#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 1.50 -0.89 -1.33 2.10 -1.91 -3.37 117.51 113.62 1r63 h ILE 2 Ca 0.00 -2.29 0.02 0.00 1.08 0.00 0.00 64.86 63.68 1r63 h ILE 2 Cb 0.00 2.94 -0.05 0.00 -1.09 0.00 0.00 36.82 38.62 1r63 h ILE 2 CO 0.00 0.65 0.59 0.77 -1.08 0.00 0.00 178.15 179.08 1r63 h SER 3 N -0.33 0.99 -0.77 2.19 4.64 -1.83 -0.55 113.55 117.88 1r63 h SER 3 Ca -0.10 -0.02 0.15 0.00 -0.47 0.00 0.00 61.79 61.35 1r63 h SER 3 Cb 1.40 -0.24 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 1r63 h SER 3 CO 0.12 0.69 -0.25 -1.28 -0.87 0.00 0.00 176.83 175.24 1r63 h SER 4 N 1.16 -0.92 0.91 4.97 0.87 -1.86 0.29 113.55 118.95 1r63 h SER 4 Ca 0.34 0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 61.10 1r63 h SER 4 Cb -0.05 0.54 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1r63 h SER 4 CO -0.09 -0.28 -0.43 0.03 -0.53 0.00 0.00 176.83 175.53 1r63 h ARG 5 N -0.04 -1.17 0.45 2.24 -0.00 -1.30 -0.32 114.38 114.23 1r63 h ARG 5 Ca 0.34 0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.89 1r63 h ARG 5 Cb 0.58 0.27 -0.03 0.00 0.00 0.00 0.00 29.97 30.79 1r63 h ARG 5 CO -0.81 -0.78 -0.50 0.28 0.00 0.00 0.00 179.97 178.17 1r63 h VAL 6 N -1.23 0.03 -0.17 2.04 2.07 -1.19 0.99 116.25 118.79 1r63 h VAL 6 Ca -0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1r63 h VAL 6 Cb 0.93 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1r63 h VAL 6 CO 0.20 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 177.98 1r63 h LYS 7 N -0.96 -0.35 0.34 1.57 1.63 -0.52 0.11 116.57 118.40 1r63 h LYS 7 Ca -0.05 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1r63 h LYS 7 Cb 0.85 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1r63 h LYS 7 CO -0.09 -0.23 -0.18 1.03 -3.45 0.00 0.00 179.45 176.52 1r63 h SER 8 N -0.36 -0.44 -0.93 4.20 0.87 -0.95 -3.04 113.55 112.89 1r63 h SER 8 Ca 0.11 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1r63 h SER 8 Cb 0.53 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 1r63 h SER 8 CO -0.37 -0.30 0.60 0.11 -0.53 0.00 0.00 176.83 176.34 1r63 h LYS 9 N -0.49 1.02 -0.87 2.24 1.79 -0.25 -0.91 116.57 119.10 1r63 h LYS 9 Ca -0.04 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.50 1r63 h LYS 9 Cb 0.39 -0.23 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 1r63 h LYS 9 CO 0.06 0.67 0.56 -0.09 -1.08 0.00 0.00 179.45 179.57 1r63 h ARG 10 N 1.05 0.69 0.00 3.15 2.43 -0.67 0.25 114.38 121.28 1r63 h ARG 10 Ca 0.40 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 1r63 h ARG 10 Cb 0.22 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1r63 h ARG 10 CO -0.16 0.45 -0.91 0.82 -1.51 0.00 0.00 179.97 178.67 1r63 h ILE 11 N 0.71 1.45 -0.35 1.20 5.03 -1.23 0.14 117.51 124.45 1r63 h ILE 11 Ca 0.43 -2.54 -0.02 0.00 -0.12 0.00 0.00 64.86 62.61 1r63 h ILE 11 Cb 0.64 2.45 -0.02 0.00 -3.03 0.00 0.00 36.82 36.86 1r63 h ILE 11 CO -0.19 0.75 0.15 1.56 -0.68 0.00 0.00 178.15 179.74 1r63 h GLN 12 N 0.16 0.49 0.89 2.37 7.50 -0.11 -0.57 115.11 125.84 1r63 h GLN 12 Ca -0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 58.99 1r63 h GLN 12 Cb 1.54 -0.10 0.01 0.00 0.05 0.00 0.00 27.48 28.98 1r63 h GLN 12 CO 0.15 0.40 -0.43 -0.07 -1.50 0.00 0.00 178.83 177.38 1r63 h LEU 13 N 0.49 -1.01 0.00 1.46 -0.00 -0.64 -3.49 115.31 112.12 1r63 h LEU 13 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1r63 h LEU 13 Cb 0.09 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1r63 h LEU 13 CO -0.01 -0.67 0.00 0.61 -0.00 0.00 0.00 178.44 178.37 1r63 n GLY 14 N -1.28 2.94 3.80 0.83 0.00 0.42 -5.10 105.19 106.81 1r63 n GLY 14 Ca -0.15 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 3.60 0.99 0.99 1.43 -0.89 -4.65 118.68 120.15 1r63 s LEU 15 Ca 0.00 1.85 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 1r63 s LEU 15 Cb 0.00 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.87 1r63 s LEU 15 CO 0.00 -1.05 1.18 0.54 0.23 0.00 0.00 176.35 177.25 1r63 s ASN 16 N -2.54 2.83 0.14 2.29 4.22 -1.26 -4.32 114.94 116.30 1r63 s ASN 16 Ca 0.65 0.68 -0.30 0.00 -2.14 0.00 0.00 52.86 51.76 1r63 s ASN 16 Cb -0.16 -1.03 -0.06 0.00 1.28 0.00 0.00 41.25 41.28 1r63 s ASN 16 CO 0.32 -2.95 1.57 1.56 -2.04 0.00 0.00 177.10 175.56 1r63 h GLN 17 N -1.78 -0.44 0.28 3.55 4.20 -1.97 -0.36 115.11 118.60 1r63 h GLN 17 Ca -0.47 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 1r63 h GLN 17 Cb 1.30 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1r63 h GLN 17 CO 0.49 -0.29 -0.24 0.00 -0.67 0.00 0.00 178.83 178.12 1r63 h ALA 18 N 0.12 -0.52 -0.66 3.87 0.00 -1.94 0.54 119.26 120.67 1r63 h ALA 18 Ca 0.08 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1r63 h ALA 18 Cb 0.63 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1r63 h ALA 18 CO -0.47 -0.82 -0.12 0.93 0.00 0.00 0.00 179.25 178.77 1r63 h GLU 19 N -0.54 0.03 0.16 0.00 4.39 -1.91 0.81 114.58 117.51 1r63 h GLU 19 Ca -0.02 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1r63 h GLU 19 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1r63 h GLU 19 CO -0.03 0.02 -0.22 1.25 -1.16 0.00 0.00 179.01 178.88 1r63 h LEU 20 N 0.03 -0.59 -0.48 1.33 7.12 -0.38 -1.21 115.31 121.12 1r63 h LEU 20 Ca 0.33 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.49 1r63 h LEU 20 Cb 0.52 0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 40.78 1r63 h LEU 20 CO -0.65 -0.31 0.02 0.00 -0.13 0.00 0.00 178.44 177.37 1r63 h ALA 21 N 0.32 0.47 -0.15 1.25 0.00 0.61 -0.66 119.26 121.10 1r63 h ALA 21 Ca 0.01 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1r63 h ALA 21 Cb 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1r63 h ALA 21 CO -0.09 -0.37 -0.44 -0.56 0.00 0.00 0.00 179.25 177.79 1r63 h GLN 22 N 0.14 0.37 -0.23 0.00 3.07 -0.70 0.15 115.11 117.90 1r63 h GLN 22 Ca 0.24 -0.19 -0.09 0.00 0.09 0.00 0.00 58.65 58.71 1r63 h GLN 22 Cb 0.36 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 1r63 h GLN 22 CO -0.39 0.74 -0.23 1.57 0.09 0.00 0.00 178.83 180.62 1r63 h LYS 23 N 0.30 0.42 -0.23 0.06 2.10 -0.79 -2.96 116.57 115.46 1r63 h LYS 23 Ca 0.02 -0.15 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 1r63 h LYS 23 Cb 0.90 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1r63 h LYS 23 CO 0.07 0.63 0.08 0.28 -2.00 0.00 0.00 179.45 178.51 1r63 h VAL 24 N 0.38 1.19 0.00 0.07 2.07 -0.29 -3.48 116.25 116.18 1r63 h VAL 24 Ca 0.06 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1r63 h VAL 24 Cb 0.61 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1r63 h VAL 24 CO 0.04 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1r63 n GLY 25 N -0.63 1.40 0.00 2.17 0.00 0.43 -4.88 105.19 103.68 1r63 n GLY 25 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -3.41 2.61 5.66 -0.95 -4.89 114.28 113.30 1r63 n THR 26 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1r63 n THR 26 Cb 0.00 -1.74 -0.06 0.00 -1.55 0.00 0.00 70.33 66.99 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 -0.21 4.92 0.23 1.09 -4.23 -1.26 -4.11 115.64 112.06 1r63 s THR 27 Ca 0.00 0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1r63 s THR 27 Cb 0.00 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.33 1r63 s THR 27 CO 0.00 0.30 1.68 -0.61 -0.54 0.00 0.00 174.62 175.45 1r63 h GLN 28 N 3.75 0.20 -0.52 3.99 -0.00 -1.88 -0.83 115.11 119.81 1r63 h GLN 28 Ca -0.49 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.23 1r63 h GLN 28 Cb 1.20 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 28.56 1r63 h GLN 28 CO 0.65 0.13 0.15 0.37 0.00 0.00 0.00 178.83 180.13 1r63 h GLN 29 N 0.21 0.29 0.66 1.69 5.75 -1.97 0.21 115.11 121.95 1r63 h GLN 29 Ca 0.37 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 1r63 h GLN 29 Cb 0.60 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1r63 h GLN 29 CO -0.50 0.19 -0.47 1.03 -2.65 0.00 0.00 178.83 176.42 1r63 h SER 30 N 0.30 -1.23 -0.93 -0.69 0.87 -1.72 -1.46 113.55 108.68 1r63 h SER 30 Ca 0.26 0.08 0.28 0.00 -1.23 0.00 0.00 61.79 61.17 1r63 h SER 30 Cb 0.33 0.38 -0.16 0.00 -0.44 0.00 0.00 62.40 62.51 1r63 h SER 30 CO -0.30 -0.69 0.26 0.40 -0.53 0.00 0.00 176.83 175.97 1r63 h ILE 31 N -1.09 0.20 -0.04 2.23 5.03 -0.11 0.13 117.51 123.87 1r63 h ILE 31 Ca -0.09 -0.05 -0.03 0.00 -0.12 0.00 0.00 64.86 64.57 1r63 h ILE 31 Cb 0.89 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 1r63 h ILE 31 CO 0.05 0.03 -0.10 -0.08 -0.68 0.00 0.00 178.15 177.36 1r63 h GLU 32 N 0.15 0.14 -0.66 2.37 4.81 -0.38 0.24 114.58 121.25 1r63 h GLU 32 Ca 0.62 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.80 1r63 h GLU 32 Cb 1.35 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 1r63 h GLU 32 CO -0.73 0.71 0.38 1.96 -0.73 0.00 0.00 179.01 180.60 1r63 h GLN 33 N -0.40 0.68 -0.62 1.92 4.20 -0.60 -2.12 115.11 118.17 1r63 h GLN 33 Ca -0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1r63 h GLN 33 Cb 0.71 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1r63 h GLN 33 CO 0.02 0.45 0.19 1.25 -0.67 0.00 0.00 178.83 180.07 1r63 h LEU 34 N 0.70 0.90 -0.17 1.46 6.46 -0.67 -1.37 115.31 122.61 1r63 h LEU 34 Ca 0.29 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1r63 h LEU 34 Cb 0.15 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 39.79 1r63 h LEU 34 CO -0.17 0.87 -0.48 -0.08 -0.62 0.00 0.00 178.44 177.97 1r63 h GLU 35 N 0.88 -0.45 0.00 1.25 4.81 0.05 -0.32 114.58 120.80 1r63 h GLU 35 Ca 0.20 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1r63 h GLU 35 Cb 0.29 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1r63 h GLU 35 CO -0.01 -0.30 0.00 0.27 -0.73 0.00 0.00 179.01 178.24 1r63 n ASN 36 N -5.04 0.00 -0.07 1.04 0.23 -0.85 -3.15 115.26 107.42 1r63 n ASN 36 Ca -0.05 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 54.46 1r63 n ASN 36 Cb 0.32 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 -1.01 1.17 0.08 4.83 0.00 -0.13 -4.73 105.19 105.40 1r63 n GLY 37 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1r63 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r63 h LYS 38 N 0.00 -0.04 -6.55 1.61 1.57 -1.42 -3.45 116.57 108.29 1r63 h LYS 38 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1r63 h LYS 38 Cb 0.46 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1r63 h LYS 38 CO 0.00 0.59 0.20 0.99 -0.57 0.00 0.00 179.45 180.66 1r63 s THR 39 N -3.37 4.33 -0.02 -0.16 2.01 -1.26 -4.97 115.64 112.21 1r63 s THR 39 Ca -0.16 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 1r63 s THR 39 Cb -0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1r63 s THR 39 CO 0.63 0.52 -0.02 2.29 -0.69 0.00 0.00 174.62 177.35 1r63 n LYS 40 N 1.57 0.04 -3.23 4.92 2.85 -1.26 -4.78 118.16 118.26 1r63 n LYS 40 Ca -0.05 0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 56.98 1r63 n LYS 40 Cb 0.48 -0.86 -0.07 0.00 -0.65 0.00 0.00 35.03 33.94 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1r63 n ARG 41 N -2.74 1.17 -1.41 -1.58 0.00 -1.26 -5.07 116.66 105.77 1r63 n ARG 41 Ca -0.03 -3.57 -0.36 0.00 -0.00 0.00 0.00 57.85 53.89 1r63 n ARG 41 Cb 0.53 -1.49 0.08 0.00 0.00 0.00 0.00 32.46 31.58 1r63 n ARG 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1r63 n PRO 42 N 1.15 0.58 -0.00 -0.14 -0.04 -1.26 -4.91 135.00 130.38 1r63 n PRO 42 Ca 0.23 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1r63 n PRO 42 Cb 0.51 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1r63 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r63 h ARG 43 N -0.13 -0.36 -0.53 0.54 -0.00 -2.03 -2.09 114.38 109.77 1r63 h ARG 43 Ca -0.48 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1r63 h ARG 43 Cb 1.34 0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.39 1r63 h ARG 43 CO 0.48 -0.24 0.00 1.97 0.00 0.00 0.00 179.97 182.17 1r63 n PHE 44 N -5.40 0.00 -0.30 3.04 -1.74 -1.26 -4.12 117.46 107.68 1r63 n PHE 44 Ca -0.03 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.89 1r63 n PHE 44 Cb 0.32 -0.05 0.17 0.00 1.52 0.00 0.00 39.48 41.44 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 0.17 0.71 0.20 5.98 5.85 -1.73 0.64 115.31 127.13 1r63 h LEU 45 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1r63 h LEU 45 Cb 0.26 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1r63 h LEU 45 CO 0.00 0.41 -0.33 -0.65 -0.34 0.00 0.00 178.44 177.53 1r63 h PRO 46 N 0.82 -0.58 -0.57 5.25 0.11 -1.85 0.06 132.00 135.24 1r63 h PRO 46 Ca 0.40 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.58 1r63 h PRO 46 Cb 0.34 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1r63 h PRO 46 CO -0.24 -0.39 0.34 0.93 -0.21 0.00 0.00 178.00 178.44 1r63 h GLU 47 N -0.60 0.65 -0.16 1.05 3.07 -1.68 -0.20 114.58 116.71 1r63 h GLU 47 Ca 0.01 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1r63 h GLU 47 Cb 0.60 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.30 1r63 h GLU 47 CO -0.15 0.43 -0.23 1.25 -1.40 0.00 0.00 179.01 178.91 1r63 h LEU 48 N 0.67 -0.73 -0.17 1.33 7.12 -0.79 0.65 115.31 123.38 1r63 h LEU 48 Ca 0.23 0.12 0.05 0.00 0.13 0.00 0.00 57.88 58.42 1r63 h LEU 48 Cb 0.04 0.33 -0.06 0.00 -0.53 0.00 0.00 40.66 40.45 1r63 h LEU 48 CO -0.11 -0.28 -0.19 0.00 -0.13 0.00 0.00 178.44 177.73 1r63 h ALA 49 N 0.70 -0.10 -0.43 1.25 0.00 0.03 -0.36 119.26 120.36 1r63 h ALA 49 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1r63 h ALA 49 Cb 0.45 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1r63 h ALA 49 CO -0.32 -0.63 0.20 0.66 0.00 0.00 0.00 179.25 179.16 1r63 h SER 50 N -0.22 0.57 -0.32 0.00 4.64 -0.74 0.42 113.55 117.89 1r63 h SER 50 Ca 0.11 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1r63 h SER 50 Cb 0.39 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1r63 h SER 50 CO -0.30 0.54 0.13 0.00 -0.87 0.00 0.00 176.83 176.33 1r63 h ALA 51 N 1.05 0.42 0.00 5.18 0.00 -0.48 0.17 119.26 125.60 1r63 h ALA 51 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1r63 h ALA 51 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1r63 h ALA 51 CO -0.02 0.02 -0.18 1.25 0.00 0.00 0.00 179.25 180.32 1r63 h LEU 52 N 0.38 0.00 -0.66 0.00 7.12 -1.01 -3.48 115.31 117.66 1r63 h LEU 52 Ca 0.11 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.10 1r63 h LEU 52 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1r63 h LEU 52 CO -0.01 0.18 -0.03 0.61 -0.13 0.00 0.00 178.44 179.07 1r63 n GLY 53 N -0.50 0.73 2.40 3.75 0.00 0.13 -4.95 105.19 106.75 1r63 n GLY 53 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 1r63 n GLY 53 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r63 n VAL 54 N -3.02 0.00 -3.22 1.61 0.24 -0.21 -4.99 118.33 108.73 1r63 n VAL 54 Ca -0.00 -1.73 -0.25 0.00 -2.04 0.00 0.00 64.34 60.31 1r63 n VAL 54 Cb 0.50 0.69 -0.01 0.00 -1.47 0.00 0.00 33.84 33.55 1r63 n VAL 54 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1r63 s SER 55 N -2.78 6.31 0.12 -1.34 1.04 -1.26 -4.04 113.70 111.75 1r63 s SER 55 Ca 0.19 0.59 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 1r63 s SER 55 Cb 0.01 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1r63 s SER 55 CO 0.13 -0.34 1.76 0.58 0.98 0.00 0.00 173.24 176.36 1r63 h VAL 56 N 0.74 1.08 -0.30 5.02 2.07 -1.92 -0.31 116.25 122.63 1r63 h VAL 56 Ca -0.49 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1r63 h VAL 56 Cb 1.21 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1r63 h VAL 56 CO 0.62 0.08 -0.08 -2.24 0.02 0.00 0.00 177.57 175.96 1r63 h ASP 57 N 0.31 -0.30 -0.37 0.57 3.04 -1.99 0.50 116.42 118.19 1r63 h ASP 57 Ca 0.09 0.09 0.01 0.00 -3.24 0.00 0.00 57.03 53.98 1r63 h ASP 57 Cb -0.01 0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 38.46 1r63 h ASP 57 CO -0.02 -0.11 0.23 -0.25 -2.04 0.00 0.00 179.24 177.05 1r63 h TRP 58 N -0.01 0.43 -0.50 4.15 7.01 -1.83 0.13 115.95 125.32 1r63 h TRP 58 Ca 0.15 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.25 1r63 h TRP 58 Cb 0.23 -0.14 -0.08 0.00 -2.10 0.00 0.00 29.16 27.08 1r63 h TRP 58 CO -0.29 0.26 0.05 -0.07 -2.79 0.00 0.00 178.44 175.60 1r63 h LEU 59 N 0.46 -0.11 -0.24 0.65 3.38 -0.48 0.59 115.31 119.55 1r63 h LEU 59 Ca 0.14 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1r63 h LEU 59 Cb -0.02 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1r63 h LEU 59 CO -0.05 -0.03 0.03 0.25 0.09 0.00 0.00 178.44 178.74 1r63 h LEU 60 N 0.17 0.39 0.00 1.67 5.85 -0.24 -3.36 115.31 119.78 1r63 h LEU 60 Ca 0.25 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1r63 h LEU 60 Cb 0.37 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1r63 h LEU 60 CO -0.38 0.55 -0.45 0.78 -0.34 0.00 0.00 178.44 178.61 1r63 h ASN 61 N 0.20 0.00 0.00 1.25 2.35 -0.52 -3.49 115.58 115.37 1r63 h ASN 61 Ca 0.07 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1r63 h ASN 61 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1r63 h ASN 61 CO 0.01 0.82 0.00 0.61 -1.65 0.00 0.00 177.43 177.22 1r63 n GLY 62 N 1.63 1.69 0.00 2.83 0.00 0.20 -5.04 105.19 106.51 1r63 n GLY 62 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95