#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 1.51 -0.13 -1.33 3.06 -1.26 -4.49 119.36 116.71 1r63 n ILE 2 Ca 0.00 -0.07 -0.07 0.00 -2.50 0.00 0.00 62.75 60.11 1r63 n ILE 2 Cb 0.00 -2.14 0.02 0.00 0.54 0.00 0.00 39.64 38.05 1r63 n ILE 2 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1r63 h SER 3 N -1.00 0.39 -0.66 9.51 4.64 -1.85 -2.56 113.55 122.03 1r63 h SER 3 Ca -0.31 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.11 1r63 h SER 3 Cb 1.22 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 1r63 h SER 3 CO -0.19 0.28 -0.46 0.77 -0.87 0.00 0.00 176.83 176.36 1r63 h SER 4 N 0.50 -1.61 0.63 4.97 4.64 -1.86 -0.12 113.55 120.70 1r63 h SER 4 Ca 0.17 0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.73 1r63 h SER 4 Cb 0.02 0.73 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1r63 h SER 4 CO -0.08 -0.32 -0.39 0.03 -0.87 0.00 0.00 176.83 175.19 1r63 h ARG 5 N -0.19 -0.93 -0.67 4.77 3.08 -1.68 -0.52 114.38 118.24 1r63 h ARG 5 Ca 0.18 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1r63 h ARG 5 Cb 0.55 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1r63 h ARG 5 CO -0.74 -0.62 0.40 0.28 -1.07 0.00 0.00 179.97 178.22 1r63 h VAL 6 N -0.96 1.04 -0.34 2.04 2.07 -1.45 -0.42 116.25 118.23 1r63 h VAL 6 Ca -0.08 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1r63 h VAL 6 Cb 0.78 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1r63 h VAL 6 CO 0.08 0.14 0.16 0.50 0.02 0.00 0.00 177.57 178.48 1r63 h LYS 7 N 0.77 0.33 -0.57 1.57 3.64 -0.74 0.47 116.57 122.05 1r63 h LYS 7 Ca 0.28 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1r63 h LYS 7 Cb 0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1r63 h LYS 7 CO -0.13 0.22 -0.05 0.77 -2.27 0.00 0.00 179.45 177.98 1r63 h SER 8 N 0.34 1.03 -0.28 4.20 0.02 -0.48 -2.57 113.55 115.80 1r63 h SER 8 Ca 0.15 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1r63 h SER 8 Cb 0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1r63 h SER 8 CO -0.11 1.11 0.12 0.11 -1.14 0.00 0.00 176.83 176.92 1r63 h LYS 9 N 0.92 0.48 -0.95 3.45 1.57 -0.70 -0.67 116.57 120.68 1r63 h LYS 9 Ca 0.15 -0.06 0.25 0.00 -1.87 0.00 0.00 60.65 59.12 1r63 h LYS 9 Cb 0.62 -0.09 -0.17 0.00 0.08 0.00 0.00 32.23 32.66 1r63 h LYS 9 CO 0.04 0.42 0.01 -0.09 -0.57 0.00 0.00 179.45 179.26 1r63 h ARG 10 N 0.48 0.03 -0.10 3.15 9.65 -0.48 -0.65 114.38 126.46 1r63 h ARG 10 Ca 0.12 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.84 1r63 h ARG 10 Cb 0.13 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1r63 h ARG 10 CO -0.01 0.02 -0.60 0.82 2.80 0.00 0.00 179.97 183.00 1r63 h ILE 11 N 0.03 1.37 -0.36 1.20 1.08 -1.15 0.22 117.51 119.90 1r63 h ILE 11 Ca 0.56 -1.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.14 1r63 h ILE 11 Cb 1.10 1.95 -0.05 0.00 -3.07 0.00 0.00 36.82 36.75 1r63 h ILE 11 CO -0.88 0.58 0.07 1.56 -0.69 0.00 0.00 178.15 178.79 1r63 h GLN 12 N 0.26 0.18 -0.36 2.37 7.50 -1.04 -0.61 115.11 123.41 1r63 h GLN 12 Ca -0.00 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 1r63 h GLN 12 Cb 1.12 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.59 1r63 h GLN 12 CO 0.10 0.12 -0.01 -0.07 -1.50 0.00 0.00 178.83 177.47 1r63 h LEU 13 N 0.19 0.53 2.40 1.46 4.07 -1.11 -3.46 115.31 119.39 1r63 h LEU 13 Ca 0.17 -0.11 -0.36 0.00 0.08 0.00 0.00 57.88 57.66 1r63 h LEU 13 Cb 0.20 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1r63 h LEU 13 CO -0.23 0.61 -0.45 0.61 -1.08 0.00 0.00 178.44 177.91 1r63 n GLY 14 N -0.81 -0.16 3.15 0.83 0.00 0.75 -4.98 105.19 103.97 1r63 n GLY 14 Ca 0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.08 2.11 0.00 0.99 1.43 -1.22 -5.03 118.68 111.89 1r63 s LEU 15 Ca 0.00 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1r63 s LEU 15 Cb 0.00 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.89 1r63 s LEU 15 CO 0.00 0.05 0.54 -0.46 0.23 0.00 0.00 176.35 176.71 1r63 n ASN 16 N 4.25 -0.76 -0.31 2.29 0.23 -1.26 -4.57 115.26 115.14 1r63 n ASN 16 Ca -0.20 -0.99 0.09 0.00 -0.53 0.00 0.00 54.58 52.94 1r63 n ASN 16 Cb 0.51 -0.45 0.25 0.00 -2.08 0.00 0.00 39.78 38.01 1r63 n ASN 16 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1r63 h GLN 17 N 0.00 0.59 0.44 -3.83 4.20 -1.98 -0.69 115.11 113.84 1r63 h GLN 17 Ca -0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1r63 h GLN 17 Cb 0.54 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1r63 h GLN 17 CO 0.13 0.39 -0.21 0.00 -0.67 0.00 0.00 178.83 178.47 1r63 h ALA 18 N 1.60 -1.13 -0.98 3.87 0.00 -1.94 0.11 119.26 120.79 1r63 h ALA 18 Ca 0.50 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.46 1r63 h ALA 18 Cb 0.76 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1r63 h ALA 18 CO -0.39 -1.09 0.61 0.93 0.00 0.00 0.00 179.25 179.32 1r63 h GLU 19 N -0.61 0.68 0.57 0.00 3.07 -1.87 -1.14 114.58 115.28 1r63 h GLU 19 Ca -0.06 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1r63 h GLU 19 Cb 0.45 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1r63 h GLU 19 CO 0.10 0.45 -0.27 1.25 -1.40 0.00 0.00 179.01 179.14 1r63 h LEU 20 N 0.70 -0.64 -0.88 1.33 5.85 -0.96 -3.11 115.31 117.59 1r63 h LEU 20 Ca 0.55 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.48 1r63 h LEU 20 Cb 0.93 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 1r63 h LEU 20 CO -0.32 -0.45 0.39 0.00 -0.34 0.00 0.00 178.44 177.72 1r63 h ALA 21 N -0.34 1.38 -0.38 1.25 0.00 0.45 0.14 119.26 121.76 1r63 h ALA 21 Ca -0.08 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1r63 h ALA 21 Cb 0.59 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1r63 h ALA 21 CO 0.13 -0.29 -0.23 1.96 0.00 0.00 0.00 179.25 180.82 1r63 h GLN 22 N 0.44 -0.16 -0.32 0.00 1.08 -1.32 0.27 115.11 115.11 1r63 h GLN 22 Ca 0.53 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1r63 h GLN 22 Cb 0.96 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1r63 h GLN 22 CO -0.49 -0.11 -0.37 0.87 -0.95 0.00 0.00 178.83 177.78 1r63 h LYS 23 N -0.17 0.73 -0.64 1.46 1.57 -0.75 -1.04 116.57 117.74 1r63 h LYS 23 Ca 0.19 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1r63 h LYS 23 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1r63 h LYS 23 CO -0.48 0.98 0.42 0.28 -0.57 0.00 0.00 179.45 180.08 1r63 h VAL 24 N 0.61 1.08 0.00 0.50 2.07 -0.69 -3.47 116.25 116.35 1r63 h VAL 24 Ca 0.06 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1r63 h VAL 24 Cb 0.90 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1r63 h VAL 24 CO 0.08 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1r63 n GLY 25 N -1.45 1.01 0.00 2.17 0.00 0.74 -4.97 105.19 102.69 1r63 n GLY 25 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.58 0.00 -4.33 2.61 5.66 0.08 -4.95 114.28 111.76 1r63 n THR 26 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1r63 n THR 26 Cb 0.00 -0.02 -0.11 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.98 2.84 0.30 1.09 -4.23 -1.26 -3.86 115.64 111.50 1r63 s THR 27 Ca 0.00 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1r63 s THR 27 Cb 0.00 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.77 1r63 s THR 27 CO 0.00 -0.05 1.85 -0.61 -0.54 0.00 0.00 174.62 175.28 1r63 h GLN 28 N 3.25 0.92 -0.69 3.99 -0.00 -1.88 -1.63 115.11 119.07 1r63 h GLN 28 Ca -0.48 -0.06 0.05 0.00 -0.00 0.00 0.00 58.65 58.17 1r63 h GLN 28 Cb 1.19 -0.21 -0.05 0.00 0.00 0.00 0.00 27.48 28.41 1r63 h GLN 28 CO 0.50 0.61 0.39 0.37 0.00 0.00 0.00 178.83 180.70 1r63 h GLN 29 N 0.94 0.71 -0.04 1.69 5.75 -1.96 0.10 115.11 122.31 1r63 h GLN 29 Ca 0.48 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1r63 h GLN 29 Cb 0.50 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 1r63 h GLN 29 CO -0.24 0.47 0.01 1.03 -2.65 0.00 0.00 178.83 177.45 1r63 h SER 30 N 0.73 0.06 -0.18 -0.69 0.87 -1.73 -2.23 113.55 110.38 1r63 h SER 30 Ca 0.30 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1r63 h SER 30 Cb 0.16 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1r63 h SER 30 CO -0.17 0.25 -0.17 0.40 -0.53 0.00 0.00 176.83 176.61 1r63 h ILE 31 N -0.13 0.54 -0.23 2.23 1.08 -1.07 -0.31 117.51 119.62 1r63 h ILE 31 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 1r63 h ILE 31 Cb 0.21 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 1r63 h ILE 31 CO -0.00 0.00 -0.40 -0.08 -0.69 0.00 0.00 178.15 176.98 1r63 h GLU 32 N -0.19 -0.40 -0.74 2.37 4.57 -0.92 0.13 114.58 119.40 1r63 h GLU 32 Ca 0.12 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.39 1r63 h GLU 32 Cb 0.36 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1r63 h GLU 32 CO -0.30 -0.27 0.49 1.96 -1.18 0.00 0.00 179.01 179.71 1r63 h GLN 33 N -0.42 0.75 0.45 1.92 4.20 -0.93 0.67 115.11 121.75 1r63 h GLN 33 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1r63 h GLN 33 Cb 0.60 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1r63 h GLN 33 CO -0.45 0.50 -0.21 1.25 -0.67 0.00 0.00 178.83 179.24 1r63 h LEU 34 N 0.77 -0.51 -0.75 1.46 5.85 0.56 -1.73 115.31 120.97 1r63 h LEU 34 Ca 0.32 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.19 1r63 h LEU 34 Cb 0.27 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.29 1r63 h LEU 34 CO -0.11 -0.32 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.02 1r63 h GLU 35 N -0.68 -0.08 0.00 1.25 3.07 -0.85 -0.20 114.58 117.10 1r63 h GLU 35 Ca -0.06 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1r63 h GLU 35 Cb 0.46 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1r63 h GLU 35 CO 0.10 -0.05 0.07 0.09 -1.40 0.00 0.00 179.01 177.82 1r63 n ASN 36 N -5.47 0.00 -0.66 1.42 3.02 0.21 -2.61 115.26 111.17 1r63 n ASN 36 Ca 0.08 0.39 -0.03 0.00 -0.03 0.00 0.00 54.58 54.98 1r63 n ASN 36 Cb 0.38 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1r63 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r63 n GLY 37 N -1.38 0.52 0.19 7.41 0.00 -0.09 -4.90 105.19 106.95 1r63 n GLY 37 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.45 1r63 n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r63 h LYS 38 N -0.21 0.00 -6.18 1.61 3.64 -1.42 -3.46 116.57 110.55 1r63 h LYS 38 Ca -0.07 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 1r63 h LYS 38 Cb 1.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1r63 h LYS 38 CO 0.08 0.28 -0.29 0.99 -2.27 0.00 0.00 179.45 178.24 1r63 s THR 39 N -3.23 2.17 0.00 1.00 2.01 -1.26 -5.06 115.64 111.27 1r63 s THR 39 Ca 0.04 -1.32 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 1r63 s THR 39 Cb 0.08 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1r63 s THR 39 CO 0.69 0.00 -0.01 0.29 -0.69 0.00 0.00 174.62 174.89 1r63 n LYS 40 N -1.78 0.02 -3.50 4.92 4.76 -1.26 -4.94 118.16 116.37 1r63 n LYS 40 Ca 0.04 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 1r63 n LYS 40 Cb 0.63 -0.24 -0.04 0.00 -1.84 0.00 0.00 35.03 33.54 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1r63 n ARG 41 N -2.68 3.00 -2.03 1.97 0.63 -1.26 -5.03 116.66 111.26 1r63 n ARG 41 Ca -0.01 -4.50 -0.41 0.00 -0.92 0.00 0.00 57.85 52.02 1r63 n ARG 41 Cb 0.02 -2.44 -0.02 0.00 0.45 0.00 0.00 32.46 30.47 1r63 n ARG 41 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1r63 s PRO 42 N -1.57 4.28 0.20 -0.14 0.04 -1.26 -4.90 135.00 131.66 1r63 s PRO 42 Ca 0.29 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.45 1r63 s PRO 42 Cb -0.05 -3.07 0.18 0.00 0.04 0.00 0.00 34.50 31.59 1r63 s PRO 42 CO -0.09 -0.34 1.58 -0.09 0.04 0.00 0.00 177.00 178.10 1r63 h ARG 43 N 4.02 -0.10 -0.84 4.56 9.65 -2.05 -1.75 114.38 127.88 1r63 h ARG 43 Ca -0.48 0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.22 1r63 h ARG 43 Cb 1.22 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.72 1r63 h ARG 43 CO 0.70 -0.07 0.24 1.97 2.80 0.00 0.00 179.97 185.61 1r63 n PHE 44 N -5.45 1.93 -0.28 2.20 -1.74 -1.26 -4.60 117.46 108.26 1r63 n PHE 44 Ca 0.06 -1.01 -0.07 0.00 -0.56 0.00 0.00 57.45 55.87 1r63 n PHE 44 Cb 0.37 -0.59 -0.03 0.00 1.52 0.00 0.00 39.48 40.76 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 2.05 -1.59 -1.90 5.98 5.85 -1.69 0.13 115.31 124.13 1r63 h LEU 45 Ca 0.23 0.27 0.01 0.00 0.84 0.00 0.00 57.88 59.23 1r63 h LEU 45 Cb 2.00 0.74 -0.01 0.00 0.37 0.00 0.00 40.66 43.77 1r63 h LEU 45 CO 0.59 -0.31 0.08 1.55 -0.34 0.00 0.00 178.44 180.01 1r63 h PRO 46 N -0.14 0.13 -0.08 5.25 0.13 -1.87 -0.13 132.00 135.30 1r63 h PRO 46 Ca 0.21 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 1r63 h PRO 46 Cb 0.55 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1r63 h PRO 46 CO -0.80 0.09 -0.52 0.93 -0.23 0.00 0.00 178.00 177.47 1r63 h GLU 47 N 0.13 0.49 -0.59 0.86 5.08 -1.20 0.17 114.58 119.52 1r63 h GLU 47 Ca 0.05 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1r63 h GLU 47 Cb 0.02 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1r63 h GLU 47 CO -0.01 1.06 0.35 1.25 -1.00 0.00 0.00 179.01 180.66 1r63 h LEU 48 N 0.06 0.57 -0.18 1.33 7.12 -0.66 0.14 115.31 123.69 1r63 h LEU 48 Ca -0.04 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.02 1r63 h LEU 48 Cb 1.18 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 41.15 1r63 h LEU 48 CO 0.11 0.40 -0.13 0.00 -0.13 0.00 0.00 178.44 178.68 1r63 h ALA 49 N 1.26 0.00 -0.56 1.25 0.00 -0.77 -0.30 119.26 120.14 1r63 h ALA 49 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1r63 h ALA 49 Cb 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1r63 h ALA 49 CO -0.11 -0.57 0.37 0.66 0.00 0.00 0.00 179.25 179.60 1r63 h SER 50 N -0.14 0.62 0.53 0.00 4.64 -0.31 0.28 113.55 119.17 1r63 h SER 50 Ca 0.11 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1r63 h SER 50 Cb 0.30 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1r63 h SER 50 CO -0.27 0.45 -0.25 0.00 -0.87 0.00 0.00 176.83 175.89 1r63 h ALA 51 N 1.22 -0.71 -0.49 5.18 0.00 0.25 -1.84 119.26 122.86 1r63 h ALA 51 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1r63 h ALA 51 Cb -0.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1r63 h ALA 51 CO -0.06 -0.89 -0.10 1.25 0.00 0.00 0.00 179.25 179.46 1r63 h LEU 52 N -0.73 0.89 -1.95 0.00 7.12 -1.14 -3.48 115.31 116.02 1r63 h LEU 52 Ca -0.07 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1r63 h LEU 52 Cb 0.55 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1r63 h LEU 52 CO 0.12 1.00 0.00 0.61 -0.13 0.00 0.00 178.44 180.04 1r63 n GLY 53 N -0.38 0.86 3.34 3.75 0.00 0.77 -4.97 105.19 108.57 1r63 n GLY 53 Ca 0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.65 0.57 0.73 1.61 -7.23 0.05 -5.02 120.40 108.46 1r63 s VAL 54 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1r63 s VAL 54 Cb 0.00 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1r63 s VAL 54 CO 0.00 0.00 1.07 -0.94 -0.31 0.00 0.00 175.10 174.92 1r63 s SER 55 N -3.35 5.06 0.05 4.85 1.04 -1.26 -4.27 113.70 115.81 1r63 s SER 55 Ca 0.37 1.52 -0.24 0.00 0.48 0.00 0.00 55.95 58.08 1r63 s SER 55 Cb 0.07 -2.35 -0.16 0.00 0.10 0.00 0.00 66.02 63.68 1r63 s SER 55 CO 0.15 -1.64 1.55 0.58 0.98 0.00 0.00 173.24 174.86 1r63 h VAL 56 N -0.85 1.16 -0.77 5.02 2.07 -1.93 -3.12 116.25 117.82 1r63 h VAL 56 Ca -0.45 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1r63 h VAL 56 Cb 1.23 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1r63 h VAL 56 CO 0.57 0.13 0.49 -2.24 0.02 0.00 0.00 177.57 176.54 1r63 h ASP 57 N -0.17 0.80 0.09 0.57 2.03 -1.98 0.85 116.42 118.61 1r63 h ASP 57 Ca 0.01 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.28 1r63 h ASP 57 Cb 0.20 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1r63 h ASP 57 CO -0.00 0.54 -0.11 -0.25 -1.03 0.00 0.00 179.24 178.39 1r63 h TRP 58 N 0.94 0.04 0.12 4.15 7.01 -1.93 -0.95 115.95 125.33 1r63 h TRP 58 Ca 0.31 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 1r63 h TRP 58 Cb 0.04 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1r63 h TRP 58 CO -0.03 0.15 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.64 1r63 h LEU 59 N 0.04 -0.14 -0.61 0.65 3.38 -1.11 -2.45 115.31 115.07 1r63 h LEU 59 Ca 0.01 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1r63 h LEU 59 Cb 0.22 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1r63 h LEU 59 CO 0.01 0.44 -0.45 0.25 0.09 0.00 0.00 178.44 178.79 1r63 h LEU 60 N -0.99 -1.55 0.00 1.67 6.46 -0.47 -3.34 115.31 117.09 1r63 h LEU 60 Ca -0.02 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1r63 h LEU 60 Cb 0.40 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1r63 h LEU 60 CO 0.03 -0.33 -0.05 -3.20 -0.62 0.00 0.00 178.44 174.27 1r63 n ASN 61 N -5.40 0.12 0.00 1.25 5.15 -0.40 -5.09 115.26 110.89 1r63 n ASN 61 Ca 0.02 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1r63 n ASN 61 Cb 0.35 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1r63 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r63 n GLY 62 N 2.11 1.66 0.00 8.20 0.00 -0.92 -4.87 105.19 111.37 1r63 n GLY 62 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95