS 51 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2c0s h LYS 51 Cb 0.48 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2c0s h LYS 51 CO 0.00 0.27 0.00 0.36 -3.45 0.00 0.00 179.45 176.63 2c0s n LYS 52 N -4.47 0.00 -0.21 1.90 2.85 -1.07 -4.73 118.16 112.43 2c0s n LYS 52 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2c0s n LYS 52 Cb 0.33 -3.03 0.00 0.00 -0.65 0.00 0.00 35.03 31.69 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 -1.19 0.93 -3.31 -1.58 2.85 -1.26 -4.78 118.16 109.82 2c0s n LYS 53 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2c0s n LYS 53 Cb 0.00 -1.03 -0.08 0.00 -0.65 0.00 0.00 35.03 33.26 2c0s n LYS 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2c0s s ARG 54 N 0.10 3.69 0.66 -1.58 0.52 -1.26 -4.92 118.95 116.16 2c0s s ARG 54 Ca 0.00 -0.17 0.38 0.00 -0.52 0.00 0.00 55.73 55.42 2c0s s ARG 54 Cb 0.00 -3.77 2.09 0.00 0.52 0.00 0.00 34.95 33.78 2c0s s ARG 54 CO 0.00 -0.54 2.19 0.10 0.02 0.00 0.00 175.30 177.07 2c0s h TYR 55 N 8.39 0.00 0.00 -0.53 -0.00 -1.96 0.18 116.97 123.05 2c0s h TYR 55 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.38 2c0s h TYR 55 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.86 2c0s h TYR 55 CO 0.72 0.00 -0.27 0.66 -0.00 0.00 0.00 178.16 179.27 2c0s h SER 56 N 0.00 0.00 0.41 0.10 4.64 -1.91 0.35 113.55 117.14 2c0s h SER 56 Ca 0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 2c0s h SER 56 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2c0s h SER 56 CO -0.00 0.27 -1.58 -0.07 -0.87 0.00 0.00 176.83 174.58 2c0s h LEU 57 N 0.00 0.40 -0.01 5.97 3.38 -0.98 -3.30 115.31 120.78 2c0s h LEU 57 Ca -0.00 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2c0s h LEU 57 Cb 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2c0s h LEU 57 CO 0.04 1.48 -0.14 -0.07 0.09 0.00 0.00 178.44 179.84 2c0s h LEU 58 N 0.07 0.14 -6.38 1.67 3.38 -1.16 -3.41 115.31 109.61 2c0s h LEU 58 Ca -0.26 -0.75 -0.59 0.00 0.09 0.00 0.00 57.88 56.37 2c0s h LEU 58 Cb 2.02 -0.04 -0.39 0.00 0.09 0.00 0.00 40.66 42.35 2c0s h LEU 58 CO 0.16 0.87 -0.95 -1.84 0.09 0.00 0.00 178.44 176.76 2c0s n GLU 59 N -4.60 0.43 -0.31 1.13 0.28 0.12 -4.81 120.64 112.89 2c0s n GLU 59 Ca -0.09 -3.32 0.09 0.00 -0.16 0.00 0.00 57.16 53.68 2c0s n GLU 59 Cb 0.44 -1.68 0.26 0.00 1.43 0.00 0.00 31.44 31.89 2c0s n GLU 59 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2c0s n HIS 60 N 2.56 0.80 -2.62 -1.84 1.44 -1.24 -4.65 115.22 109.65 2c0s n HIS 60 Ca 0.28 -0.51 -0.42 0.00 -2.01 0.00 0.00 57.72 55.07 2c0s n HIS 60 Cb 0.47 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.53 2c0s n HIS 60 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2c0s s HIS 61 N -1.03 3.62 -1.08 -1.40 5.04 -1.26 -4.95 115.29 114.22 2c0s s HIS 61 Ca 0.39 1.61 -0.20 0.00 -1.54 0.00 0.00 55.06 55.32 2c0s s HIS 61 Cb 0.21 -3.20 0.09 0.00 0.04 0.00 0.00 32.58 29.72 2c0s s HIS 61 CO 0.26 -0.35 1.43 -1.01 -2.34 0.00 0.00 174.74 172.74 2c0s s HIS 62 N 0.77 2.86 -0.12 3.88 0.09 -1.26 -4.95 115.29 116.56 2c0s s HIS 62 Ca 0.53 -1.32 -0.03 0.00 -0.00 0.00 0.00 55.06 54.24 2c0s s HIS 62 Cb -0.24 -4.56 -0.03 0.00 -0.00 0.00 0.00 32.58 27.75 2c0s s HIS 62 CO 0.29 -1.73 0.01 -3.38 -0.00 0.00 0.00 174.74 169.93 2c0s s HIS 63 N 3.80 3.15 -2.09 1.40 -0.00 -1.26 -5.31 115.29 114.98 2c0s s HIS 63 Ca 0.44 0.06 0.17 0.00 -0.00 0.00 0.00 55.06 55.72 2c0s s HIS 63 Cb -0.01 -1.89 0.13 0.00 -0.00 0.00 0.00 32.58 30.82 2c0s s HIS 63 CO -0.05 0.29 1.03 0.72 -0.00 0.00 0.00 174.74 176.73