#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 1.46 -0.16 0.44 -0.00 -1.26 -4.49 119.36 115.34 1r63 n ILE 2 Ca 0.00 -0.77 -0.02 0.00 -0.00 0.00 0.00 62.75 61.97 1r63 n ILE 2 Cb 0.00 -0.84 0.07 0.00 -0.00 0.00 0.00 39.64 38.87 1r63 n ILE 2 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1r63 h SER 3 N 0.00 -0.06 -0.24 4.38 0.87 -1.81 -1.43 113.55 115.28 1r63 h SER 3 Ca -0.52 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1r63 h SER 3 Cb 2.12 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 64.20 1r63 h SER 3 CO 0.01 -0.00 -0.16 0.77 -0.53 0.00 0.00 176.83 176.91 1r63 h SER 4 N 0.21 -0.58 0.16 6.23 4.64 -1.90 0.11 113.55 122.41 1r63 h SER 4 Ca 0.26 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1r63 h SER 4 Cb 0.37 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1r63 h SER 4 CO -0.36 -0.08 -0.08 0.03 -0.87 0.00 0.00 176.83 175.47 1r63 h ARG 5 N -0.03 -0.21 0.14 4.77 -0.00 -1.73 -0.81 114.38 116.51 1r63 h ARG 5 Ca 0.04 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.54 1r63 h ARG 5 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.12 1r63 h ARG 5 CO -0.24 0.00 -0.22 0.28 0.00 0.00 0.00 179.97 179.79 1r63 h VAL 6 N -0.39 0.51 -0.29 2.04 2.07 -1.12 0.83 116.25 119.90 1r63 h VAL 6 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1r63 h VAL 6 Cb 0.30 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1r63 h VAL 6 CO 0.04 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.02 1r63 h LYS 7 N -0.43 0.58 -0.79 1.57 3.11 -0.75 0.51 116.57 120.38 1r63 h LYS 7 Ca 0.02 -0.24 0.06 0.00 -2.81 0.00 0.00 60.65 57.68 1r63 h LYS 7 Cb 0.44 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.58 1r63 h LYS 7 CO -0.10 0.80 0.48 0.66 -2.81 0.00 0.00 179.45 178.47 1r63 h SER 8 N 0.33 0.75 -0.65 4.20 4.64 -1.04 -1.81 113.55 119.97 1r63 h SER 8 Ca 0.07 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1r63 h SER 8 Cb 0.60 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1r63 h SER 8 CO 0.03 0.49 0.18 0.11 -0.87 0.00 0.00 176.83 176.77 1r63 h LYS 9 N 0.88 1.04 -0.40 4.77 1.79 -0.24 0.12 116.57 124.52 1r63 h LYS 9 Ca 0.34 -0.24 0.08 0.00 -2.18 0.00 0.00 60.65 58.65 1r63 h LYS 9 Cb 0.16 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 1r63 h LYS 9 CO -0.17 0.92 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.96 1r63 h ARG 10 N 0.96 0.02 -0.17 3.15 2.43 -0.18 0.93 114.38 121.53 1r63 h ARG 10 Ca 0.21 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1r63 h ARG 10 Cb 0.34 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1r63 h ARG 10 CO -0.00 0.02 0.09 0.82 -1.51 0.00 0.00 179.97 179.38 1r63 h ILE 11 N 0.02 1.10 -0.27 1.20 2.04 -0.65 0.18 117.51 121.14 1r63 h ILE 11 Ca 0.20 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1r63 h ILE 11 Cb 0.30 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1r63 h ILE 11 CO -0.40 0.10 -0.07 1.56 0.00 0.00 0.00 178.15 179.34 1r63 h GLN 12 N 0.17 -0.01 0.00 2.37 4.20 -0.36 -0.97 115.11 120.51 1r63 h GLN 12 Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1r63 h GLN 12 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1r63 h GLN 12 CO -0.01 -0.01 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.90 1r63 h LEU 13 N -0.01 0.00 -1.68 1.46 -0.00 -0.56 -3.47 115.31 111.05 1r63 h LEU 13 Ca 0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.76 1r63 h LEU 13 Cb 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 40.99 1r63 h LEU 13 CO -0.28 0.17 -0.57 0.61 -0.00 0.00 0.00 178.44 178.37 1r63 n GLY 14 N -0.97 -0.16 3.42 0.83 0.00 0.59 -5.04 105.19 103.87 1r63 n GLY 14 Ca -0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.30 2.53 0.73 0.99 1.43 -1.13 -5.06 118.68 112.86 1r63 s LEU 15 Ca 0.03 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 1r63 s LEU 15 Cb -0.01 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1r63 s LEU 15 CO 0.55 -0.26 1.10 0.20 0.23 0.00 0.00 176.35 178.16 1r63 s ASN 16 N -3.43 5.05 0.39 2.29 0.01 -1.26 -4.66 114.94 113.33 1r63 s ASN 16 Ca 0.28 0.88 0.14 0.00 -0.71 0.00 0.00 52.86 53.45 1r63 s ASN 16 Cb 0.02 -1.57 0.97 0.00 0.41 0.00 0.00 41.25 41.07 1r63 s ASN 16 CO 0.11 -1.54 1.87 1.56 -1.51 0.00 0.00 177.10 177.59 1r63 h GLN 17 N -0.74 0.51 0.51 -0.60 4.20 -1.98 0.13 115.11 117.15 1r63 h GLN 17 Ca -0.45 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1r63 h GLN 17 Cb 1.29 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1r63 h GLN 17 CO 0.64 0.34 -0.24 0.00 -0.67 0.00 0.00 178.83 178.89 1r63 h ALA 18 N 1.62 -0.68 -0.39 3.87 0.00 -1.93 0.37 119.26 122.12 1r63 h ALA 18 Ca 0.45 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1r63 h ALA 18 Cb 0.94 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1r63 h ALA 18 CO -0.19 -0.75 -0.24 0.93 0.00 0.00 0.00 179.25 179.00 1r63 h GLU 19 N -0.95 -0.17 -0.35 0.00 4.39 -1.89 -1.30 114.58 114.31 1r63 h GLU 19 Ca -0.07 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1r63 h GLU 19 Cb 0.61 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1r63 h GLU 19 CO 0.11 -0.11 -0.36 1.25 -1.16 0.00 0.00 179.01 178.74 1r63 h LEU 20 N -0.18 -1.19 -0.35 1.33 6.46 -0.93 -0.92 115.31 119.53 1r63 h LEU 20 Ca 0.19 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 58.21 1r63 h LEU 20 Cb 0.47 0.53 -0.09 0.00 -0.73 0.00 0.00 40.66 40.85 1r63 h LEU 20 CO -0.49 -0.35 -0.29 0.00 -0.62 0.00 0.00 178.44 176.70 1r63 h ALA 21 N 0.57 -0.13 -0.15 1.25 0.00 0.09 0.04 119.26 120.93 1r63 h ALA 21 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1r63 h ALA 21 Cb 0.56 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1r63 h ALA 21 CO -0.52 -0.69 -0.17 -0.56 0.00 0.00 0.00 179.25 177.32 1r63 h GLN 22 N -0.24 0.25 -0.54 0.00 3.07 -0.56 0.32 115.11 117.41 1r63 h GLN 22 Ca 0.17 -0.06 -0.11 0.00 0.09 0.00 0.00 58.65 58.73 1r63 h GLN 22 Cb 0.51 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 1r63 h GLN 22 CO -0.49 0.42 -0.10 0.87 0.09 0.00 0.00 178.83 179.62 1r63 h LYS 23 N 0.23 1.01 -0.90 0.06 1.57 0.13 -0.47 116.57 118.20 1r63 h LYS 23 Ca 0.04 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1r63 h LYS 23 Cb 0.44 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1r63 h LYS 23 CO 0.03 1.04 0.59 0.28 -0.57 0.00 0.00 179.45 180.83 1r63 h VAL 24 N 0.90 1.21 0.00 0.50 2.07 -0.33 -3.43 116.25 117.17 1r63 h VAL 24 Ca 0.14 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1r63 h VAL 24 Cb 0.66 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1r63 h VAL 24 CO 0.05 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1r63 n GLY 25 N -1.40 1.62 0.00 2.17 0.00 0.88 -4.81 105.19 103.65 1r63 n GLY 25 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.59 0.00 -4.11 2.61 5.66 0.19 -4.96 114.28 112.08 1r63 n THR 26 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1r63 n THR 26 Cb 0.07 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.79 4.40 0.50 1.09 -4.23 -1.26 -3.58 115.64 111.77 1r63 s THR 27 Ca 0.00 -1.23 0.19 0.00 -1.18 0.00 0.00 61.69 59.48 1r63 s THR 27 Cb 0.00 -3.29 0.34 0.00 1.34 0.00 0.00 72.50 70.89 1r63 s THR 27 CO 0.00 -0.19 2.03 -0.61 -0.54 0.00 0.00 174.62 175.31 1r63 h GLN 28 N 2.12 0.13 -0.16 3.99 -0.00 -1.87 -0.79 115.11 118.53 1r63 h GLN 28 Ca -0.48 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.20 1r63 h GLN 28 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.63 1r63 h GLN 28 CO 0.62 0.09 -0.06 0.37 0.00 0.00 0.00 178.83 179.85 1r63 h GLN 29 N 0.13 -0.03 -0.64 1.69 4.15 -1.95 0.24 115.11 118.70 1r63 h GLN 29 Ca 0.19 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.74 1r63 h GLN 29 Cb 0.60 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.20 1r63 h GLN 29 CO -0.02 -0.02 0.16 0.77 -1.93 0.00 0.00 178.83 177.78 1r63 h SER 30 N -0.03 0.04 -0.36 -0.69 0.02 -1.55 -0.61 113.55 110.38 1r63 h SER 30 Ca 0.08 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1r63 h SER 30 Cb 0.16 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1r63 h SER 30 CO -0.18 0.02 -0.23 0.40 -1.14 0.00 0.00 176.83 175.70 1r63 h ILE 31 N 0.29 1.27 0.05 3.27 1.08 -1.15 -0.85 117.51 121.47 1r63 h ILE 31 Ca 0.34 -1.36 0.02 0.00 -0.39 0.00 0.00 64.86 63.47 1r63 h ILE 31 Cb 0.52 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 1r63 h ILE 31 CO -0.42 0.46 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.25 1r63 h GLU 32 N 0.74 -0.30 -0.94 2.37 4.22 0.54 0.23 114.58 121.44 1r63 h GLU 32 Ca 0.10 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.61 1r63 h GLU 32 Cb 0.77 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 1r63 h GLU 32 CO 0.06 -0.20 0.61 1.96 -2.18 0.00 0.00 179.01 179.27 1r63 h GLN 33 N -0.31 1.10 0.59 1.92 7.50 -0.98 0.21 115.11 125.14 1r63 h GLN 33 Ca 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.09 1r63 h GLN 33 Cb 0.35 -0.25 0.01 0.00 0.05 0.00 0.00 27.48 27.64 1r63 h GLN 33 CO -0.13 0.73 -0.28 1.25 -1.50 0.00 0.00 178.83 178.90 1r63 h LEU 34 N 1.13 -0.67 -1.97 1.46 5.85 -0.59 -2.47 115.31 118.06 1r63 h LEU 34 Ca 0.39 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 1r63 h LEU 34 Cb 0.10 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1r63 h LEU 34 CO -0.14 -0.38 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.41 1r63 h GLU 35 N -0.98 0.00 0.00 1.25 4.81 -0.32 0.17 114.58 119.52 1r63 h GLU 35 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1r63 h GLU 35 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1r63 h GLU 35 CO 0.13 0.10 0.13 -0.91 -0.73 0.00 0.00 179.01 177.73 1r63 h ASN 36 N 0.00 0.00 -0.20 1.04 -0.26 -0.69 -3.42 115.58 112.05 1r63 h ASN 36 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1r63 h ASN 36 Cb 0.20 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 1r63 h ASN 36 CO 0.01 0.00 -0.08 0.61 -1.06 0.00 0.00 177.43 176.91 1r63 n GLY 37 N -1.15 0.66 0.21 2.83 0.00 0.60 -4.90 105.19 103.44 1r63 n GLY 37 Ca -0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 0.30 0.73 -6.81 1.61 1.79 -1.63 -3.44 116.57 109.11 1r63 h LYS 38 Ca -0.09 -0.68 -0.48 0.00 -2.18 0.00 0.00 60.65 57.22 1r63 h LYS 38 Cb 0.49 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1r63 h LYS 38 CO 0.13 1.27 0.19 0.99 -1.08 0.00 0.00 179.45 180.95 1r63 s THR 39 N -3.54 4.54 -0.05 -0.16 2.01 -0.95 -4.99 115.64 112.51 1r63 s THR 39 Ca -0.10 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 1r63 s THR 39 Cb 0.07 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1r63 s THR 39 CO 0.91 -0.14 -0.14 1.17 -0.69 0.00 0.00 174.62 175.73 1r63 n LYS 40 N -0.21 0.21 -3.94 4.92 0.00 -1.26 -4.82 118.16 113.06 1r63 n LYS 40 Ca 0.04 0.09 -0.32 0.00 0.00 0.00 0.00 58.31 58.11 1r63 n LYS 40 Cb 0.53 -0.87 -0.14 0.00 0.00 0.00 0.00 35.03 34.55 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 -2.30 1.74 0.59 1.64 3.52 -1.26 -4.99 118.95 117.90 1r63 s ARG 41 Ca -0.13 -2.07 -0.18 0.00 -0.13 0.00 0.00 55.73 53.23 1r63 s ARG 41 Cb 0.03 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1r63 s ARG 41 CO 0.18 -1.01 1.14 -1.25 -0.81 0.00 0.00 175.30 173.54 1r63 s PRO 42 N 0.63 3.08 0.15 5.12 0.04 -1.26 -4.94 135.00 137.82 1r63 s PRO 42 Ca 0.12 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 1r63 s PRO 42 Cb -0.21 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1r63 s PRO 42 CO -0.05 -1.07 1.61 -0.09 0.04 0.00 0.00 177.00 177.44 1r63 h ARG 43 N 0.73 -0.28 -1.79 4.56 9.65 -2.02 -3.20 114.38 122.02 1r63 h ARG 43 Ca -0.49 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.27 1r63 h ARG 43 Cb 1.26 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.85 1r63 h ARG 43 CO 0.55 -0.19 0.18 1.97 2.80 0.00 0.00 179.97 185.29 1r63 n PHE 44 N -5.40 0.67 0.22 2.20 1.16 -1.26 -4.62 117.46 110.44 1r63 n PHE 44 Ca -0.01 -1.43 -0.15 0.00 -1.87 0.00 0.00 57.45 54.00 1r63 n PHE 44 Cb 0.32 -0.71 -0.08 0.00 -1.61 0.00 0.00 39.48 37.40 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 2.81 -0.44 -0.99 5.98 5.85 -1.96 0.10 115.31 126.67 1r63 h LEU 45 Ca 0.13 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1r63 h LEU 45 Cb 0.96 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1r63 h LEU 45 CO 0.33 -0.27 0.27 1.55 -0.34 0.00 0.00 178.44 179.99 1r63 h PRO 46 N -0.58 1.00 -0.61 5.25 0.13 -1.92 0.06 132.00 135.33 1r63 h PRO 46 Ca -0.05 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1r63 h PRO 46 Cb 0.43 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1r63 h PRO 46 CO 0.09 0.82 0.18 0.93 -0.23 0.00 0.00 178.00 179.78 1r63 h GLU 47 N 0.98 0.96 -0.62 0.86 3.07 -1.86 -0.37 114.58 117.61 1r63 h GLU 47 Ca 0.23 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1r63 h GLU 47 Cb 0.19 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.92 1r63 h GLU 47 CO -0.02 0.86 0.35 1.25 -1.40 0.00 0.00 179.01 180.05 1r63 h LEU 48 N 0.88 0.53 -0.18 1.33 5.85 -0.53 0.61 115.31 123.80 1r63 h LEU 48 Ca 0.20 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1r63 h LEU 48 Cb 0.31 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1r63 h LEU 48 CO -0.00 0.36 -0.25 0.00 -0.34 0.00 0.00 178.44 178.20 1r63 h ALA 49 N 1.31 -0.19 -0.53 1.25 0.00 0.11 -0.42 119.26 120.78 1r63 h ALA 49 Ca 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1r63 h ALA 49 Cb 0.13 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r63 h ALA 49 CO -0.15 -0.70 0.25 0.77 0.00 0.00 0.00 179.25 179.42 1r63 h SER 50 N -0.29 0.69 0.04 0.00 0.02 -0.76 0.20 113.55 113.46 1r63 h SER 50 Ca 0.12 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1r63 h SER 50 Cb 0.46 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1r63 h SER 50 CO -0.35 0.64 -0.11 0.00 -1.14 0.00 0.00 176.83 175.87 1r63 h ALA 51 N 1.09 -0.15 0.00 3.77 0.00 -0.39 -2.78 119.26 120.79 1r63 h ALA 51 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r63 h ALA 51 Cb 0.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1r63 h ALA 51 CO -0.02 -0.61 -0.13 -0.07 0.00 0.00 0.00 179.25 178.42 1r63 h LEU 52 N -0.20 0.00 -2.07 0.00 3.38 -1.00 -3.48 115.31 111.94 1r63 h LEU 52 Ca 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1r63 h LEU 52 Cb 0.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.00 1r63 h LEU 52 CO -0.08 0.01 -0.10 0.61 0.09 0.00 0.00 178.44 178.97 1r63 n GLY 53 N 1.25 0.37 1.40 0.83 0.00 0.56 -5.00 105.19 104.59 1r63 n GLY 53 Ca 0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.45 0.00 -3.59 1.61 0.24 -0.27 -5.03 118.33 109.84 1r63 n VAL 54 Ca -0.04 -0.96 -0.25 0.00 -2.04 0.00 0.00 64.34 61.05 1r63 n VAL 54 Cb 0.52 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.98 6.34 0.22 -1.34 1.04 -1.26 -4.25 113.70 112.48 1r63 s SER 55 Ca 0.16 0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.82 1r63 s SER 55 Cb 0.00 -2.00 0.25 0.00 0.10 0.00 0.00 66.02 64.38 1r63 s SER 55 CO 0.11 -0.16 1.58 0.58 0.98 0.00 0.00 173.24 176.33 1r63 h VAL 56 N 1.14 0.12 -0.13 5.02 2.07 -1.90 -1.49 116.25 121.10 1r63 h VAL 56 Ca -0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1r63 h VAL 56 Cb 1.21 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1r63 h VAL 56 CO 0.64 0.00 0.07 0.44 0.02 0.00 0.00 177.57 178.74 1r63 h ASP 57 N -0.05 0.16 -0.62 0.57 5.19 -1.96 0.13 116.42 119.83 1r63 h ASP 57 Ca 0.33 -0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1r63 h ASP 57 Cb 0.59 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 1r63 h ASP 57 CO -0.84 0.19 0.38 -0.25 -3.12 0.00 0.00 179.24 175.61 1r63 h TRP 58 N 0.11 0.72 -0.81 4.55 7.01 -1.86 0.41 115.95 126.08 1r63 h TRP 58 Ca 0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1r63 h TRP 58 Cb 0.07 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 1r63 h TRP 58 CO -0.04 0.42 0.45 -0.07 -2.79 0.00 0.00 178.44 176.40 1r63 h LEU 59 N 0.76 1.00 0.00 0.65 3.38 -0.84 -1.41 115.31 118.85 1r63 h LEU 59 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1r63 h LEU 59 Cb 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1r63 h LEU 59 CO -0.10 0.81 0.00 -0.11 0.09 0.00 0.00 178.44 179.13 1r63 n LEU 60 N -4.41 1.68 0.07 1.67 0.00 0.41 -4.62 117.00 111.79 1r63 n LEU 60 Ca 0.08 0.17 -0.18 0.00 0.00 0.00 0.00 56.01 56.08 1r63 n LEU 60 Cb 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.37 1r63 n LEU 60 CO 0.38 0.00 -0.34 -0.55 0.00 0.00 0.00 177.39 176.88 1r63 h ASN 61 N 0.00 0.46 -2.46 1.96 7.08 -0.36 -3.50 115.58 118.76 1r63 h ASN 61 Ca 0.00 -0.62 0.00 0.00 -3.08 0.00 0.00 56.30 52.60 1r63 h ASN 61 Cb 0.00 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.09 1r63 h ASN 61 CO 0.00 1.51 0.00 0.61 -2.08 0.00 0.00 177.43 177.47 1r63 n GLY 62 N 1.69 -2.37 0.38 9.14 0.00 -0.53 -4.99 105.19 108.51 1r63 n GLY 62 Ca -0.17 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1r63 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02