#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g31 n ILE 2 N 0.00 2.42 -0.05 0.55 2.08 -1.26 -4.67 119.36 118.43 2g31 n ILE 2 Ca 0.00 -4.98 0.02 0.00 0.56 0.00 0.00 62.75 58.35 2g31 n ILE 2 Cb 0.00 -1.28 -0.16 0.00 -0.75 0.00 0.00 39.64 37.46 2g31 n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2g31 n TYR 3 N -0.47 0.00 -2.38 1.39 9.36 -1.26 -4.54 117.16 119.27 2g31 n TYR 3 Ca 0.39 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 61.20 2g31 n TYR 3 Cb 0.64 -0.68 0.01 0.00 -0.63 0.00 0.00 39.34 38.68 2g31 n TYR 3 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2g31 n LYS 4 N -2.44 4.84 -2.22 2.98 2.85 -1.26 -4.74 118.16 118.17 2g31 n LYS 4 Ca -0.16 -4.05 -0.37 0.00 -1.05 0.00 0.00 58.31 52.69 2g31 n LYS 4 Cb 0.80 -2.58 0.02 0.00 -0.65 0.00 0.00 35.03 32.62 2g31 n LYS 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2g31 n GLY 5 N 1.08 5.73 1.48 2.58 0.00 -1.26 -4.24 105.19 110.56 2g31 n GLY 5 Ca 0.51 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2g31 n GLY 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2g31 n VAL 6 N -0.43 0.00 0.22 1.61 3.14 -1.26 -4.86 118.33 116.75 2g31 n VAL 6 Ca 0.48 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.95 2g31 n VAL 6 Cb 0.34 -0.20 0.51 0.00 -1.06 0.00 0.00 33.84 33.43 2g31 n VAL 6 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2g31 h ILE 7 N 0.00 0.68 0.17 1.55 5.03 -1.96 -2.14 117.51 120.84 2g31 h ILE 7 Ca 0.00 -1.04 -0.01 0.00 -0.12 0.00 0.00 64.86 63.69 2g31 h ILE 7 Cb 0.00 1.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.46 2g31 h ILE 7 CO 0.00 0.23 -0.08 -0.61 -0.68 0.00 0.00 178.15 177.01 2g31 h GLN 8 N 0.00 -0.22 0.26 2.37 -0.00 -1.89 0.74 115.11 116.36 2g31 h GLN 8 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2g31 h GLN 8 Cb 0.64 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.18 2g31 h GLN 8 CO 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 178.83 178.72 2g31 h ALA 9 N 0.39 -0.35 -0.23 3.38 0.00 -1.86 -1.76 119.26 118.82 2g31 h ALA 9 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2g31 h ALA 9 Cb 0.32 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2g31 h ALA 9 CO 0.04 -0.61 0.36 0.82 0.00 0.00 0.00 179.25 179.85 2g31 h ILE 10 N -0.53 0.27 0.00 0.00 1.08 -1.38 0.86 117.51 117.80 2g31 h ILE 10 Ca -0.04 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 2g31 h ILE 10 Cb 0.39 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2g31 h ILE 10 CO 0.06 0.00 -0.50 1.56 -0.69 0.00 0.00 178.15 178.58 2g31 h GLN 11 N 0.00 0.00 -0.16 2.37 4.20 0.07 0.37 115.11 121.96 2g31 h GLN 11 Ca 0.11 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2g31 h GLN 11 Cb 0.82 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 2g31 h GLN 11 CO -0.00 0.50 -0.65 0.87 -0.67 0.00 0.00 178.83 178.88 2g31 h LYS 12 N 0.00 0.59 0.00 1.46 1.79 0.94 0.26 116.57 121.61 2g31 h LYS 12 Ca -0.00 -0.42 -0.09 0.00 -2.18 0.00 0.00 60.65 57.95 2g31 h LYS 12 Cb 0.92 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2g31 h LYS 12 CO 0.06 1.04 -0.65 0.77 -1.08 0.00 0.00 179.45 179.59 2g31 h SER 13 N 0.43 0.00 1.17 0.86 0.02 -1.25 0.58 113.55 115.35 2g31 h SER 13 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2g31 h SER 13 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2g31 h SER 13 CO 0.12 0.39 -0.88 0.44 -1.14 0.00 0.00 176.83 175.77 2g31 h ASP 14 N 0.00 0.00 0.04 3.07 5.19 -0.13 -3.32 116.42 121.26 2g31 h ASP 14 Ca -0.04 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.17 2g31 h ASP 14 Cb 1.33 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.80 2g31 h ASP 14 CO 0.05 0.58 -2.17 -0.62 -3.12 0.00 0.00 179.24 173.95 2g31 n GLU 15 N -3.12 0.67 -1.35 3.56 1.02 0.91 -4.40 120.64 117.93 2g31 n GLU 15 Ca -0.02 -0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 56.79 2g31 n GLU 15 Cb 0.79 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 2g31 n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g31 n GLY 16 N 1.52 4.39 3.58 0.62 0.00 0.20 -4.90 105.19 110.61 2g31 n GLY 16 Ca -0.20 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 2g31 n GLY 16 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2g31 s HIS 17 N -1.91 2.31 0.00 1.61 3.76 -1.26 -4.86 115.29 114.95 2g31 s HIS 17 Ca 0.52 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2g31 s HIS 17 Cb 0.36 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.43 2g31 s HIS 17 CO -0.17 0.30 0.00 -0.35 -0.85 0.00 0.00 174.74 173.67 2g31 n PRO 18 N -0.91 0.35 0.22 8.40 -0.04 -1.26 -4.62 135.00 137.14 2g31 n PRO 18 Ca -0.05 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.56 2g31 n PRO 18 Cb 0.67 0.00 0.62 0.00 -0.04 0.00 0.00 33.50 34.74 2g31 n PRO 18 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2g31 h PHE 19 N -0.68 0.00 -1.00 0.54 -1.00 -2.01 0.36 116.94 113.15 2g31 h PHE 19 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2g31 h PHE 19 Cb 0.00 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.50 2g31 h PHE 19 CO 0.00 0.00 0.65 0.00 -1.61 0.00 0.00 178.31 177.35 2g31 h ARG 20 N 0.00 1.21 0.00 1.51 3.08 -2.01 0.13 114.38 118.30 2g31 h ARG 20 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2g31 h ARG 20 Cb 1.22 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2g31 h ARG 20 CO -0.00 0.80 -0.05 0.00 -1.07 0.00 0.00 179.97 179.65 2g31 h ALA 21 N 1.43 1.53 -0.06 0.04 0.00 -0.52 -0.55 119.26 121.12 2g31 h ALA 21 Ca 0.40 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.29 2g31 h ALA 21 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2g31 h ALA 21 CO -0.13 0.06 0.06 -0.92 0.00 0.00 0.00 179.25 178.32 2g31 h TYR 22 N 0.00 0.00 0.00 0.00 3.20 -0.82 0.95 116.97 120.30 2g31 h TYR 22 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2g31 h TYR 22 Cb 0.12 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2g31 h TYR 22 CO 0.00 0.00 -0.07 1.25 -1.64 0.00 0.00 178.16 177.70 2g31 h LEU 23 N 0.00 0.00 -1.94 2.82 7.12 -1.16 -3.30 115.31 118.86 2g31 h LEU 23 Ca 0.03 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2g31 h LEU 23 Cb 0.15 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2g31 h LEU 23 CO -0.00 0.77 -0.10 1.05 -0.13 0.00 0.00 178.44 180.03 2g31 h GLU 24 N -1.00 0.00 -0.24 1.25 -0.00 -1.42 -2.53 114.58 110.64 2g31 h GLU 24 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.40 2g31 h GLU 24 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.22 2g31 h GLU 24 CO -0.01 0.10 -0.08 0.77 -0.00 0.00 0.00 179.01 179.80 2g31 h SER 25 N 0.00 -0.27 -0.34 3.06 0.02 0.84 0.42 113.55 117.27 2g31 h SER 25 Ca -0.00 0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 2g31 h SER 25 Cb 0.22 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2g31 h SER 25 CO 0.01 -0.10 0.32 -0.33 -1.14 0.00 0.00 176.83 175.59 2g31 h GLU 26 N -0.03 0.00 0.04 3.45 5.08 -1.52 0.83 114.58 122.43 2g31 h GLU 26 Ca 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2g31 h GLU 26 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2g31 h GLU 26 CO -0.26 0.00 -0.39 0.28 -1.00 0.00 0.00 179.01 177.63 2g31 h VAL 27 N 0.00 1.60 0.00 3.13 2.07 -0.75 -3.24 116.25 119.06 2g31 h VAL 27 Ca 0.16 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 2g31 h VAL 27 Cb 0.80 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2g31 h VAL 27 CO -0.00 0.61 -0.06 0.00 0.02 0.00 0.00 177.57 178.14 2g31 h ALA 28 N -0.03 1.17 -0.05 1.67 0.00 0.11 -0.58 119.26 121.55 2g31 h ALA 28 Ca -0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2g31 h ALA 28 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2g31 h ALA 28 CO 0.02 0.07 -0.40 0.97 0.00 0.00 0.00 179.25 179.91 2g31 h ILE 29 N 0.00 1.30 0.00 0.00 -0.00 0.57 -2.18 117.51 117.20 2g31 h ILE 29 Ca -0.00 -1.43 -0.09 0.00 -0.00 0.00 0.00 64.86 63.34 2g31 h ILE 29 Cb 0.26 1.71 -0.01 0.00 -0.00 0.00 0.00 36.82 38.77 2g31 h ILE 29 CO 0.01 0.42 -0.42 0.28 -0.00 0.00 0.00 178.15 178.43 2g31 h SER 30 N 0.09 0.00 0.06 2.19 0.02 -1.13 -2.71 113.55 112.07 2g31 h SER 30 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2g31 h SER 30 Cb 0.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 2g31 h SER 30 CO 0.06 0.42 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.06 2g31 h GLU 31 N 0.00 0.00 0.03 3.45 4.57 -1.31 -0.85 114.58 120.47 2g31 h GLU 31 Ca -0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.92 2g31 h GLU 31 Cb 0.94 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 2g31 h GLU 31 CO 0.06 0.03 -1.29 0.93 -1.18 0.00 0.00 179.01 177.55 2g31 h GLU 32 N 0.00 0.06 -0.61 1.92 5.08 -1.53 -3.32 114.58 116.18 2g31 h GLU 32 Ca -0.00 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2g31 h GLU 32 Cb 0.07 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.27 2g31 h GLU 32 CO 0.00 0.91 0.09 -0.07 -1.00 0.00 0.00 179.01 178.94 2g31 h LEU 33 N 0.02 -0.08 -2.26 1.33 -0.00 -1.10 1.08 115.31 114.30 2g31 h LEU 33 Ca -0.13 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2g31 h LEU 33 Cb 1.89 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 42.74 2g31 h LEU 33 CO 0.13 -0.03 -0.05 1.62 -0.00 0.00 0.00 178.44 180.10 2g31 h VAL 34 N 0.21 0.47 0.00 1.22 3.04 -1.64 0.15 116.25 119.70 2g31 h VAL 34 Ca 0.32 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 2g31 h VAL 34 Cb 0.50 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2g31 h VAL 34 CO -0.44 0.05 0.00 -0.61 -1.01 0.00 0.00 177.57 175.56 2g31 h GLN 35 N 0.00 0.00 0.00 4.17 5.75 0.10 -3.03 115.11 122.10 2g31 h GLN 35 Ca -0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 2g31 h GLN 35 Cb 0.16 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2g31 h GLN 35 CO 0.01 0.00 -0.58 -0.22 -2.65 0.00 0.00 178.83 175.39 2g31 h LYS 36 N 0.00 0.00 -0.16 1.69 3.64 0.94 -3.18 116.57 119.49 2g31 h LYS 36 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2g31 h LYS 36 Cb 0.92 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2g31 h LYS 36 CO 0.00 0.56 0.24 -0.92 -2.27 0.00 0.00 179.45 177.05 2g31 h TYR 37 N 0.00 0.00 0.17 1.91 3.20 -1.37 1.75 116.97 122.63 2g31 h TYR 37 Ca -0.01 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.55 2g31 h TYR 37 Cb 1.43 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.73 2g31 h TYR 37 CO 0.00 0.00 -1.32 1.03 -1.64 0.00 0.00 178.16 176.23 2g31 h SER 38 N 0.00 0.81 0.76 -2.11 0.87 -1.72 0.17 113.55 112.33 2g31 h SER 38 Ca 0.08 -0.80 -0.25 0.00 -1.23 0.00 0.00 61.79 59.59 2g31 h SER 38 Cb 0.55 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2g31 h SER 38 CO -0.00 1.61 -1.24 -1.13 -0.53 0.00 0.00 176.83 175.53 2g31 h ASN 39 N 0.21 0.14 1.38 6.23 -0.73 -0.95 -3.26 115.58 118.59 2g31 h ASN 39 Ca -0.20 -0.17 -0.13 0.00 1.87 0.00 0.00 56.30 57.66 2g31 h ASN 39 Cb 2.01 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 40.53 2g31 h ASN 39 CO 0.25 1.14 -0.62 0.28 -0.37 0.00 0.00 177.43 178.11 2g31 h SER 40 N 0.02 0.00 -0.30 1.15 0.02 0.24 -3.19 113.55 111.50 2g31 h SER 40 Ca -0.11 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2g31 h SER 40 Cb 1.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.41 2g31 h SER 40 CO 0.14 0.62 0.68 0.00 -1.14 0.00 0.00 176.83 177.13 2g31 h ALA 41 N 1.38 1.99 0.00 3.77 0.00 -0.69 -2.57 119.26 123.14 2g31 h ALA 41 Ca -0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2g31 h ALA 41 Cb 1.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2g31 h ALA 41 CO 0.08 -0.83 1.61 1.28 0.00 0.00 0.00 179.25 181.39 2g31 n LEU 42 N -3.08 5.40 0.00 0.00 4.77 -1.21 -3.73 117.00 119.15 2g31 n LEU 42 Ca 0.06 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 2g31 n LEU 42 Cb 0.79 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2g31 n LEU 42 CO 0.16 1.22 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2g31 n GLY 43 N 3.19 0.55 7.00 -0.72 0.00 -0.97 -5.04 105.19 109.20 2g31 n GLY 43 Ca 0.47 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2g31 n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2g31 n HIS 44 N 0.00 0.00 0.00 1.61 8.25 -1.23 -4.73 115.22 119.12 2g31 n HIS 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2g31 n HIS 44 Cb 0.00 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2g31 n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2g31 n VAL 45 N 0.00 0.00 0.33 1.59 0.31 -1.26 -3.45 118.33 115.85 2g31 n VAL 45 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 2g31 n VAL 45 Cb 0.00 0.00 0.90 0.00 -0.91 0.00 0.00 33.84 33.83 2g31 n VAL 45 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2g31 h ASN 46 N 0.00 0.00 0.65 4.52 7.08 -1.83 1.85 115.58 127.84 2g31 h ASN 46 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 2g31 h ASN 46 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 2g31 h ASN 46 CO 0.00 0.00 -1.49 0.00 -2.08 0.00 0.00 177.43 173.86 2g31 h THR 48 N 0.00 1.15 0.06 0.00 2.02 0.14 -3.05 112.91 113.23 2g31 h THR 48 Ca -0.19 -2.40 -0.00 0.00 0.77 0.00 0.00 66.41 64.58 2g31 h THR 48 Cb 1.69 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.90 2g31 h THR 48 CO 0.05 0.67 -0.03 0.16 0.37 0.00 0.00 175.52 176.74 2g31 h ILE 49 N -0.41 1.00 -0.09 3.11 -0.00 0.20 -1.08 117.51 120.25 2g31 h ILE 49 Ca -0.26 -0.21 0.04 0.00 -0.00 0.00 0.00 64.86 64.43 2g31 h ILE 49 Cb 1.66 1.14 -0.06 0.00 -0.00 0.00 0.00 36.82 39.57 2g31 h ILE 49 CO 0.05 0.05 -0.30 0.11 -0.00 0.00 0.00 178.15 178.06 2g31 h LYS 50 N -0.18 -0.39 0.00 0.16 1.57 -1.69 1.72 116.57 117.76 2g31 h LYS 50 Ca -0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2g31 h LYS 50 Cb 0.15 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2g31 h LYS 50 CO 0.01 -0.26 0.06 1.49 -0.57 0.00 0.00 179.45 180.18 2g31 h GLU 51 N -0.40 0.00 0.05 3.15 4.81 -1.41 1.75 114.58 122.53 2g31 h GLU 51 Ca 0.09 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.96 2g31 h GLU 51 Cb 0.53 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2g31 h GLU 51 CO -0.31 0.00 -2.10 -0.11 -0.73 0.00 0.00 179.01 175.75 2g31 n LEU 52 N -2.52 1.99 -0.01 1.64 0.00 0.20 -3.33 117.00 114.97 2g31 n LEU 52 Ca -0.02 0.14 -0.01 0.00 0.00 0.00 0.00 56.01 56.13 2g31 n LEU 52 Cb 0.10 -0.57 -0.00 0.00 0.00 0.00 0.00 43.42 42.94 2g31 n LEU 52 CO 0.12 0.73 -0.05 -0.09 0.00 0.00 0.00 177.39 178.10 2g31 h ARG 53 N 0.03 0.00 -0.18 1.96 1.12 0.46 -3.42 114.38 114.35 2g31 h ARG 53 Ca -0.45 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.26 2g31 h ARG 53 Cb 2.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.99 2g31 h ARG 53 CO 0.04 0.00 -0.51 -0.09 -3.11 0.00 0.00 179.97 176.30 2g31 h ARG 54 N -0.16 0.66 -0.03 0.20 9.65 0.20 -3.47 114.38 121.44 2g31 h ARG 54 Ca 0.00 -0.47 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2g31 h ARG 54 Cb 0.08 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2g31 h ARG 54 CO 0.00 1.09 -0.01 1.28 2.80 0.00 0.00 179.97 185.13 2g31 n LEU 55 N -4.16 0.26 0.00 3.80 4.77 0.25 -4.63 117.00 117.29 2g31 n LEU 55 Ca -0.06 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2g31 n LEU 55 Cb 0.60 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 2g31 n LEU 55 CO 0.48 -0.35 0.00 0.33 -1.33 0.00 0.00 177.39 176.52 2g31 n PHE 56 N -2.67 -0.23 -0.22 -1.77 -0.00 -1.26 -4.89 117.46 106.42 2g31 n PHE 56 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.47 2g31 n PHE 56 Cb 0.18 0.19 0.14 0.00 -0.00 0.00 0.00 39.48 39.99 2g31 n PHE 56 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2g31 h LEU 57 N 0.00 -0.16 -3.12 -2.13 6.46 -1.82 -3.47 115.31 111.07 2g31 h LEU 57 Ca 0.00 0.15 -0.20 0.00 -0.12 0.00 0.00 57.88 57.71 2g31 h LEU 57 Cb 0.00 0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2g31 h LEU 57 CO 0.00 -0.08 -1.01 0.52 -0.62 0.00 0.00 178.44 177.25 2g31 n VAL 58 N -5.23 -2.70 0.00 1.05 0.31 -1.26 -0.59 118.33 109.91 2g31 n VAL 58 Ca 0.11 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 2g31 n VAL 58 Cb 0.40 -2.94 0.00 0.00 -0.91 0.00 0.00 33.84 30.40 2g31 n VAL 58 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2g31 n ASP 59 N 0.55 0.00 0.00 4.52 -0.08 -1.08 -4.88 116.55 115.59 2g31 n ASP 59 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2g31 n ASP 59 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 2g31 n ASP 59 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65