#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 1.44 -0.34 -1.33 2.10 -1.94 -3.29 117.51 114.15 1r63 h ILE 2 Ca 0.00 -2.51 0.07 0.00 1.08 0.00 0.00 64.86 63.50 1r63 h ILE 2 Cb 0.00 3.13 -0.09 0.00 -1.09 0.00 0.00 36.82 38.77 1r63 h ILE 2 CO 0.00 0.71 -0.39 0.77 -1.08 0.00 0.00 178.15 178.16 1r63 h SER 3 N -0.39 -1.28 -0.49 2.19 4.64 -1.81 0.78 113.55 117.19 1r63 h SER 3 Ca -0.17 0.20 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1r63 h SER 3 Cb 1.64 0.56 -0.07 0.00 -0.31 0.00 0.00 62.40 64.22 1r63 h SER 3 CO 0.13 -0.36 0.07 0.77 -0.87 0.00 0.00 176.83 176.57 1r63 h SER 4 N -0.34 -0.06 0.33 4.97 4.64 -1.83 -0.02 113.55 121.24 1r63 h SER 4 Ca 0.13 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1r63 h SER 4 Cb 0.58 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1r63 h SER 4 CO -0.52 -0.00 -0.28 0.03 -0.87 0.00 0.00 176.83 175.19 1r63 h ARG 5 N 0.20 -0.60 -0.24 4.77 3.08 -1.33 0.18 114.38 120.44 1r63 h ARG 5 Ca 0.25 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.39 1r63 h ARG 5 Cb 0.34 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1r63 h ARG 5 CO -0.35 -0.40 -0.11 0.28 -1.07 0.00 0.00 179.97 178.33 1r63 h VAL 6 N -0.62 0.66 0.14 2.04 2.07 -0.40 0.27 116.25 120.39 1r63 h VAL 6 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1r63 h VAL 6 Cb 0.55 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1r63 h VAL 6 CO -0.02 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.84 1r63 h LYS 7 N -0.07 -0.42 -0.48 1.57 3.64 -0.90 -0.08 116.57 119.83 1r63 h LYS 7 Ca 0.13 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1r63 h LYS 7 Cb 0.26 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1r63 h LYS 7 CO -0.29 -0.28 0.18 0.66 -2.27 0.00 0.00 179.45 177.45 1r63 h SER 8 N -0.44 0.21 -0.15 4.20 4.64 -0.12 0.35 113.55 122.24 1r63 h SER 8 Ca 0.02 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1r63 h SER 8 Cb 0.45 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1r63 h SER 8 CO -0.12 0.15 0.08 0.11 -0.87 0.00 0.00 176.83 176.18 1r63 h LYS 9 N 0.37 0.21 -0.50 4.77 1.79 -0.68 0.42 116.57 122.95 1r63 h LYS 9 Ca 0.23 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.72 1r63 h LYS 9 Cb 0.22 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1r63 h LYS 9 CO -0.22 0.24 0.22 -0.09 -1.08 0.00 0.00 179.45 178.52 1r63 h ARG 10 N 0.13 0.42 -0.20 3.15 2.43 -0.35 0.07 114.38 120.03 1r63 h ARG 10 Ca 0.05 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1r63 h ARG 10 Cb 0.09 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1r63 h ARG 10 CO -0.01 0.28 -0.34 0.82 -1.51 0.00 0.00 179.97 179.21 1r63 h ILE 11 N 0.43 1.29 -0.30 1.20 1.08 -0.58 0.39 117.51 121.02 1r63 h ILE 11 Ca 0.23 -1.40 -0.04 0.00 -0.39 0.00 0.00 64.86 63.26 1r63 h ILE 11 Cb 0.20 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1r63 h ILE 11 CO -0.20 0.44 0.03 -0.61 -0.69 0.00 0.00 178.15 177.12 1r63 h GLN 12 N 0.35 0.52 -0.39 2.37 4.15 0.61 -0.04 115.11 122.68 1r63 h GLN 12 Ca 0.04 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1r63 h GLN 12 Cb 0.76 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1r63 h GLN 12 CO 0.06 0.63 0.11 -0.07 -1.93 0.00 0.00 178.83 177.64 1r63 h LEU 13 N 0.33 0.52 -0.23 -2.39 4.07 -0.87 -3.47 115.31 113.27 1r63 h LEU 13 Ca 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1r63 h LEU 13 Cb 0.38 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1r63 h LEU 13 CO 0.01 0.51 0.00 0.61 -1.08 0.00 0.00 178.44 178.49 1r63 n GLY 14 N -1.09 0.73 3.88 0.83 0.00 0.13 -5.07 105.19 104.60 1r63 n GLY 14 Ca 0.02 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.23 4.35 0.54 0.99 1.43 -0.50 -4.97 118.68 120.29 1r63 s LEU 15 Ca 0.00 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 1r63 s LEU 15 Cb 0.00 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.29 1r63 s LEU 15 CO 0.00 0.20 1.00 0.54 0.23 0.00 0.00 176.35 178.32 1r63 s ASN 16 N -1.83 6.48 0.27 2.29 6.03 -1.26 -4.46 114.94 122.46 1r63 s ASN 16 Ca 0.31 1.57 -0.01 0.00 -1.03 0.00 0.00 52.86 53.70 1r63 s ASN 16 Cb -0.13 -2.50 0.59 0.00 -3.03 0.00 0.00 41.25 36.17 1r63 s ASN 16 CO 0.18 -0.69 1.70 -0.61 -2.03 0.00 0.00 177.10 175.65 1r63 h GLN 17 N 0.66 0.35 0.29 3.55 4.15 -1.98 -1.60 115.11 120.52 1r63 h GLN 17 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1r63 h GLN 17 Cb 1.19 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 1r63 h GLN 17 CO 0.61 0.23 -0.31 0.00 -1.93 0.00 0.00 178.83 177.43 1r63 h ALA 18 N 1.65 -0.65 -0.53 3.38 0.00 -1.93 0.57 119.26 121.75 1r63 h ALA 18 Ca 0.48 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.41 1r63 h ALA 18 Cb 0.86 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1r63 h ALA 18 CO -0.51 -0.90 -0.17 0.93 0.00 0.00 0.00 179.25 178.60 1r63 h GLU 19 N -0.64 -0.04 0.12 0.00 4.39 -1.71 0.17 114.58 116.87 1r63 h GLU 19 Ca -0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1r63 h GLU 19 Cb 0.59 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1r63 h GLU 19 CO -0.08 -0.03 -0.27 1.25 -1.16 0.00 0.00 179.01 178.73 1r63 h LEU 20 N -0.04 -0.76 -0.32 1.33 5.85 -0.85 -1.35 115.31 119.17 1r63 h LEU 20 Ca 0.25 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.13 1r63 h LEU 20 Cb 0.43 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1r63 h LEU 20 CO -0.57 -0.36 -0.31 0.00 -0.34 0.00 0.00 178.44 176.87 1r63 h ALA 21 N 0.25 -0.20 -0.43 1.25 0.00 -0.08 -1.67 119.26 118.38 1r63 h ALA 21 Ca 0.03 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1r63 h ALA 21 Cb 0.51 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1r63 h ALA 21 CO -0.16 -0.72 -0.24 1.96 0.00 0.00 0.00 179.25 180.09 1r63 h GLN 22 N -0.28 -0.15 -0.33 0.00 7.50 -0.26 0.36 115.11 121.97 1r63 h GLN 22 Ca 0.15 0.01 -0.15 0.00 0.50 0.00 0.00 58.65 59.17 1r63 h GLN 22 Cb 0.52 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 1r63 h GLN 22 CO -0.47 -0.10 -0.38 1.57 -1.50 0.00 0.00 178.83 177.94 1r63 h LYS 23 N -0.15 0.78 0.00 1.46 2.10 -0.98 -0.98 116.57 118.79 1r63 h LYS 23 Ca 0.20 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1r63 h LYS 23 Cb 0.47 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1r63 h LYS 23 CO -0.52 1.03 0.00 0.28 -2.00 0.00 0.00 179.45 178.23 1r63 h VAL 24 N 0.64 0.00 0.00 0.07 2.07 -0.50 -3.46 116.25 115.07 1r63 h VAL 24 Ca 0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1r63 h VAL 24 Cb 0.94 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1r63 h VAL 24 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1r63 n GLY 25 N -0.45 2.67 1.73 2.17 0.00 0.12 -4.98 105.19 106.46 1r63 n GLY 25 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.44 2.61 5.66 -0.99 -4.78 114.28 113.33 1r63 n THR 26 Ca 0.00 -0.18 -0.29 0.00 -3.05 0.00 0.00 64.05 60.53 1r63 n THR 26 Cb 0.00 -0.95 -0.04 0.00 -1.55 0.00 0.00 70.33 67.80 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 -1.88 5.05 0.29 1.09 -4.23 -1.26 -3.95 115.64 110.75 1r63 s THR 27 Ca 0.36 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1r63 s THR 27 Cb -0.04 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.43 1r63 s THR 27 CO 0.28 -0.21 1.63 -0.61 -0.54 0.00 0.00 174.62 175.16 1r63 h GLN 28 N 2.01 0.15 -0.19 3.99 -0.00 -1.87 -0.64 115.11 118.56 1r63 h GLN 28 Ca -0.47 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.22 1r63 h GLN 28 Cb 1.18 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.57 1r63 h GLN 28 CO 0.68 0.10 -0.19 0.37 0.00 0.00 0.00 178.83 179.79 1r63 h GLN 29 N 0.15 -0.20 -0.55 1.69 5.75 -1.96 0.13 115.11 120.12 1r63 h GLN 29 Ca 0.56 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 59.15 1r63 h GLN 29 Cb 1.16 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.69 1r63 h GLN 29 CO -0.71 -0.13 0.22 0.77 -2.65 0.00 0.00 178.83 176.33 1r63 h SER 30 N -0.21 0.26 -0.23 -0.69 0.02 -1.51 0.25 113.55 111.44 1r63 h SER 30 Ca 0.12 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1r63 h SER 30 Cb 0.39 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1r63 h SER 30 CO -0.31 0.17 0.08 0.40 -1.14 0.00 0.00 176.83 176.03 1r63 h ILE 31 N 0.42 1.19 -0.51 3.27 5.03 -0.97 -2.46 117.51 123.48 1r63 h ILE 31 Ca 0.27 -0.58 0.10 0.00 -0.12 0.00 0.00 64.86 64.53 1r63 h ILE 31 Cb 0.27 1.14 -0.09 0.00 -3.03 0.00 0.00 36.82 35.11 1r63 h ILE 31 CO -0.25 0.19 -0.05 -0.08 -0.68 0.00 0.00 178.15 177.28 1r63 h GLU 32 N 0.21 0.06 -0.84 2.37 4.57 -0.04 0.32 114.58 121.23 1r63 h GLU 32 Ca 0.08 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.38 1r63 h GLU 32 Cb 0.22 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1r63 h GLU 32 CO -0.00 0.04 0.55 1.96 -1.18 0.00 0.00 179.01 180.37 1r63 h GLN 33 N 0.06 0.66 0.05 1.92 1.08 -0.79 0.38 115.11 118.47 1r63 h GLN 33 Ca 0.25 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1r63 h GLN 33 Cb 0.39 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1r63 h GLN 33 CO -0.47 0.44 -0.43 1.25 -0.95 0.00 0.00 178.83 178.67 1r63 h LEU 34 N 0.68 0.18 -1.35 1.46 5.85 -0.08 0.06 115.31 122.11 1r63 h LEU 34 Ca 0.41 -0.95 0.08 0.00 0.84 0.00 0.00 57.88 58.26 1r63 h LEU 34 Cb 0.63 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1r63 h LEU 34 CO -0.17 1.20 0.50 -0.33 -0.34 0.00 0.00 178.44 179.30 1r63 h GLU 35 N -0.75 0.75 0.00 1.25 5.08 -0.49 0.23 114.58 120.65 1r63 h GLU 35 Ca -0.09 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1r63 h GLU 35 Cb 1.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1r63 h GLU 35 CO 0.04 0.49 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.39 1r63 h ASN 36 N 0.77 0.00 -3.43 1.42 2.35 -0.24 -3.42 115.58 113.02 1r63 h ASN 36 Ca 0.34 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.86 1r63 h ASN 36 Cb 0.33 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.76 1r63 h ASN 36 CO -0.12 0.24 -0.38 0.61 -1.65 0.00 0.00 177.43 176.13 1r63 n GLY 37 N -0.05 0.05 0.10 2.83 0.00 0.82 -4.93 105.19 104.00 1r63 n GLY 37 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.29 0.00 -7.25 1.61 1.57 -1.29 -3.46 116.57 106.47 1r63 h LYS 38 Ca -0.32 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.97 1r63 h LYS 38 Cb 1.21 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.59 1r63 h LYS 38 CO 0.33 0.48 0.28 0.99 -0.57 0.00 0.00 179.45 180.95 1r63 s THR 39 N -2.85 3.81 -0.15 -0.16 2.01 -1.24 -5.03 115.64 112.03 1r63 s THR 39 Ca -0.01 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 1r63 s THR 39 Cb 0.08 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 1r63 s THR 39 CO 0.80 -0.62 -0.26 0.29 -0.69 0.00 0.00 174.62 174.13 1r63 n LYS 40 N -2.72 0.41 -3.42 4.92 4.76 -1.26 -4.98 118.16 115.87 1r63 n LYS 40 Ca 0.05 0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 55.38 1r63 n LYS 40 Cb 0.57 -1.21 -0.11 0.00 -1.84 0.00 0.00 35.03 32.44 1r63 n LYS 40 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1r63 s ARG 41 N -2.55 0.75 0.98 1.97 3.00 -1.26 -4.97 118.95 116.88 1r63 s ARG 41 Ca -0.25 -1.78 -0.12 0.00 -1.00 0.00 0.00 55.73 52.59 1r63 s ARG 41 Cb 0.06 -1.36 0.18 0.00 0.00 0.00 0.00 34.95 33.83 1r63 s ARG 41 CO 0.34 -1.31 1.08 -1.25 0.00 0.00 0.00 175.30 174.16 1r63 s PRO 42 N 0.49 0.54 0.07 5.12 0.04 -1.26 -4.96 135.00 135.04 1r63 s PRO 42 Ca 0.27 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 1r63 s PRO 42 Cb -0.07 -1.72 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 1r63 s PRO 42 CO -0.11 -2.75 1.64 -0.09 0.04 0.00 0.00 177.00 175.74 1r63 h ARG 43 N -1.92 -0.13 -1.27 4.56 2.43 -2.05 -3.28 114.38 112.72 1r63 h ARG 43 Ca -0.53 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1r63 h ARG 43 Cb 1.30 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1r63 h ARG 43 CO 0.52 -0.02 0.00 1.97 -1.51 0.00 0.00 179.97 180.93 1r63 n PHE 44 N -5.12 0.00 0.36 2.20 1.16 -1.26 -4.35 117.46 110.45 1r63 n PHE 44 Ca -0.08 -0.44 -0.18 0.00 -1.87 0.00 0.00 57.45 54.88 1r63 n PHE 44 Cb 0.11 -0.24 -0.09 0.00 -1.61 0.00 0.00 39.48 37.65 1r63 n PHE 44 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1r63 h LEU 45 N 1.38 -1.16 -1.28 5.98 3.38 -1.96 0.88 115.31 122.53 1r63 h LEU 45 Ca 0.00 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1r63 h LEU 45 Cb 0.80 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1r63 h LEU 45 CO 0.00 -0.67 0.54 1.55 0.09 0.00 0.00 178.44 179.95 1r63 h PRO 46 N -1.04 0.79 0.16 1.13 0.13 -1.92 0.16 132.00 131.40 1r63 h PRO 46 Ca -0.08 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1r63 h PRO 46 Cb 0.86 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1r63 h PRO 46 CO 0.04 0.52 -0.08 0.93 -0.23 0.00 0.00 178.00 179.19 1r63 h GLU 47 N 0.81 -0.21 -0.51 0.86 5.08 -1.84 0.23 114.58 119.01 1r63 h GLU 47 Ca 0.38 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1r63 h GLU 47 Cb 0.38 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1r63 h GLU 47 CO -0.15 0.23 0.24 1.25 -1.00 0.00 0.00 179.01 179.58 1r63 h LEU 48 N -0.81 0.67 -0.65 1.33 6.46 -0.71 0.93 115.31 122.53 1r63 h LEU 48 Ca -0.02 -0.13 0.08 0.00 -0.12 0.00 0.00 57.88 57.69 1r63 h LEU 48 Cb 0.53 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1r63 h LEU 48 CO 0.04 0.62 0.30 0.00 -0.62 0.00 0.00 178.44 178.78 1r63 h ALA 49 N 1.08 0.87 -0.06 1.25 0.00 -0.69 0.82 119.26 122.53 1r63 h ALA 49 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1r63 h ALA 49 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r63 h ALA 49 CO -0.02 -0.09 0.04 1.03 0.00 0.00 0.00 179.25 180.21 1r63 h SER 50 N 0.54 0.07 -0.38 0.00 0.87 0.39 0.36 113.55 115.40 1r63 h SER 50 Ca 0.32 -0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.98 1r63 h SER 50 Cb 0.33 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1r63 h SER 50 CO -0.26 0.05 0.27 0.00 -0.53 0.00 0.00 176.83 176.36 1r63 h ALA 51 N 1.02 2.35 0.00 6.23 0.00 0.01 0.68 119.26 129.55 1r63 h ALA 51 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r63 h ALA 51 Cb -0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r63 h ALA 51 CO -0.00 -0.46 -0.58 1.28 0.00 0.00 0.00 179.25 179.49 1r63 n LEU 52 N -4.43 0.63 -0.41 0.00 4.77 0.20 -4.98 117.00 112.78 1r63 n LEU 52 Ca 0.06 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1r63 n LEU 52 Cb 0.45 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1r63 n LEU 52 CO 0.36 -0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 1r63 n GLY 53 N 1.38 0.26 3.61 -0.72 0.00 1.00 -4.94 105.19 105.79 1r63 n GLY 53 Ca 0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.18 0.91 0.50 1.61 -7.23 0.28 -4.99 120.40 109.30 1r63 s VAL 54 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1r63 s VAL 54 Cb 0.00 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1r63 s VAL 54 CO 0.00 0.00 0.74 -0.94 -0.31 0.00 0.00 175.10 174.59 1r63 s SER 55 N -3.71 5.66 0.07 4.85 1.04 -1.26 -3.60 113.70 116.74 1r63 s SER 55 Ca 0.18 0.30 -0.28 0.00 0.48 0.00 0.00 55.95 56.63 1r63 s SER 55 Cb 0.03 -1.42 -0.17 0.00 0.10 0.00 0.00 66.02 64.55 1r63 s SER 55 CO 0.10 -0.87 1.61 0.58 0.98 0.00 0.00 173.24 175.64 1r63 h VAL 56 N 0.21 0.64 -0.11 5.02 2.07 -1.91 -3.18 116.25 119.00 1r63 h VAL 56 Ca -0.45 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1r63 h VAL 56 Cb 1.26 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1r63 h VAL 56 CO 0.57 0.02 -0.16 -2.24 0.02 0.00 0.00 177.57 175.78 1r63 h ASP 57 N -0.56 -0.50 -1.00 0.57 3.04 -1.97 0.76 116.42 116.76 1r63 h ASP 57 Ca -0.05 0.09 0.25 0.00 -3.24 0.00 0.00 57.03 54.08 1r63 h ASP 57 Cb 0.42 0.23 -0.08 0.00 -1.04 0.00 0.00 39.33 38.87 1r63 h ASP 57 CO 0.08 -0.21 0.66 -0.25 -2.04 0.00 0.00 179.24 177.48 1r63 h TRP 58 N -0.21 0.52 0.08 4.15 7.01 -1.94 -0.78 115.95 124.77 1r63 h TRP 58 Ca 0.09 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1r63 h TRP 58 Cb 0.34 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1r63 h TRP 58 CO -0.27 0.08 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.36 1r63 h LEU 59 N 0.34 -0.09 -0.45 0.65 3.38 -1.27 -3.23 115.31 114.63 1r63 h LEU 59 Ca 0.54 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.59 1r63 h LEU 59 Cb 1.47 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 42.15 1r63 h LEU 59 CO -0.21 0.08 -0.39 0.25 0.09 0.00 0.00 178.44 178.27 1r63 h LEU 60 N -0.41 -1.30 0.00 1.67 5.85 0.36 -3.32 115.31 118.16 1r63 h LEU 60 Ca -0.01 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1r63 h LEU 60 Cb 0.08 0.59 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1r63 h LEU 60 CO 0.02 -0.34 -0.46 -0.46 -0.34 0.00 0.00 178.44 176.86 1r63 n ASN 61 N -5.42 1.12 -0.07 1.25 0.23 -0.62 -5.03 115.26 106.71 1r63 n ASN 61 Ca 0.01 0.18 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 1r63 n ASN 61 Cb 0.35 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 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 2.11 -0.33 3.04 4.83 0.00 -0.42 -4.98 105.19 109.42 1r63 n GLY 62 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95