#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r63 n ILE 2 N 0.00 1.53 -0.16 -1.33 3.06 -1.26 -4.60 119.36 116.59 1r63 n ILE 2 Ca 0.00 -0.25 -0.13 0.00 -2.50 0.00 0.00 62.75 59.86 1r63 n ILE 2 Cb 0.00 -1.96 -0.10 0.00 0.54 0.00 0.00 39.64 38.12 1r63 n ILE 2 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1r63 h SER 3 N -1.00 -1.87 -0.65 9.51 0.87 -1.78 0.87 113.55 119.50 1r63 h SER 3 Ca -0.56 0.25 0.14 0.00 -1.23 0.00 0.00 61.79 60.38 1r63 h SER 3 Cb 1.48 0.77 -0.11 0.00 -0.44 0.00 0.00 62.40 64.11 1r63 h SER 3 CO -0.34 -0.38 0.05 0.28 -0.53 0.00 0.00 176.83 175.91 1r63 h SER 4 N -0.36 -0.20 0.55 6.23 0.02 -1.85 0.39 113.55 118.34 1r63 h SER 4 Ca 0.08 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1r63 h SER 4 Cb 0.57 0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1r63 h SER 4 CO -0.62 -0.09 -0.26 0.03 -1.14 0.00 0.00 176.83 174.75 1r63 h ARG 5 N 0.16 -0.71 -0.13 3.45 3.08 -1.18 -0.16 114.38 118.89 1r63 h ARG 5 Ca 0.35 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.49 1r63 h ARG 5 Cb 0.57 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 1r63 h ARG 5 CO -0.52 -0.42 -0.21 0.28 -1.07 0.00 0.00 179.97 178.03 1r63 h VAL 6 N -0.88 0.47 0.50 2.04 2.07 -0.32 0.18 116.25 120.30 1r63 h VAL 6 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1r63 h VAL 6 Cb 0.62 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1r63 h VAL 6 CO 0.12 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.71 1r63 h LYS 7 N -0.27 -0.96 -0.67 1.57 1.63 -0.97 -0.52 116.57 116.38 1r63 h LYS 7 Ca 0.10 0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.03 1r63 h LYS 7 Cb 0.42 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 1r63 h LYS 7 CO -0.29 -0.64 0.44 0.66 -3.45 0.00 0.00 179.45 176.17 1r63 h SER 8 N -1.00 0.58 -0.06 4.20 4.64 -0.47 0.44 113.55 121.87 1r63 h SER 8 Ca -0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1r63 h SER 8 Cb 0.87 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1r63 h SER 8 CO -0.06 0.37 -0.08 0.50 -0.87 0.00 0.00 176.83 176.69 1r63 h LYS 9 N 0.66 0.16 -0.49 4.77 1.63 -0.38 0.28 116.57 123.20 1r63 h LYS 9 Ca 0.29 -0.09 0.10 0.00 -0.85 0.00 0.00 60.65 60.10 1r63 h LYS 9 Cb 0.30 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.85 1r63 h LYS 9 CO -0.09 0.63 -0.04 -0.09 -3.45 0.00 0.00 179.45 176.41 1r63 h ARG 10 N -0.30 0.07 0.35 1.90 1.12 -0.33 0.73 114.38 117.93 1r63 h ARG 10 Ca 0.01 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 1r63 h ARG 10 Cb 0.61 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1r63 h ARG 10 CO 0.02 0.05 -0.18 0.82 -3.11 0.00 0.00 179.97 177.57 1r63 h ILE 11 N 0.08 0.64 -0.51 1.20 1.08 -0.85 -1.21 117.51 117.93 1r63 h ILE 11 Ca 0.24 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.62 1r63 h ILE 11 Cb 0.37 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1r63 h ILE 11 CO -0.44 0.00 -0.05 0.06 -0.69 0.00 0.00 178.15 177.03 1r63 h GLN 12 N -0.48 0.90 -0.34 2.37 -0.00 0.22 0.14 115.11 117.92 1r63 h GLN 12 Ca -0.05 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.28 1r63 h GLN 12 Cb 0.37 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.75 1r63 h GLN 12 CO 0.07 0.93 0.06 -0.07 -0.00 0.00 0.00 178.83 179.82 1r63 h LEU 13 N 0.82 0.45 -1.88 0.06 4.07 -0.87 -3.47 115.31 114.49 1r63 h LEU 13 Ca 0.15 -0.06 -0.17 0.00 0.08 0.00 0.00 57.88 57.87 1r63 h LEU 13 Cb 0.56 -0.12 0.09 0.00 1.08 0.00 0.00 40.66 42.27 1r63 h LEU 13 CO 0.03 0.48 -0.41 0.61 -1.08 0.00 0.00 178.44 178.07 1r63 n GLY 14 N -1.04 0.01 2.81 0.83 0.00 0.48 -5.04 105.19 103.23 1r63 n GLY 14 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.29 0.87 1.02 0.99 1.43 -1.15 -5.07 118.68 112.48 1r63 s LEU 15 Ca 0.02 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1r63 s LEU 15 Cb -0.00 -0.38 0.20 0.00 0.03 0.00 0.00 46.19 46.04 1r63 s LEU 15 CO 0.38 -0.14 1.17 0.54 0.23 0.00 0.00 176.35 178.53 1r63 s ASN 16 N 1.52 2.51 0.15 2.29 2.20 -1.26 -4.53 114.94 117.81 1r63 s ASN 16 Ca -0.02 0.71 -0.15 0.00 -0.94 0.00 0.00 52.86 52.46 1r63 s ASN 16 Cb -0.13 -1.07 0.02 0.00 -2.00 0.00 0.00 41.25 38.07 1r63 s ASN 16 CO -0.03 -3.15 1.74 1.56 -2.94 0.00 0.00 177.10 174.28 1r63 h GLN 17 N -1.91 0.63 -0.63 3.55 4.20 -1.99 -0.24 115.11 118.71 1r63 h GLN 17 Ca -0.48 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 1r63 h GLN 17 Cb 1.30 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1r63 h GLN 17 CO 0.47 0.52 0.29 0.00 -0.67 0.00 0.00 178.83 179.44 1r63 h ALA 18 N 1.08 0.82 0.28 3.87 0.00 -1.92 0.86 119.26 124.24 1r63 h ALA 18 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r63 h ALA 18 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1r63 h ALA 18 CO -0.02 0.40 -0.28 1.49 0.00 0.00 0.00 179.25 180.84 1r63 h GLU 19 N 0.88 -0.57 0.25 0.00 4.57 -1.81 -0.11 114.58 117.79 1r63 h GLU 19 Ca 0.22 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1r63 h GLU 19 Cb 0.14 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1r63 h GLU 19 CO -0.02 -0.38 -0.38 1.25 -1.18 0.00 0.00 179.01 178.29 1r63 h LEU 20 N -0.59 -1.08 -1.05 1.64 6.46 -0.91 -1.85 115.31 117.93 1r63 h LEU 20 Ca -0.01 0.11 0.27 0.00 -0.12 0.00 0.00 57.88 58.13 1r63 h LEU 20 Cb 0.54 0.39 -0.13 0.00 -0.73 0.00 0.00 40.66 40.73 1r63 h LEU 20 CO -0.06 -0.49 0.60 0.00 -0.62 0.00 0.00 178.44 177.87 1r63 h ALA 21 N -0.22 1.90 -0.44 1.25 0.00 -0.60 0.03 119.26 121.17 1r63 h ALA 21 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1r63 h ALA 21 Cb 0.67 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1r63 h ALA 21 CO -0.15 -0.40 0.09 0.37 0.00 0.00 0.00 179.25 179.16 1r63 h GLN 22 N 0.49 0.22 -1.00 0.00 -0.00 -0.13 0.07 115.11 114.76 1r63 h GLN 22 Ca 0.66 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 59.31 1r63 h GLN 22 Cb 1.39 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.77 1r63 h GLN 22 CO -0.48 0.14 0.67 0.87 0.00 0.00 0.00 178.83 180.02 1r63 h LYS 23 N 0.22 1.31 0.00 1.69 1.57 -0.96 -0.52 116.57 119.89 1r63 h LYS 23 Ca 0.22 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1r63 h LYS 23 Cb 0.27 -0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1r63 h LYS 23 CO -0.28 0.87 0.00 0.28 -0.57 0.00 0.00 179.45 179.75 1r63 h VAL 24 N 1.35 0.00 -2.49 0.50 2.07 -1.14 -3.47 116.25 113.07 1r63 h VAL 24 Ca 0.37 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 1r63 h VAL 24 Cb -0.14 1.18 0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1r63 h VAL 24 CO -0.09 0.00 -0.20 0.61 0.02 0.00 0.00 177.57 177.91 1r63 n GLY 25 N 0.11 0.49 0.00 2.17 0.00 -0.20 -4.91 105.19 102.84 1r63 n GLY 25 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.13 0.00 -4.25 2.61 5.66 -0.14 -5.02 114.28 110.01 1r63 n THR 26 Ca -0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 1r63 n THR 26 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.09 3.59 0.56 1.09 -4.23 -1.26 -3.49 115.64 109.80 1r63 s THR 27 Ca 0.00 -1.71 0.29 0.00 -1.18 0.00 0.00 61.69 59.08 1r63 s THR 27 Cb 0.00 -2.88 0.42 0.00 1.34 0.00 0.00 72.50 71.38 1r63 s THR 27 CO 0.00 -0.28 1.93 -0.61 -0.54 0.00 0.00 174.62 175.12 1r63 h GLN 28 N 2.15 0.00 -0.06 3.99 4.15 -1.86 0.75 115.11 124.23 1r63 h GLN 28 Ca -0.46 0.00 0.03 0.00 0.77 0.00 0.00 58.65 58.99 1r63 h GLN 28 Cb 1.23 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.86 1r63 h GLN 28 CO 0.59 0.00 -0.54 0.37 -1.93 0.00 0.00 178.83 177.32 1r63 h GLN 29 N 0.00 -0.61 0.10 1.69 -0.00 -1.96 -0.40 115.11 113.93 1r63 h GLN 29 Ca 0.28 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1r63 h GLN 29 Cb 1.26 0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.88 1r63 h GLN 29 CO -0.00 -0.41 -0.05 1.03 0.00 0.00 0.00 178.83 179.40 1r63 h SER 30 N -0.63 -0.12 -0.65 -0.69 0.87 -1.30 -3.13 113.55 107.90 1r63 h SER 30 Ca 0.02 -0.23 0.13 0.00 -1.23 0.00 0.00 61.79 60.49 1r63 h SER 30 Cb 0.71 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 62.60 1r63 h SER 30 CO -0.39 0.17 0.11 0.40 -0.53 0.00 0.00 176.83 176.58 1r63 h ILE 31 N -0.41 0.55 -0.68 2.23 5.03 -1.20 -0.74 117.51 122.30 1r63 h ILE 31 Ca -0.01 -0.08 0.12 0.00 -0.12 0.00 0.00 64.86 64.77 1r63 h ILE 31 Cb 0.34 0.31 -0.12 0.00 -3.03 0.00 0.00 36.82 34.32 1r63 h ILE 31 CO 0.02 0.04 -0.33 -0.08 -0.68 0.00 0.00 178.15 177.12 1r63 h GLU 32 N 0.22 -0.12 0.00 2.37 4.57 -1.01 0.16 114.58 120.77 1r63 h GLU 32 Ca 0.35 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1r63 h GLU 32 Cb 0.57 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1r63 h GLU 32 CO -0.48 -0.08 -0.03 -0.56 -1.18 0.00 0.00 179.01 176.68 1r63 h GLN 33 N -0.12 0.00 0.06 1.92 3.07 -1.12 0.13 115.11 119.06 1r63 h GLN 33 Ca 0.26 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.68 1r63 h GLN 33 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.09 1r63 h GLN 33 CO -0.75 0.03 -1.77 -0.11 0.09 0.00 0.00 178.83 176.32 1r63 n LEU 34 N -3.58 2.31 -0.29 0.06 7.94 -0.14 -0.03 117.00 123.27 1r63 n LEU 34 Ca -0.03 0.28 -0.03 0.00 -1.11 0.00 0.00 56.01 55.13 1r63 n LEU 34 Cb 0.13 -1.03 0.09 0.00 0.53 0.00 0.00 43.42 43.14 1r63 n LEU 34 CO 0.26 0.61 1.20 -0.08 -1.11 0.00 0.00 177.39 178.27 1r63 h GLU 35 N -0.43 1.00 0.00 1.96 4.81 -0.52 0.38 114.58 121.79 1r63 h GLU 35 Ca -0.42 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1r63 h GLU 35 Cb 1.71 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 1r63 h GLU 35 CO -0.07 0.66 -0.08 -2.95 -0.73 0.00 0.00 179.01 175.83 1r63 h ASN 36 N 1.03 0.00 0.00 1.04 7.08 -0.90 -3.40 115.58 120.42 1r63 h ASN 36 Ca 0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 1r63 h ASN 36 Cb -0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.19 1r63 h ASN 36 CO -0.09 0.08 0.00 0.61 -2.08 0.00 0.00 177.43 175.95 1r63 n GLY 37 N 0.67 0.48 0.22 9.14 0.00 0.13 -4.84 105.19 110.98 1r63 n GLY 37 Ca 0.02 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -6.61 1.61 1.57 -0.70 -3.41 116.57 109.02 1r63 h LYS 38 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1r63 h LYS 38 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1r63 h LYS 38 CO 0.00 0.00 0.19 0.99 -0.57 0.00 0.00 179.45 180.06 1r63 s THR 39 N -3.43 4.41 0.00 -0.16 2.01 -0.31 -5.00 115.64 113.16 1r63 s THR 39 Ca 0.04 1.57 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1r63 s THR 39 Cb 0.08 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1r63 s THR 39 CO 0.56 0.32 0.00 1.17 -0.69 0.00 0.00 174.62 175.98 1r63 n LYS 40 N 1.04 0.00 -3.86 4.92 3.00 -1.26 -4.85 118.16 117.15 1r63 n LYS 40 Ca -0.03 0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 58.26 1r63 n LYS 40 Cb 0.50 -0.75 -0.12 0.00 0.00 0.00 0.00 35.03 34.65 1r63 n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1r63 s ARG 41 N -0.94 2.15 0.67 1.64 6.06 -1.26 -5.03 118.95 122.23 1r63 s ARG 41 Ca 0.00 -2.98 -0.14 0.00 -2.50 0.00 0.00 55.73 50.11 1r63 s ARG 41 Cb 0.00 -3.17 0.00 0.00 0.06 0.00 0.00 34.95 31.84 1r63 s ARG 41 CO 0.00 -1.24 1.09 -1.25 -2.50 0.00 0.00 175.30 171.40 1r63 s PRO 42 N -0.93 2.82 0.00 5.12 0.04 -1.26 -4.91 135.00 135.89 1r63 s PRO 42 Ca 0.23 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1r63 s PRO 42 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1r63 s PRO 42 CO -0.11 -1.22 1.28 2.89 0.04 0.00 0.00 177.00 179.88 1r63 n ARG 43 N -2.55 1.00 -1.51 4.56 -4.01 -1.26 -2.92 116.66 109.96 1r63 n ARG 43 Ca 0.10 0.00 -0.04 0.00 -1.04 0.00 0.00 57.85 56.86 1r63 n ARG 43 Cb 0.52 -1.00 0.01 0.00 -3.04 0.00 0.00 32.46 28.95 1r63 n ARG 43 CO 0.00 0.00 0.00 1.97 -3.04 0.00 0.00 177.63 176.56 1r63 n PHE 44 N 0.78 -0.66 0.13 2.89 1.16 -1.26 -5.06 117.46 115.44 1r63 n PHE 44 Ca 0.00 -0.80 -0.14 0.00 -1.87 0.00 0.00 57.45 54.64 1r63 n PHE 44 Cb 0.50 0.82 -0.07 0.00 -1.61 0.00 0.00 39.48 39.12 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 0.32 -1.10 -1.97 5.98 5.85 -1.92 -0.19 115.31 122.29 1r63 h LEU 45 Ca -0.43 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1r63 h LEU 45 Cb 1.25 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1r63 h LEU 45 CO -0.21 -0.46 -0.09 1.55 -0.34 0.00 0.00 178.44 178.89 1r63 h PRO 46 N -0.63 0.00 0.06 5.25 0.13 -1.97 0.48 132.00 135.32 1r63 h PRO 46 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1r63 h PRO 46 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1r63 h PRO 46 CO -0.20 0.09 -0.03 0.93 -0.23 0.00 0.00 178.00 178.56 1r63 h GLU 47 N 0.00 -0.08 -0.81 0.86 3.07 -1.60 -0.14 114.58 115.89 1r63 h GLU 47 Ca -0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1r63 h GLU 47 Cb 0.19 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 1r63 h GLU 47 CO 0.01 0.35 0.40 1.25 -1.40 0.00 0.00 179.01 179.62 1r63 h LEU 48 N -0.53 1.04 -0.57 1.33 6.46 -0.81 0.83 115.31 123.06 1r63 h LEU 48 Ca -0.01 -0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1r63 h LEU 48 Cb 0.46 -0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.05 1r63 h LEU 48 CO 0.01 0.87 0.13 0.00 -0.62 0.00 0.00 178.44 178.84 1r63 h ALA 49 N 1.21 0.67 -0.47 1.25 0.00 -0.85 -0.83 119.26 120.24 1r63 h ALA 49 Ca 0.28 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1r63 h ALA 49 Cb 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1r63 h ALA 49 CO -0.04 -0.29 0.28 1.03 0.00 0.00 0.00 179.25 180.23 1r63 h SER 50 N 0.27 0.57 0.06 0.00 0.87 0.37 0.31 113.55 116.01 1r63 h SER 50 Ca 0.29 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1r63 h SER 50 Cb 0.42 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1r63 h SER 50 CO -0.37 0.46 -0.25 0.00 -0.53 0.00 0.00 176.83 176.14 1r63 h ALA 51 N 1.13 -0.39 0.00 6.23 0.00 0.20 0.01 119.26 126.44 1r63 h ALA 51 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1r63 h ALA 51 Cb 0.00 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r63 h ALA 51 CO -0.03 -0.77 -0.15 -0.07 0.00 0.00 0.00 179.25 178.23 1r63 h LEU 52 N -0.43 0.00 -2.28 0.00 3.38 -1.10 -3.47 115.31 111.41 1r63 h LEU 52 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1r63 h LEU 52 Cb 0.48 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.30 1r63 h LEU 52 CO -0.18 0.15 -0.31 0.61 0.09 0.00 0.00 178.44 178.79 1r63 n GLY 53 N -1.05 0.13 3.18 0.83 0.00 0.89 -5.06 105.19 104.11 1r63 n GLY 53 Ca -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.14 0.25 0.63 1.61 -7.23 0.04 -5.01 120.40 107.54 1r63 s VAL 54 Ca 0.08 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 1r63 s VAL 54 Cb -0.01 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1r63 s VAL 54 CO 0.28 -0.44 1.08 -0.94 -0.31 0.00 0.00 175.10 174.78 1r63 s SER 55 N -3.09 5.46 0.19 4.85 1.04 -1.26 -4.17 113.70 116.72 1r63 s SER 55 Ca 0.25 1.90 -0.16 0.00 0.48 0.00 0.00 55.95 58.42 1r63 s SER 55 Cb 0.07 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.81 1r63 s SER 55 CO 0.03 -1.39 1.64 0.58 0.98 0.00 0.00 173.24 175.08 1r63 h VAL 56 N 0.22 0.45 -0.60 5.02 2.07 -1.91 -2.75 116.25 118.75 1r63 h VAL 56 Ca -0.47 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.17 1r63 h VAL 56 Cb 1.23 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1r63 h VAL 56 CO 0.56 0.00 0.09 -0.78 0.02 0.00 0.00 177.57 177.46 1r63 h ASP 57 N -0.03 -0.07 -0.68 0.57 3.58 -1.98 0.13 116.42 117.94 1r63 h ASP 57 Ca 0.25 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 1r63 h ASP 57 Cb 0.40 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1r63 h ASP 57 CO -0.54 -0.03 0.32 -0.25 -2.88 0.00 0.00 179.24 175.87 1r63 h TRP 58 N 0.22 0.99 -0.11 0.28 7.01 -1.83 0.13 115.95 122.63 1r63 h TRP 58 Ca 0.31 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1r63 h TRP 58 Cb 0.48 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1r63 h TRP 58 CO -0.28 0.74 0.01 -0.07 -2.79 0.00 0.00 178.44 176.06 1r63 h LEU 59 N 0.95 0.18 0.75 0.65 3.38 -1.22 -1.06 115.31 118.95 1r63 h LEU 59 Ca 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1r63 h LEU 59 Cb 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1r63 h LEU 59 CO -0.03 0.41 -0.41 0.25 0.09 0.00 0.00 178.44 178.75 1r63 h LEU 60 N -0.05 -1.01 0.00 1.67 5.85 -0.19 -3.42 115.31 118.16 1r63 h LEU 60 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1r63 h LEU 60 Cb 0.31 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1r63 h LEU 60 CO 0.00 -0.66 0.00 -0.46 -0.34 0.00 0.00 178.44 176.98 1r63 n ASN 61 N -5.05 0.00 -0.90 1.25 0.23 0.40 -4.87 115.26 106.32 1r63 n ASN 61 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1r63 n ASN 61 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1r63 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r63 n GLY 62 N 2.57 -3.55 2.68 4.83 0.00 -0.40 -4.55 105.19 106.77 1r63 n GLY 62 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95