#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 0.74 0.45 7.83 -0.87 -1.26 -5.02 114.94 116.81 2c0s s ASN 2 Ca 0.00 -0.04 0.23 0.00 -1.57 0.00 0.00 52.86 51.47 2c0s s ASN 2 Cb 0.00 -0.29 1.03 0.00 -0.02 0.00 0.00 41.25 41.97 2c0s s ASN 2 CO 0.00 -0.12 1.89 -0.37 -2.57 0.00 0.00 177.10 175.93 2c0s h VAL 3 N 6.25 0.70 -0.29 1.60 -1.51 -1.98 -1.23 116.25 119.79 2c0s h VAL 3 Ca -0.36 -1.03 -0.11 0.00 -1.23 0.00 0.00 66.70 63.98 2c0s h VAL 3 Cb 1.13 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 2c0s h VAL 3 CO 0.42 0.23 -0.28 0.00 -1.23 0.00 0.00 177.57 176.71 2c0s h THR 4 N 0.00 1.28 -0.01 7.19 1.03 -1.99 0.10 112.91 120.51 2c0s h THR 4 Ca -0.00 -1.36 -0.15 0.00 -0.01 0.00 0.00 66.41 64.89 2c0s h THR 4 Cb 0.63 1.36 -0.02 0.00 -1.07 0.00 0.00 68.15 69.06 2c0s h THR 4 CO 0.03 0.44 -0.69 0.11 -0.01 0.00 0.00 175.52 175.39 2c0s h LYS 5 N 0.50 0.07 -0.04 0.00 6.56 -1.82 -0.43 116.57 121.42 2c0s h LYS 5 Ca 0.07 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2c0s h LYS 5 Cb 0.74 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.41 2c0s h LYS 5 CO 0.06 0.74 0.02 1.25 -2.06 0.00 0.00 179.45 179.46 2c0s h LEU 6 N 0.05 0.05 -0.81 2.94 5.85 -0.80 -1.38 115.31 121.21 2c0s h LEU 6 Ca -0.01 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2c0s h LEU 6 Cb 1.23 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2c0s h LEU 6 CO 0.10 0.13 0.51 -1.13 -0.34 0.00 0.00 178.44 177.70 2c0s h ASN 7 N -0.03 0.83 -0.71 1.25 -1.24 -0.61 -0.43 115.58 114.64 2c0s h ASN 7 Ca 0.01 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.06 2c0s h ASN 7 Cb 0.09 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 2c0s h ASN 7 CO -0.00 0.56 0.44 -0.78 -1.29 0.00 0.00 177.43 176.36 2c0s h ASP 8 N 0.98 0.73 -0.58 1.15 1.82 -0.85 0.69 116.42 120.35 2c0s h ASP 8 Ca 0.33 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.93 2c0s h ASP 8 Cb 0.06 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 2c0s h ASP 8 CO -0.13 0.50 0.18 0.03 -1.61 0.00 0.00 179.24 178.21 2c0s h ARG 9 N 0.87 0.91 -0.69 0.28 3.08 -0.41 -1.55 114.38 116.85 2c0s h ARG 9 Ca 0.28 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2c0s h ARG 9 Cb 0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2c0s h ARG 9 CO -0.11 0.82 0.31 0.82 -1.07 0.00 0.00 179.97 180.74 2c0s h ILE 10 N 0.82 1.24 -0.65 2.04 2.04 -0.36 1.00 117.51 123.64 2c0s h ILE 10 Ca 0.19 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 2c0s h ILE 10 Cb 0.29 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2c0s h ILE 10 CO -0.01 0.29 0.06 -0.08 0.00 0.00 0.00 178.15 178.41 2c0s h GLU 11 N 0.97 1.11 0.00 2.37 4.81 -0.69 -0.37 114.58 122.78 2c0s h GLU 11 Ca 0.24 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2c0s h GLU 11 Cb 0.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2c0s h GLU 11 CO -0.03 1.04 -0.20 0.00 -0.73 0.00 0.00 179.01 179.09 2c0s h ALA 12 N 1.03 1.16 0.03 2.92 0.00 -0.84 -2.20 119.26 121.36 2c0s h ALA 12 Ca 0.19 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2c0s h ALA 12 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2c0s h ALA 12 CO 0.02 0.25 -0.99 -0.22 0.00 0.00 0.00 179.25 178.31 2c0s h LYS 13 N 0.00 0.25 -0.11 0.00 1.63 0.30 -1.68 116.57 116.96 2c0s h LYS 13 Ca -0.00 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 2c0s h LYS 13 Cb 0.56 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2c0s h LYS 13 CO 0.03 1.06 0.04 0.87 -3.45 0.00 0.00 179.45 178.00 2c0s h LYS 14 N 0.12 0.17 -0.05 1.90 1.57 -0.55 0.31 116.57 120.04 2c0s h LYS 14 Ca -0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2c0s h LYS 14 Cb 1.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 2c0s h LYS 14 CO 0.16 0.28 -0.22 0.87 -0.57 0.00 0.00 179.45 179.97 2c0s h LYS 15 N 0.02 0.09 -0.19 3.15 1.79 -1.40 0.00 116.57 120.03 2c0s h LYS 15 Ca 0.04 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 2c0s h LYS 15 Cb 0.17 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2c0s h LYS 15 CO -0.00 0.31 -0.18 1.49 -1.08 0.00 0.00 179.45 179.98 2c0s h GLU 16 N 0.08 0.45 -0.48 3.15 4.81 -0.94 -1.70 114.58 119.95 2c0s h GLU 16 Ca 0.01 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 2c0s h GLU 16 Cb 0.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2c0s h GLU 16 CO 0.03 0.81 0.07 -0.07 -0.73 0.00 0.00 179.01 179.12 2c0s h LEU 17 N 0.11 0.71 -0.13 1.64 3.38 -0.36 0.28 115.31 120.95 2c0s h LEU 17 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2c0s h LEU 17 Cb 0.73 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2c0s h LEU 17 CO 0.05 0.74 0.07 0.40 0.09 0.00 0.00 178.44 179.78 2c0s h ILE 18 N 0.72 1.11 0.18 1.22 2.04 -0.81 0.11 117.51 122.08 2c0s h ILE 18 Ca 0.15 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2c0s h ILE 18 Cb 0.34 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2c0s h ILE 18 CO 0.01 0.10 -0.09 0.22 0.00 0.00 0.00 178.15 178.38 2c0s h TYR 19 N 0.09 -0.23 -0.35 1.37 3.20 -0.97 -2.86 116.97 117.22 2c0s h TYR 19 Ca 0.04 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2c0s h TYR 19 Cb 0.10 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2c0s h TYR 19 CO -0.04 -0.01 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.33 2c0s h LEU 20 N -0.42 0.55 -0.64 2.82 3.38 -0.40 -1.37 115.31 119.24 2c0s h LEU 20 Ca -0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2c0s h LEU 20 Cb 0.32 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2c0s h LEU 20 CO 0.04 0.67 -0.04 1.62 0.09 0.00 0.00 178.44 180.83 2c0s h VAL 21 N 0.54 1.26 -0.33 1.22 3.04 -0.76 0.20 116.25 121.43 2c0s h VAL 21 Ca 0.10 -1.18 -0.13 0.00 -1.01 0.00 0.00 66.70 64.48 2c0s h VAL 21 Cb 0.46 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 2c0s h VAL 21 CO 0.02 0.42 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.34 2c0s h GLU 22 N 0.93 0.72 0.17 4.17 5.08 -1.24 -0.11 114.58 124.30 2c0s h GLU 22 Ca 0.16 -0.34 -0.31 0.00 -1.00 0.00 0.00 59.36 57.87 2c0s h GLU 22 Cb 0.59 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.86 2c0s h GLU 22 CO 0.04 0.95 -1.32 0.87 -1.00 0.00 0.00 179.01 178.55 2c0s h LYS 23 N 0.61 0.54 0.13 2.33 1.79 -0.87 -3.36 116.57 117.74 2c0s h LYS 23 Ca 0.06 -0.81 -0.30 0.00 -2.18 0.00 0.00 60.65 57.43 2c0s h LYS 23 Cb 0.86 0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2c0s h LYS 23 CO 0.07 1.37 -1.53 1.88 -1.08 0.00 0.00 179.45 180.17 2c0s h TYR 24 N 0.21 0.52 0.00 -1.35 0.05 -0.69 -3.51 116.97 112.20 2c0s h TYR 24 Ca -0.20 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.20 2c0s h TYR 24 Cb 2.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.72 2c0s h TYR 24 CO 0.11 1.60 0.00 0.41 -1.05 0.00 0.00 178.16 179.23 2c0s n GLY 25 N 1.79 4.45 3.70 3.88 0.00 -0.06 -5.01 105.19 113.94 2c0s n GLY 25 Ca -0.25 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.60 3.19 -0.28 1.61 0.08 -1.19 -3.73 117.98 116.06 2c0s s PHE 26 Ca 0.00 1.06 -0.08 0.00 0.12 0.00 0.00 56.93 58.04 2c0s s PHE 26 Cb 0.00 -3.56 0.01 0.00 -0.57 0.00 0.00 43.02 38.90 2c0s s PHE 26 CO 0.00 -1.90 0.28 2.41 -0.10 0.00 0.00 175.22 175.91 2c0s n THR 27 N 4.22 -8.86 -4.23 0.64 -1.04 -1.26 -5.08 114.28 98.67 2c0s n THR 27 Ca 0.11 0.90 -0.17 0.00 -2.04 0.00 0.00 64.05 62.85 2c0s n THR 27 Cb 0.45 -6.31 -0.14 0.00 -1.82 0.00 0.00 70.33 62.51 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 -1.82 0.72 0.28 -1.42 5.04 -1.24 -5.06 115.29 111.78 2c0s s HIS 28 Ca 0.12 -0.23 0.01 0.00 -1.54 0.00 0.00 55.06 53.41 2c0s s HIS 28 Cb -0.03 -0.45 0.54 0.00 0.04 0.00 0.00 32.58 32.68 2c0s s HIS 28 CO 0.56 -0.02 1.83 1.12 -2.34 0.00 0.00 174.74 175.90 2c0s h HIS 29 N 5.51 1.12 -0.34 3.88 2.07 -1.98 -2.06 115.15 123.35 2c0s h HIS 29 Ca -0.32 0.03 -0.17 0.00 -2.85 0.00 0.00 60.37 57.07 2c0s h HIS 29 Cb 1.19 -0.35 -0.00 0.00 2.57 0.00 0.00 27.41 30.81 2c0s h HIS 29 CO 0.47 0.44 -0.45 0.87 -3.07 0.00 0.00 177.93 176.20 2c0s h LYS 30 N 0.98 0.91 -0.14 5.12 1.57 -1.99 -2.79 116.57 120.23 2c0s h LYS 30 Ca 0.49 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2c0s h LYS 30 Cb 0.48 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2c0s h LYS 30 CO -0.26 1.17 -0.34 -0.39 -0.57 0.00 0.00 179.45 179.05 2c0s h VAL 31 N 0.71 1.28 -0.66 0.50 -1.51 -1.78 -0.74 116.25 114.05 2c0s h VAL 31 Ca 0.04 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.12 2c0s h VAL 31 Cb 1.05 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 2c0s h VAL 31 CO 0.11 0.41 0.32 0.40 -1.23 0.00 0.00 177.57 177.58 2c0s h ILE 32 N 0.25 1.22 -0.64 7.19 2.04 -1.34 0.17 117.51 126.40 2c0s h ILE 32 Ca 0.03 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 2c0s h ILE 32 Cb 0.73 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2c0s h ILE 32 CO 0.06 0.26 0.14 0.28 0.00 0.00 0.00 178.15 178.89 2c0s h SER 33 N 0.92 0.98 -0.29 1.72 0.02 -1.08 -1.31 113.55 114.50 2c0s h SER 33 Ca 0.23 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2c0s h SER 33 Cb 0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2c0s h SER 33 CO -0.03 0.96 -0.14 -0.26 -1.14 0.00 0.00 176.83 176.22 2c0s h PHE 34 N 0.94 0.80 -0.52 3.45 0.04 -0.68 -2.34 116.94 118.64 2c0s h PHE 34 Ca 0.20 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2c0s h PHE 34 Cb 0.37 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 2c0s h PHE 34 CO 0.03 0.83 0.16 1.03 -0.60 0.00 0.00 178.31 179.75 2c0s h SER 35 N 0.65 0.76 -0.20 2.17 0.87 -0.34 -0.15 113.55 117.30 2c0s h SER 35 Ca 0.11 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 2c0s h SER 35 Cb 0.61 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2c0s h SER 35 CO 0.04 0.77 -0.00 1.56 -0.53 0.00 0.00 176.83 178.67 2c0s h GLN 36 N 0.71 0.48 -0.11 2.24 4.20 -0.99 0.21 115.11 121.85 2c0s h GLN 36 Ca 0.17 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2c0s h GLN 36 Cb 0.28 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2c0s h GLN 36 CO -0.00 0.51 -0.07 0.93 -0.67 0.00 0.00 178.83 179.52 2c0s h GLU 37 N 0.46 0.24 -0.77 1.46 4.39 -1.05 -1.18 114.58 118.13 2c0s h GLU 37 Ca 0.10 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2c0s h GLU 37 Cb 0.31 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2c0s h GLU 37 CO 0.01 0.61 0.48 1.25 -1.16 0.00 0.00 179.01 180.20 2c0s h LEU 38 N -0.14 0.78 -0.78 1.33 6.46 -0.57 -0.15 115.31 122.23 2c0s h LEU 38 Ca 0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2c0s h LEU 38 Cb 0.55 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2c0s h LEU 38 CO 0.02 0.53 0.37 -0.78 -0.62 0.00 0.00 178.44 177.95 2c0s h ASP 39 N 0.92 1.04 -0.32 1.25 3.58 -0.54 0.23 116.42 122.58 2c0s h ASP 39 Ca 0.32 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 2c0s h ASP 39 Cb 0.06 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2c0s h ASP 39 CO -0.13 0.89 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.84 2c0s h ARG 40 N 1.11 0.69 -0.32 0.28 2.43 -0.39 -0.09 114.38 118.09 2c0s h ARG 40 Ca 0.27 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2c0s h ARG 40 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2c0s h ARG 40 CO -0.03 0.92 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.02 2c0s h LEU 41 N 0.45 0.65 -0.79 3.80 4.07 -0.78 -1.50 115.31 121.21 2c0s h LEU 41 Ca 0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 2c0s h LEU 41 Cb 0.73 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 2c0s h LEU 41 CO 0.05 0.89 0.46 0.25 -1.08 0.00 0.00 178.44 179.01 2c0s h LEU 42 N 0.55 0.95 -1.33 1.67 5.85 -0.37 -1.89 115.31 120.74 2c0s h LEU 42 Ca 0.07 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2c0s h LEU 42 Cb 0.74 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2c0s h LEU 42 CO 0.06 0.75 0.01 -1.13 -0.34 0.00 0.00 178.44 177.78 2c0s h ASN 43 N 1.08 0.42 -0.85 1.25 -0.00 -0.53 -2.41 115.58 114.54 2c0s h ASN 43 Ca 0.28 -0.07 0.07 0.00 -0.00 0.00 0.00 56.30 56.59 2c0s h ASN 43 Cb -0.02 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.12 2c0s h ASN 43 CO -0.05 0.48 0.51 -0.07 -0.00 0.00 0.00 177.43 178.30 2c0s h LEU 44 N 0.44 0.78 -1.09 0.34 3.38 -0.44 0.50 115.31 119.21 2c0s h LEU 44 Ca 0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2c0s h LEU 44 Cb 0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2c0s h LEU 44 CO 0.01 0.48 0.50 -0.07 0.09 0.00 0.00 178.44 179.44 2c0s h LEU 45 N 0.90 0.99 0.03 1.67 3.38 -1.33 0.71 115.31 121.67 2c0s h LEU 45 Ca 0.38 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2c0s h LEU 45 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2c0s h LEU 45 CO -0.20 0.76 -0.01 0.40 0.09 0.00 0.00 178.44 179.48 2c0s h ILE 46 N 1.14 1.40 0.10 1.22 2.04 -1.25 -3.18 117.51 118.97 2c0s h ILE 46 Ca 0.30 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2c0s h ILE 46 Cb -0.05 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2c0s h ILE 46 CO -0.06 0.38 -0.20 -0.08 0.00 0.00 0.00 178.15 178.20 2c0s h GLU 47 N -0.73 -0.36 -0.88 2.37 4.81 0.21 -0.93 114.58 119.07 2c0s h GLU 47 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2c0s h GLU 47 Cb 0.65 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 2c0s h GLU 47 CO 0.01 -0.24 0.58 -0.07 -0.73 0.00 0.00 179.01 178.56 2c0s h LEU 48 N -0.37 1.00 -0.77 1.64 -0.00 -1.01 -0.90 115.31 114.91 2c0s h LEU 48 Ca 0.03 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.76 2c0s h LEU 48 Cb 0.39 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2c0s h LEU 48 CO -0.11 0.72 -0.47 0.11 -0.00 0.00 0.00 178.44 178.68 2c0s h LYS 49 N 1.18 0.34 -0.64 1.13 1.57 -1.47 0.28 116.57 118.97 2c0s h LYS 49 Ca 0.33 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2c0s h LYS 49 Cb -0.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2c0s h LYS 49 CO -0.08 0.74 0.04 1.15 -0.57 0.00 0.00 179.45 180.73 2c0s h THR 50 N 0.27 1.27 0.00 -0.16 2.02 -0.33 -3.34 112.91 112.65 2c0s h THR 50 Ca 0.02 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2c0s h THR 50 Cb 0.93 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2c0s h THR 50 CO 0.08 0.41 -0.20 0.07 0.37 0.00 0.00 175.52 176.25 2c0s h LYS 51 N 1.01 0.00 0.00 6.66 2.10 -1.02 -3.46 116.57 121.85 2c0s h LYS 51 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2c0s h LYS 51 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2c0s h LYS 51 CO 0.02 0.00 0.00 0.36 -2.00 0.00 0.00 179.45 177.83 2c0s n LYS 52 N -4.42 0.00 0.05 0.07 2.85 0.98 -4.58 118.16 113.11 2c0s n LYS 52 Ca -0.03 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 2c0s n LYS 52 Cb 0.10 -1.62 0.27 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.44 0.21 -2.92 -1.58 2.85 -1.26 -4.73 118.16 111.17 2c0s n LYS 53 Ca 0.00 0.09 -0.35 0.00 -1.05 0.00 0.00 58.31 56.99 2c0s n LYS 53 Cb 0.00 -1.66 -0.06 0.00 -0.65 0.00 0.00 35.03 32.65 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 -3.11 4.35 0.00 -1.58 1.81 -1.26 -4.94 118.95 114.22 2c0s s ARG 54 Ca 0.08 1.08 0.06 0.00 -1.72 0.00 0.00 55.73 55.23 2c0s s ARG 54 Cb 0.14 -2.66 0.34 0.00 -0.45 0.00 0.00 34.95 32.33 2c0s s ARG 54 CO 0.68 0.24 1.14 0.66 -0.68 0.00 0.00 175.30 177.33 2c0s n TYR 55 N 0.26 0.00 0.09 -0.53 4.01 -1.26 -3.06 117.16 116.66 2c0s n TYR 55 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 2c0s n TYR 55 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 2c0s n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2c0s h SER 56 N 0.00 0.18 0.30 7.72 4.64 -1.86 0.29 113.55 124.82 2c0s h SER 56 Ca 0.00 -0.15 -0.33 0.00 -0.47 0.00 0.00 61.79 60.84 2c0s h SER 56 Cb 0.00 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 61.99 2c0s h SER 56 CO 0.00 0.97 -1.94 0.18 -0.87 0.00 0.00 176.83 175.18 2c0s n LEU 57 N -3.61 1.26 0.03 5.97 4.77 -1.17 -4.60 117.00 119.64 2c0s n LEU 57 Ca -0.03 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2c0s n LEU 57 Cb 0.82 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2c0s n LEU 57 CO 0.47 0.55 0.09 -0.07 -1.33 0.00 0.00 177.39 177.10 2c0s h LEU 58 N 0.02 -0.13 0.00 2.23 3.38 -1.63 -3.48 115.31 115.69 2c0s h LEU 58 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2c0s h LEU 58 Cb 2.05 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2c0s h LEU 58 CO 0.06 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 2c0s n GLU 59 N -3.93 2.96 -2.91 1.13 -0.58 0.09 -5.08 120.64 112.31 2c0s n GLU 59 Ca -0.02 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.35 2c0s n GLU 59 Cb 0.06 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.87 2c0s n GLU 59 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2c0s s HIS 60 N 1.27 3.73 -0.61 -0.32 -3.43 -1.25 -4.54 115.29 110.13 2c0s s HIS 60 Ca 0.00 1.64 -0.09 0.00 -0.80 0.00 0.00 55.06 55.81 2c0s s HIS 60 Cb 0.00 -2.81 0.16 0.00 -1.43 0.00 0.00 32.58 28.50 2c0s s HIS 60 CO 0.00 0.31 0.49 -1.58 -2.00 0.00 0.00 174.74 171.96 2c0s s HIS 61 N -1.49 3.50 -0.20 0.38 2.46 -1.26 -4.76 115.29 113.91 2c0s s HIS 61 Ca 0.45 -2.11 -0.03 0.00 0.47 0.00 0.00 55.06 53.84 2c0s s HIS 61 Cb -0.19 -3.52 0.06 0.00 -0.13 0.00 0.00 32.58 28.80 2c0s s HIS 61 CO 0.24 -0.95 0.05 -1.58 -2.47 0.00 0.00 174.74 170.03 2c0s s HIS 62 N 0.66 0.91 0.03 3.88 5.04 -1.26 -5.05 115.29 119.49 2c0s s HIS 62 Ca 0.12 -0.82 -0.25 0.00 -1.54 0.00 0.00 55.06 52.56 2c0s s HIS 62 Cb -0.20 -1.01 -0.05 0.00 0.04 0.00 0.00 32.58 31.36 2c0s s HIS 62 CO -0.03 -0.62 0.77 -1.58 -2.34 0.00 0.00 174.74 170.94 2c0s s HIS 63 N 1.90 3.71 -2.84 3.88 2.46 -1.26 -5.23 115.29 117.91 2c0s s HIS 63 Ca 0.00 1.46 0.25 0.00 0.47 0.00 0.00 55.06 57.24 2c0s s HIS 63 Cb -0.17 -2.84 0.46 0.00 -0.13 0.00 0.00 32.58 29.91 2c0s s HIS 63 CO -0.10 0.23 1.41 0.72 -2.47 0.00 0.00 174.74 174.53