#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r63 h ILE 2 N 0.00 0.00 -0.47 0.44 -0.00 -1.84 0.00 117.51 115.64 1r63 h ILE 2 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.88 1r63 h ILE 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 36.79 1r63 h ILE 2 CO 0.00 0.00 0.28 0.77 -0.00 0.00 0.00 178.15 179.20 1r63 h SER 3 N -0.00 0.45 -0.35 2.19 4.64 -1.87 -0.98 113.55 117.63 1r63 h SER 3 Ca 0.00 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1r63 h SER 3 Cb 0.01 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 1r63 h SER 3 CO -0.02 0.32 -0.01 -1.28 -0.87 0.00 0.00 176.83 174.97 1r63 h SER 4 N 0.56 -0.15 0.14 4.97 0.87 -1.74 -1.19 113.55 117.00 1r63 h SER 4 Ca 0.19 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1r63 h SER 4 Cb 0.02 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1r63 h SER 4 CO -0.09 -0.04 -0.28 0.03 -0.53 0.00 0.00 176.83 175.92 1r63 h ARG 5 N 0.09 -0.48 -0.22 2.24 3.08 0.23 0.49 114.38 119.81 1r63 h ARG 5 Ca 0.17 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.30 1r63 h ARG 5 Cb 0.24 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1r63 h ARG 5 CO -0.29 -0.32 -0.10 0.28 -1.07 0.00 0.00 179.97 178.46 1r63 h VAL 6 N -0.50 0.67 0.79 2.04 2.07 -0.92 0.20 116.25 120.59 1r63 h VAL 6 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1r63 h VAL 6 Cb 0.52 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1r63 h VAL 6 CO -0.15 0.00 -0.40 0.50 0.02 0.00 0.00 177.57 177.54 1r63 h LYS 7 N -0.08 -1.05 -0.37 1.57 3.64 -0.91 0.55 116.57 119.92 1r63 h LYS 7 Ca 0.12 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1r63 h LYS 7 Cb 0.25 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1r63 h LYS 7 CO -0.27 -0.70 -0.04 0.66 -2.27 0.00 0.00 179.45 176.83 1r63 h SER 8 N -1.09 -0.23 -0.03 4.20 4.64 -0.76 -1.95 113.55 118.32 1r63 h SER 8 Ca -0.11 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1r63 h SER 8 Cb 0.85 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1r63 h SER 8 CO 0.16 -0.07 0.02 0.11 -0.87 0.00 0.00 176.83 176.18 1r63 h LYS 9 N 0.06 0.05 -0.63 4.77 1.57 -0.84 0.10 116.57 121.65 1r63 h LYS 9 Ca 0.18 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 1r63 h LYS 9 Cb 0.26 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.46 1r63 h LYS 9 CO -0.33 0.04 0.01 -0.09 -0.57 0.00 0.00 179.45 178.50 1r63 h ARG 10 N 0.04 0.12 -0.37 3.15 1.12 -0.16 0.26 114.38 118.55 1r63 h ARG 10 Ca 0.01 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 1r63 h ARG 10 Cb 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 1r63 h ARG 10 CO -0.00 0.08 0.08 0.82 -3.11 0.00 0.00 179.97 177.84 1r63 h ILE 11 N 0.12 1.23 -0.60 1.20 5.03 -1.07 -2.95 117.51 120.47 1r63 h ILE 11 Ca 0.33 -0.78 0.12 0.00 -0.12 0.00 0.00 64.86 64.40 1r63 h ILE 11 Cb 0.54 1.04 -0.09 0.00 -3.03 0.00 0.00 36.82 35.27 1r63 h ILE 11 CO -0.53 0.27 0.09 -0.61 -0.68 0.00 0.00 178.15 176.68 1r63 h GLN 12 N 0.45 0.20 0.00 2.37 -0.00 0.20 0.24 115.11 118.57 1r63 h GLN 12 Ca 0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1r63 h GLN 12 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 1r63 h GLN 12 CO 0.00 0.13 -0.02 -0.07 0.00 0.00 0.00 178.83 178.88 1r63 h LEU 13 N 0.21 0.00 0.00 -2.39 -0.00 -0.62 -3.46 115.31 109.05 1r63 h LEU 13 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1r63 h LEU 13 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1r63 h LEU 13 CO -0.44 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 178.63 1r63 n GLY 14 N -1.46 0.68 3.72 0.83 0.00 0.85 -5.05 105.19 104.76 1r63 n GLY 14 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1r63 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r63 s LEU 15 N 0.00 4.42 0.85 0.99 1.43 -1.14 -5.00 118.68 120.24 1r63 s LEU 15 Ca 0.00 1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1r63 s LEU 15 Cb 0.00 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.77 1r63 s LEU 15 CO 0.00 -0.17 1.11 0.54 0.23 0.00 0.00 176.35 178.06 1r63 s ASN 16 N 0.55 4.06 0.17 2.29 4.22 -1.26 -4.31 114.94 120.66 1r63 s ASN 16 Ca 0.49 1.20 -0.15 0.00 -2.14 0.00 0.00 52.86 52.26 1r63 s ASN 16 Cb -0.22 -1.88 0.08 0.00 1.28 0.00 0.00 41.25 40.52 1r63 s ASN 16 CO 0.28 -2.23 1.78 -0.61 -2.04 0.00 0.00 177.10 174.28 1r63 h GLN 17 N -1.27 0.41 0.01 3.55 4.15 -1.96 -0.35 115.11 119.65 1r63 h GLN 17 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1r63 h GLN 17 Cb 1.29 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1r63 h GLN 17 CO 0.60 0.27 -0.02 0.00 -1.93 0.00 0.00 178.83 177.76 1r63 h ALA 18 N 1.23 -0.02 -0.25 3.38 0.00 -1.94 0.11 119.26 121.76 1r63 h ALA 18 Ca 0.19 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1r63 h ALA 18 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1r63 h ALA 18 CO -0.13 -0.52 -0.27 0.93 0.00 0.00 0.00 179.25 179.25 1r63 h GLU 19 N -0.03 0.48 0.31 0.00 3.07 -1.86 0.22 114.58 116.77 1r63 h GLU 19 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1r63 h GLU 19 Cb 0.04 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1r63 h GLU 19 CO -0.01 0.72 -0.31 1.25 -1.40 0.00 0.00 179.01 179.26 1r63 h LEU 20 N 0.42 -0.83 -0.70 1.33 5.85 -0.82 -1.51 115.31 119.06 1r63 h LEU 20 Ca 0.06 0.07 0.15 0.00 0.84 0.00 0.00 57.88 59.01 1r63 h LEU 20 Cb 0.70 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 1r63 h LEU 20 CO 0.05 -0.44 0.09 0.00 -0.34 0.00 0.00 178.44 177.81 1r63 h ALA 21 N -0.09 0.81 0.25 1.25 0.00 0.38 0.44 119.26 122.31 1r63 h ALA 21 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r63 h ALA 21 Cb 0.59 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1r63 h ALA 21 CO -0.06 -0.37 -0.41 0.37 0.00 0.00 0.00 179.25 178.77 1r63 h GLN 22 N 0.19 -0.71 -0.05 0.00 -0.00 -0.35 0.12 115.11 114.31 1r63 h GLN 22 Ca 0.39 0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.99 1r63 h GLN 22 Cb 0.66 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 1r63 h GLN 22 CO -0.55 -0.47 -0.41 1.57 0.00 0.00 0.00 178.83 178.97 1r63 h LYS 23 N -0.73 0.10 -0.15 1.69 2.10 -0.42 0.13 116.57 119.29 1r63 h LYS 23 Ca -0.01 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1r63 h LYS 23 Cb 0.71 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 1r63 h LYS 23 CO -0.16 0.50 0.05 0.28 -2.00 0.00 0.00 179.45 178.12 1r63 h VAL 24 N 0.09 1.07 -0.15 0.07 2.07 -0.60 -3.47 116.25 115.33 1r63 h VAL 24 Ca 0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1r63 h VAL 24 Cb 0.77 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1r63 h VAL 24 CO 0.06 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1r63 n GLY 25 N -1.36 0.47 0.00 2.17 0.00 0.45 -4.79 105.19 102.13 1r63 n GLY 25 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1r63 n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r63 n THR 26 N -3.75 0.00 -4.02 2.61 5.66 0.11 -5.01 114.28 109.88 1r63 n THR 26 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1r63 n THR 26 Cb 0.50 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 1r63 n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1r63 s THR 27 N -1.17 4.80 0.59 1.09 -4.23 -1.26 -3.78 115.64 111.68 1r63 s THR 27 Ca 0.00 -0.75 0.29 0.00 -1.18 0.00 0.00 61.69 60.05 1r63 s THR 27 Cb 0.00 -3.37 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1r63 s THR 27 CO 0.00 0.04 2.23 -0.61 -0.54 0.00 0.00 174.62 175.75 1r63 h GLN 28 N 2.89 0.00 -0.48 3.99 -0.00 -1.86 0.20 115.11 119.85 1r63 h GLN 28 Ca -0.47 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.27 1r63 h GLN 28 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.58 1r63 h GLN 28 CO 0.68 0.00 0.02 0.37 0.00 0.00 0.00 178.83 179.89 1r63 h GLN 29 N 0.00 0.13 -0.00 1.69 5.75 -1.97 0.28 115.11 120.98 1r63 h GLN 29 Ca 0.01 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1r63 h GLN 29 Cb 0.07 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1r63 h GLN 29 CO -0.00 0.09 -0.01 0.77 -2.65 0.00 0.00 178.83 177.03 1r63 h SER 30 N 0.13 0.01 -0.64 -0.69 0.02 -1.06 -3.13 113.55 108.20 1r63 h SER 30 Ca 0.24 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1r63 h SER 30 Cb 0.35 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1r63 h SER 30 CO -0.39 0.58 0.37 0.40 -1.14 0.00 0.00 176.83 176.66 1r63 h ILE 31 N -0.56 1.19 -0.25 3.27 1.08 -1.07 -0.81 117.51 120.37 1r63 h ILE 31 Ca 0.00 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1r63 h ILE 31 Cb 0.58 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 1r63 h ILE 31 CO 0.00 0.21 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.28 1r63 h GLU 32 N 0.91 -0.20 -0.17 2.37 4.81 -0.46 0.14 114.58 121.98 1r63 h GLU 32 Ca 0.23 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1r63 h GLU 32 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1r63 h GLU 32 CO -0.04 -0.13 -0.50 1.96 -0.73 0.00 0.00 179.01 179.56 1r63 h GLN 33 N -0.21 0.46 0.24 1.92 4.20 -1.43 0.44 115.11 120.74 1r63 h GLN 33 Ca 0.04 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1r63 h GLN 33 Cb 0.32 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1r63 h GLN 33 CO -0.34 0.86 -0.20 1.25 -0.67 0.00 0.00 178.83 179.73 1r63 h LEU 34 N 0.36 -0.54 -0.31 1.46 5.85 -0.89 0.94 115.31 122.19 1r63 h LEU 34 Ca 0.02 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1r63 h LEU 34 Cb 1.01 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1r63 h LEU 34 CO 0.09 -0.28 -0.06 -0.08 -0.34 0.00 0.00 178.44 177.78 1r63 h GLU 35 N -0.43 0.02 0.00 1.25 4.81 -0.57 -0.42 114.58 119.24 1r63 h GLU 35 Ca -0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1r63 h GLU 35 Cb 0.36 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1r63 h GLU 35 CO -0.00 0.01 0.00 0.27 -0.73 0.00 0.00 179.01 178.56 1r63 n ASN 36 N -5.23 0.00 -0.16 1.04 2.04 0.13 -4.61 115.26 108.47 1r63 n ASN 36 Ca 0.00 -0.97 -0.01 0.00 -0.44 0.00 0.00 54.58 53.16 1r63 n ASN 36 Cb 0.17 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1r63 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1r63 n GLY 37 N 0.52 0.33 0.09 4.83 0.00 -0.17 -4.94 105.19 105.85 1r63 n GLY 37 Ca 0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 1r63 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r63 n LYS 38 N -1.34 0.63 -2.72 1.61 5.02 0.26 -5.00 118.16 116.62 1r63 n LYS 38 Ca -0.02 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.21 1r63 n LYS 38 Cb 0.46 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1r63 n LYS 38 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1r63 s THR 39 N -2.79 4.67 0.00 -0.18 2.01 -1.17 -5.03 115.64 113.15 1r63 s THR 39 Ca -0.04 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1r63 s THR 39 Cb 0.08 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1r63 s THR 39 CO 0.82 -0.54 0.00 0.29 -0.69 0.00 0.00 174.62 174.49 1r63 n LYS 40 N -1.29 0.00 -3.99 4.92 4.01 -1.26 -4.96 118.16 115.59 1r63 n LYS 40 Ca 0.04 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.53 1r63 n LYS 40 Cb 0.54 -0.04 -0.15 0.00 -0.51 0.00 0.00 35.03 34.87 1r63 n LYS 40 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1r63 s ARG 41 N 0.00 1.78 1.09 1.97 3.52 -1.26 -5.13 118.95 120.92 1r63 s ARG 41 Ca 0.00 -1.28 -0.16 0.00 -0.13 0.00 0.00 55.73 54.16 1r63 s ARG 41 Cb 0.00 -2.77 0.24 0.00 -1.56 0.00 0.00 34.95 30.85 1r63 s ARG 41 CO 0.00 -0.67 1.11 -1.25 -0.81 0.00 0.00 175.30 173.68 1r63 s PRO 42 N 1.21 -0.35 0.00 5.12 0.04 -1.26 -5.00 135.00 134.76 1r63 s PRO 42 Ca -0.03 0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 1r63 s PRO 42 Cb -0.19 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 1r63 s PRO 42 CO -0.07 -3.19 0.91 0.00 0.04 0.00 0.00 177.00 174.69 1r63 h ARG 43 N -2.21 -0.01 -0.99 4.56 2.47 -2.02 -3.38 114.38 112.80 1r63 h ARG 43 Ca -0.50 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.13 1r63 h ARG 43 Cb 1.31 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.58 1r63 h ARG 43 CO 0.47 -0.01 0.12 1.97 0.56 0.00 0.00 179.97 183.07 1r63 n PHE 44 N -2.04 0.59 -0.15 3.04 1.16 -1.26 -4.61 117.46 114.20 1r63 n PHE 44 Ca -0.00 -0.69 -0.05 0.00 -1.87 0.00 0.00 57.45 54.83 1r63 n PHE 44 Cb 0.00 -0.36 0.01 0.00 -1.61 0.00 0.00 39.48 37.52 1r63 n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1r63 h LEU 45 N 0.98 -0.93 -0.41 5.98 6.46 -1.98 0.13 115.31 125.54 1r63 h LEU 45 Ca 0.11 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 58.14 1r63 h LEU 45 Cb 1.30 0.47 -0.07 0.00 -0.73 0.00 0.00 40.66 41.64 1r63 h LEU 45 CO 0.21 -0.28 -0.00 1.55 -0.62 0.00 0.00 178.44 179.30 1r63 h PRO 46 N -0.16 0.10 -0.47 5.25 0.13 -1.95 -0.13 132.00 134.76 1r63 h PRO 46 Ca 0.22 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1r63 h PRO 46 Cb 0.51 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1r63 h PRO 46 CO -0.58 0.07 0.09 0.93 -0.23 0.00 0.00 178.00 178.28 1r63 h GLU 47 N 0.10 0.73 -0.10 0.86 5.08 -1.61 -0.72 114.58 118.92 1r63 h GLU 47 Ca 0.20 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1r63 h GLU 47 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1r63 h GLU 47 CO -0.34 0.68 0.04 1.25 -1.00 0.00 0.00 179.01 179.63 1r63 h LEU 48 N 0.70 0.05 -0.42 1.33 7.12 -0.10 0.87 115.31 124.87 1r63 h LEU 48 Ca 0.15 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.25 1r63 h LEU 48 Cb 0.30 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.37 1r63 h LEU 48 CO 0.00 0.05 0.04 0.00 -0.13 0.00 0.00 178.44 178.40 1r63 h ALA 49 N 1.06 0.43 0.31 1.25 0.00 -0.26 0.60 119.26 122.65 1r63 h ALA 49 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1r63 h ALA 49 Cb 0.02 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r63 h ALA 49 CO -0.04 -0.36 -0.19 0.77 0.00 0.00 0.00 179.25 179.44 1r63 h SER 50 N 0.16 -0.46 -0.21 0.00 0.02 -0.88 0.27 113.55 112.45 1r63 h SER 50 Ca 0.21 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1r63 h SER 50 Cb 0.28 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1r63 h SER 50 CO -0.31 -0.30 0.13 0.00 -1.14 0.00 0.00 176.83 175.21 1r63 h ALA 51 N 0.20 0.26 0.00 3.77 0.00 -0.33 0.11 119.26 123.27 1r63 h ALA 51 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r63 h ALA 51 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1r63 h ALA 51 CO 0.04 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.29 1r63 n LEU 52 N -4.96 0.51 -2.98 0.00 4.77 0.16 -4.92 117.00 109.57 1r63 n LEU 52 Ca -0.03 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1r63 n LEU 52 Cb 0.04 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1r63 n LEU 52 CO 0.33 -0.46 0.05 0.61 -1.33 0.00 0.00 177.39 176.59 1r63 n GLY 53 N 0.10 -0.59 3.52 -0.72 0.00 0.03 -4.97 105.19 102.56 1r63 n GLY 53 Ca 0.03 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1r63 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r63 s VAL 54 N -3.32 0.00 0.43 1.61 -7.23 -0.38 -5.04 120.40 106.47 1r63 s VAL 54 Ca 0.24 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1r63 s VAL 54 Cb -0.03 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1r63 s VAL 54 CO 0.61 0.00 0.74 -0.44 -0.31 0.00 0.00 175.10 175.70 1r63 s SER 55 N -3.21 6.36 0.09 4.85 0.01 -1.26 -4.13 113.70 116.42 1r63 s SER 55 Ca 0.29 0.93 -0.23 0.00 1.31 0.00 0.00 55.95 58.25 1r63 s SER 55 Cb -0.01 -2.24 -0.14 0.00 0.21 0.00 0.00 66.02 63.84 1r63 s SER 55 CO 0.19 -0.46 1.73 0.58 0.41 0.00 0.00 173.24 175.69 1r63 h VAL 56 N 0.66 0.95 -0.55 3.43 2.07 -1.91 -1.07 116.25 119.84 1r63 h VAL 56 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1r63 h VAL 56 Cb 1.20 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1r63 h VAL 56 CO 0.63 0.00 0.35 -2.24 0.02 0.00 0.00 177.57 176.32 1r63 h ASP 57 N -0.03 0.64 -0.57 0.57 2.03 -1.99 -0.26 116.42 116.82 1r63 h ASP 57 Ca 0.01 -0.04 0.05 0.00 -0.73 0.00 0.00 57.03 56.32 1r63 h ASP 57 Cb 0.04 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 38.33 1r63 h ASP 57 CO -0.02 0.49 0.31 -0.25 -1.03 0.00 0.00 179.24 178.74 1r63 h TRP 58 N 0.74 0.56 0.43 4.15 7.01 -1.86 -0.92 115.95 126.06 1r63 h TRP 58 Ca 0.20 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1r63 h TRP 58 Cb -0.05 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1r63 h TRP 58 CO -0.03 0.28 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.62 1r63 h LEU 59 N 0.58 -0.49 0.32 0.65 3.38 -0.70 -2.85 115.31 116.20 1r63 h LEU 59 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1r63 h LEU 59 Cb 0.14 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1r63 h LEU 59 CO -0.16 -0.32 -0.29 0.25 0.09 0.00 0.00 178.44 178.01 1r63 h LEU 60 N -0.63 -0.78 0.00 1.67 5.85 -0.54 -3.41 115.31 117.47 1r63 h LEU 60 Ca -0.06 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1r63 h LEU 60 Cb 0.47 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1r63 h LEU 60 CO 0.10 -0.39 0.00 0.59 -0.34 0.00 0.00 178.44 178.40 1r63 n ASN 61 N -4.12 0.00 0.00 1.25 3.02 -0.40 -4.70 115.26 110.31 1r63 n ASN 61 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1r63 n ASN 61 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1r63 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r63 n GLY 62 N 3.05 3.71 2.90 7.41 0.00 -1.08 -4.73 105.19 116.45 1r63 n GLY 62 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1r63 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02