#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 0.52 -0.78 0.44 2.10 -1.90 -2.92 117.51 114.97 1r63 h ILE 2 Ca 0.00 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.09 1r63 h ILE 2 Cb 0.00 0.52 -0.15 0.00 -1.09 0.00 0.00 36.82 36.10 1r63 h ILE 2 CO 0.00 0.00 -0.20 -1.28 -1.08 0.00 0.00 178.15 175.59 1r63 h SER 3 N -0.44 -0.74 -0.14 2.19 0.87 -1.79 -0.23 113.55 113.28 1r63 h SER 3 Ca 0.01 0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1r63 h SER 3 Cb 0.43 0.49 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1r63 h SER 3 CO -0.09 -0.26 -0.29 -1.28 -0.53 0.00 0.00 176.83 174.38 1r63 h SER 4 N -0.00 -0.96 -0.18 6.23 0.87 -1.79 -0.32 113.55 117.40 1r63 h SER 4 Ca 0.37 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1r63 h SER 4 Cb 0.57 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1r63 h SER 4 CO -0.80 -0.24 0.11 0.03 -0.53 0.00 0.00 176.83 175.40 1r63 h ARG 5 N -0.27 0.24 -0.16 2.24 -0.00 -1.31 -1.74 114.38 113.39 1r63 h ARG 5 Ca 0.03 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 1r63 h ARG 5 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.23 1r63 h ARG 5 CO -0.27 0.20 -0.02 0.28 0.00 0.00 0.00 179.97 180.16 1r63 h VAL 6 N 0.22 0.87 0.51 2.04 2.07 -0.87 0.11 116.25 121.20 1r63 h VAL 6 Ca 0.06 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1r63 h VAL 6 Cb 0.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1r63 h VAL 6 CO -0.01 0.01 -0.43 0.50 0.02 0.00 0.00 177.57 177.66 1r63 h LYS 7 N 0.03 -0.90 -0.71 1.57 3.64 -0.98 0.07 116.57 119.29 1r63 h LYS 7 Ca 0.07 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.65 1r63 h LYS 7 Cb 0.10 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 1r63 h LYS 7 CO -0.14 -0.60 0.26 0.77 -2.27 0.00 0.00 179.45 177.48 1r63 h SER 8 N -0.93 0.23 -0.36 4.20 0.02 -0.90 -0.41 113.55 115.39 1r63 h SER 8 Ca -0.06 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1r63 h SER 8 Cb 0.80 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1r63 h SER 8 CO -0.01 0.09 0.01 0.11 -1.14 0.00 0.00 176.83 175.88 1r63 h LYS 9 N 0.41 0.64 -0.37 3.45 1.79 -0.64 -0.00 116.57 121.85 1r63 h LYS 9 Ca 0.39 -0.20 0.07 0.00 -2.18 0.00 0.00 60.65 58.73 1r63 h LYS 9 Cb 0.57 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1r63 h LYS 9 CO -0.39 0.74 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.57 1r63 h ARG 10 N 0.46 0.04 0.03 3.15 1.12 0.68 -0.40 114.38 119.46 1r63 h ARG 10 Ca 0.10 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1r63 h ARG 10 Cb 0.45 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1r63 h ARG 10 CO 0.02 0.02 -0.01 0.82 -3.11 0.00 0.00 179.97 177.71 1r63 h ILE 11 N 0.04 1.07 -0.39 1.20 5.03 -1.24 -2.53 117.51 120.68 1r63 h ILE 11 Ca 0.18 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.61 1r63 h ILE 11 Cb 0.26 1.26 -0.02 0.00 -3.03 0.00 0.00 36.82 35.30 1r63 h ILE 11 CO -0.35 0.07 0.19 0.06 -0.68 0.00 0.00 178.15 177.45 1r63 h GLN 12 N -0.17 0.53 -0.09 2.37 3.07 -0.04 0.38 115.11 121.17 1r63 h GLN 12 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 1r63 h GLN 12 Cb 0.15 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 1r63 h GLN 12 CO 0.01 0.41 -0.26 -0.07 0.09 0.00 0.00 178.83 179.01 1r63 h LEU 13 N 0.54 0.15 0.00 0.06 3.38 -1.06 -3.47 115.31 114.90 1r63 h LEU 13 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1r63 h LEU 13 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1r63 h LEU 13 CO -0.02 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1r63 n GLY 14 N -0.64 0.55 3.81 0.83 0.00 0.13 -5.08 105.19 104.79 1r63 n GLY 14 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.79 0.84 0.99 1.43 -0.98 -4.98 118.68 119.77 1r63 s LEU 15 Ca 0.00 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1r63 s LEU 15 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 1r63 s LEU 15 CO 0.00 -0.74 1.15 0.20 0.23 0.00 0.00 176.35 177.19 1r63 s ASN 16 N -2.26 4.20 0.55 2.29 0.01 -1.26 -4.23 114.94 114.24 1r63 s ASN 16 Ca 0.65 0.94 0.33 0.00 -0.71 0.00 0.00 52.86 54.07 1r63 s ASN 16 Cb -0.14 -1.53 1.49 0.00 0.41 0.00 0.00 41.25 41.49 1r63 s ASN 16 CO 0.22 -2.12 1.84 1.56 -1.51 0.00 0.00 177.10 177.10 1r63 h GLN 17 N -1.20 0.00 0.19 -0.60 4.20 -1.97 0.10 115.11 115.84 1r63 h GLN 17 Ca -0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 1r63 h GLN 17 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1r63 h GLN 17 CO 0.63 0.00 -0.09 0.00 -0.67 0.00 0.00 178.83 178.70 1r63 h ALA 18 N 1.45 -0.30 -0.70 3.87 0.00 -1.93 -0.75 119.26 120.91 1r63 h ALA 18 Ca 0.45 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1r63 h ALA 18 Cb 1.89 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1r63 h ALA 18 CO -0.00 -0.28 0.47 0.93 0.00 0.00 0.00 179.25 180.37 1r63 h GLU 19 N -0.89 0.38 0.53 0.00 3.07 -1.91 0.79 114.58 116.55 1r63 h GLU 19 Ca -0.03 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1r63 h GLU 19 Cb 0.20 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1r63 h GLU 19 CO 0.04 0.25 -0.33 1.25 -1.40 0.00 0.00 179.01 178.82 1r63 h LEU 20 N 0.40 -0.85 -0.77 1.33 5.85 -1.04 -3.18 115.31 117.04 1r63 h LEU 20 Ca 0.34 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1r63 h LEU 20 Cb 0.76 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.90 1r63 h LEU 20 CO -0.10 -0.51 -0.29 0.00 -0.34 0.00 0.00 178.44 177.20 1r63 h ALA 21 N -1.40 0.24 -0.34 1.25 0.00 0.68 -0.65 119.26 119.03 1r63 h ALA 21 Ca -0.07 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r63 h ALA 21 Cb 0.65 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1r63 h ALA 21 CO 0.06 -0.55 0.21 -0.56 0.00 0.00 0.00 179.25 178.42 1r63 h GLN 22 N -0.06 0.42 -0.21 0.00 -0.00 -1.33 -0.02 115.11 113.92 1r63 h GLN 22 Ca 0.32 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.82 1r63 h GLN 22 Cb 0.58 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 1r63 h GLN 22 CO -0.82 0.28 -0.41 1.57 -0.00 0.00 0.00 178.83 179.45 1r63 h LYS 23 N 0.44 0.49 0.00 0.06 2.10 -1.30 0.54 116.57 118.89 1r63 h LYS 23 Ca 0.13 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1r63 h LYS 23 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1r63 h LYS 23 CO -0.05 0.81 0.01 0.28 -2.00 0.00 0.00 179.45 178.51 1r63 h VAL 24 N 0.40 0.00 -1.55 0.07 2.07 -0.50 -3.46 116.25 113.29 1r63 h VAL 24 Ca 0.03 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.28 1r63 h VAL 24 Cb 0.89 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1r63 h VAL 24 CO 0.08 0.00 -0.32 0.61 0.02 0.00 0.00 177.57 177.96 1r63 n GLY 25 N -1.17 0.30 1.63 2.17 0.00 0.18 -4.75 105.19 103.56 1r63 n GLY 25 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.58 0.00 -3.88 2.61 5.66 -0.19 -5.01 114.28 109.88 1r63 n THR 26 Ca -0.15 -1.06 -0.29 0.00 -3.05 0.00 0.00 64.05 59.50 1r63 n THR 26 Cb 0.57 0.15 -0.04 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.74 5.33 0.28 1.09 -4.23 -1.26 -3.80 115.64 111.31 1r63 s THR 27 Ca 0.02 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.11 1r63 s THR 27 Cb -0.00 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 70.43 1r63 s THR 27 CO 0.01 0.03 1.77 -0.61 -0.54 0.00 0.00 174.62 175.28 1r63 h GLN 28 N 2.66 0.67 -0.51 3.99 4.15 -1.88 0.49 115.11 124.69 1r63 h GLN 28 Ca -0.46 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 58.97 1r63 h GLN 28 Cb 1.17 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.63 1r63 h GLN 28 CO 0.73 0.44 -0.53 0.37 -1.93 0.00 0.00 178.83 177.91 1r63 h GLN 29 N 0.69 -0.28 -0.57 1.69 5.75 -1.94 0.21 115.11 120.66 1r63 h GLN 29 Ca 0.50 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.02 1r63 h GLN 29 Cb 0.72 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 1r63 h GLN 29 CO -0.36 -0.18 0.35 0.77 -2.65 0.00 0.00 178.83 176.75 1r63 h SER 30 N -0.29 0.68 -0.05 -0.69 0.02 -1.55 -2.07 113.55 109.60 1r63 h SER 30 Ca 0.09 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1r63 h SER 30 Cb 0.52 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1r63 h SER 30 CO -0.63 0.52 -0.17 0.40 -1.14 0.00 0.00 176.83 175.82 1r63 h ILE 31 N 0.77 0.59 -0.33 3.27 1.08 -0.55 -2.58 117.51 119.75 1r63 h ILE 31 Ca 0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.75 1r63 h ILE 31 Cb -0.04 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.22 1r63 h ILE 31 CO -0.04 0.00 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.17 1r63 h GLU 32 N -0.25 -0.11 0.00 2.37 4.22 -0.07 0.36 114.58 121.10 1r63 h GLU 32 Ca 0.07 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 1r63 h GLU 32 Cb 0.34 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1r63 h GLU 32 CO -0.19 -0.08 -0.01 1.96 -2.18 0.00 0.00 179.01 178.52 1r63 h GLN 33 N -0.12 0.00 0.00 1.92 1.08 -1.23 0.64 115.11 117.40 1r63 h GLN 33 Ca 0.17 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.08 1r63 h GLN 33 Cb 0.38 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1r63 h GLN 33 CO -0.41 0.01 -1.58 -0.11 -0.95 0.00 0.00 178.83 175.79 1r63 n LEU 34 N -3.68 1.90 -0.24 1.46 0.00 0.14 -0.51 117.00 116.05 1r63 n LEU 34 Ca -0.03 0.40 0.05 0.00 0.00 0.00 0.00 56.01 56.43 1r63 n LEU 34 Cb 0.09 -0.93 0.17 0.00 0.00 0.00 0.00 43.42 42.75 1r63 n LEU 34 CO 0.26 0.36 0.92 -0.08 0.00 0.00 0.00 177.39 178.84 1r63 h GLU 35 N -0.98 0.23 0.00 1.96 4.22 -0.31 0.27 114.58 119.97 1r63 h GLU 35 Ca -0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1r63 h GLU 35 Cb 1.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1r63 h GLU 35 CO -0.26 0.15 0.00 0.27 -2.18 0.00 0.00 179.01 177.00 1r63 n ASN 36 N -5.18 0.00 -0.06 1.04 0.23 0.21 -4.32 115.26 107.18 1r63 n ASN 36 Ca 0.14 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 1r63 n ASN 36 Cb 0.45 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1r63 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r63 n GLY 37 N 0.70 0.46 0.10 4.83 0.00 0.95 -4.90 105.19 107.33 1r63 n GLY 37 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.94 0.62 -3.00 1.61 5.02 0.34 -4.94 118.16 116.86 1r63 n LYS 38 Ca 0.00 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.14 1r63 n LYS 38 Cb 0.49 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.08 4.55 -0.07 -0.18 2.01 -0.59 -4.98 115.64 113.30 1r63 s THR 39 Ca -0.02 1.19 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 1r63 s THR 39 Cb 0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1r63 s THR 39 CO 0.81 -0.25 -0.12 0.29 -0.69 0.00 0.00 174.62 174.66 1r63 n LYS 40 N -0.49 0.20 -3.58 4.92 4.01 -1.26 -4.90 118.16 117.06 1r63 n LYS 40 Ca 0.05 0.08 -0.27 0.00 -0.51 0.00 0.00 58.31 57.66 1r63 n LYS 40 Cb 0.54 -0.83 -0.10 0.00 -0.51 0.00 0.00 35.03 34.12 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1r63 n ARG 41 N -3.52 1.05 -1.71 1.97 0.63 -1.26 -5.09 116.66 108.73 1r63 n ARG 41 Ca -0.15 -3.81 -0.42 0.00 -0.92 0.00 0.00 57.85 52.55 1r63 n ARG 41 Cb 0.53 -1.92 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 1r63 n ARG 41 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1r63 s PRO 42 N -0.84 4.13 0.26 -0.14 0.02 -1.26 -4.88 135.00 132.29 1r63 s PRO 42 Ca 0.31 2.62 -0.01 0.00 0.02 0.00 0.00 61.00 63.93 1r63 s PRO 42 Cb 0.03 -3.34 0.35 0.00 0.02 0.00 0.00 34.50 31.56 1r63 s PRO 42 CO -0.17 -0.81 1.77 0.07 -0.33 0.00 0.00 177.00 177.53 1r63 h ARG 43 N 7.74 0.77 -0.98 5.54 -0.00 -2.04 -3.10 114.38 122.31 1r63 h ARG 43 Ca -0.45 -0.21 0.00 0.00 -0.00 0.00 0.00 59.98 59.33 1r63 h ARG 43 Cb 1.21 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 1r63 h ARG 43 CO 0.95 0.78 0.00 1.97 -0.00 0.00 0.00 179.97 183.68 1r63 n PHE 44 N -4.22 0.00 -0.12 4.08 -1.74 -1.26 -4.37 117.46 109.84 1r63 n PHE 44 Ca 0.02 -0.14 -0.06 0.00 -0.56 0.00 0.00 57.45 56.71 1r63 n PHE 44 Cb 0.30 -0.14 0.02 0.00 1.52 0.00 0.00 39.48 41.18 1r63 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1r63 h LEU 45 N 0.37 0.23 -0.27 5.98 5.85 -1.94 0.08 115.31 125.61 1r63 h LEU 45 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1r63 h LEU 45 Cb 0.61 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1r63 h LEU 45 CO 0.00 0.17 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.60 1r63 h PRO 46 N 0.36 0.06 -0.37 5.25 0.11 -1.90 -1.41 132.00 134.10 1r63 h PRO 46 Ca 0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1r63 h PRO 46 Cb 0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1r63 h PRO 46 CO -0.15 0.04 0.12 0.93 -0.21 0.00 0.00 178.00 178.73 1r63 h GLU 47 N 0.06 0.57 -0.19 1.05 3.07 -1.75 -1.31 114.58 116.08 1r63 h GLU 47 Ca 0.13 -0.12 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1r63 h GLU 47 Cb 0.18 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.95 1r63 h GLU 47 CO -0.24 0.58 -0.14 1.25 -1.40 0.00 0.00 179.01 179.06 1r63 h LEU 48 N 0.44 -0.46 -0.06 1.33 6.46 -0.83 0.22 115.31 122.42 1r63 h LEU 48 Ca 0.12 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1r63 h LEU 48 Cb 0.25 0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.35 1r63 h LEU 48 CO -0.00 -0.18 -0.50 0.00 -0.62 0.00 0.00 178.44 177.13 1r63 h ALA 49 N 0.98 -0.83 0.00 1.25 0.00 -0.99 0.22 119.26 119.89 1r63 h ALA 49 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1r63 h ALA 49 Cb 0.31 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1r63 h ALA 49 CO -0.28 -1.06 -0.54 1.03 0.00 0.00 0.00 179.25 178.40 1r63 h SER 50 N -0.61 0.00 0.54 0.00 0.87 -0.79 0.31 113.55 113.87 1r63 h SER 50 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1r63 h SER 50 Cb 0.69 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1r63 h SER 50 CO -0.38 0.54 -0.26 0.00 -0.53 0.00 0.00 176.83 176.20 1r63 h ALA 51 N 1.46 -0.74 0.00 6.23 0.00 -0.30 -3.16 119.26 122.75 1r63 h ALA 51 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1r63 h ALA 51 Cb 1.01 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1r63 h ALA 51 CO 0.07 -0.69 0.00 -0.11 0.00 0.00 0.00 179.25 178.52 1r63 n LEU 52 N -5.21 0.61 -1.94 0.00 7.94 0.04 -4.92 117.00 113.52 1r63 n LEU 52 Ca -0.09 0.64 -0.02 0.00 -1.11 0.00 0.00 56.01 55.43 1r63 n LEU 52 Cb 0.29 -0.55 0.01 0.00 0.53 0.00 0.00 43.42 43.70 1r63 n LEU 52 CO 0.22 -0.49 0.04 0.61 -1.11 0.00 0.00 177.39 176.65 1r63 n GLY 53 N 0.13 0.03 3.45 -3.96 0.00 0.94 -4.99 105.19 100.80 1r63 n GLY 53 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.06 0.03 0.60 1.61 -7.23 -0.36 -5.02 120.40 106.96 1r63 s VAL 54 Ca 0.08 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1r63 s VAL 54 Cb -0.01 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1r63 s VAL 54 CO 0.20 -0.12 1.02 -0.94 -0.31 0.00 0.00 175.10 174.95 1r63 s SER 55 N -2.81 6.23 0.19 4.85 1.04 -1.26 -3.94 113.70 118.00 1r63 s SER 55 Ca 0.05 1.47 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 1r63 s SER 55 Cb -0.01 -2.48 0.17 0.00 0.10 0.00 0.00 66.02 63.80 1r63 s SER 55 CO -0.08 -0.87 1.64 0.58 0.98 0.00 0.00 173.24 175.49 1r63 h VAL 56 N -0.10 0.43 -0.80 5.02 2.07 -1.92 -1.00 116.25 119.96 1r63 h VAL 56 Ca -0.45 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1r63 h VAL 56 Cb 1.19 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1r63 h VAL 56 CO 0.61 0.00 0.51 0.44 0.02 0.00 0.00 177.57 179.15 1r63 h ASP 57 N -0.03 0.84 -0.67 0.57 5.19 -1.93 0.71 116.42 121.10 1r63 h ASP 57 Ca 0.25 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1r63 h ASP 57 Cb 0.41 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1r63 h ASP 57 CO -0.56 0.58 0.33 -0.25 -3.12 0.00 0.00 179.24 176.22 1r63 h TRP 58 N 0.99 0.97 0.30 4.55 7.01 -1.40 0.48 115.95 128.85 1r63 h TRP 58 Ca 0.32 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 1r63 h TRP 58 Cb 0.01 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 1r63 h TRP 58 CO -0.03 0.72 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.13 1r63 h LEU 59 N 0.93 -0.34 0.39 0.65 3.38 -0.65 -2.94 115.31 116.73 1r63 h LEU 59 Ca 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1r63 h LEU 59 Cb 0.12 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1r63 h LEU 59 CO -0.03 -0.09 -0.19 0.25 0.09 0.00 0.00 178.44 178.48 1r63 h LEU 60 N -0.59 -0.44 0.00 1.67 5.85 -0.61 -3.43 115.31 117.77 1r63 h LEU 60 Ca -0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1r63 h LEU 60 Cb 0.43 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1r63 h LEU 60 CO 0.07 -0.28 0.00 0.59 -0.34 0.00 0.00 178.44 178.47 1r63 n ASN 61 N -3.56 0.00 0.00 1.25 3.02 0.15 -4.89 115.26 111.22 1r63 n ASN 61 Ca -0.06 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1r63 n ASN 61 Cb 0.20 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.73 3.15 2.02 7.41 0.00 -0.10 -4.93 105.19 114.48 1r63 n GLY 62 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95