#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pra h ILE 2 N 0.00 0.00 -0.68 0.44 6.09 -1.96 -2.64 117.51 118.76 1pra h ILE 2 Ca 0.00 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.54 1pra h ILE 2 Cb 0.00 0.00 -0.04 0.00 0.47 0.00 0.00 36.82 37.25 1pra h ILE 2 CO 0.00 0.00 0.45 -1.28 -3.07 0.00 0.00 178.15 174.25 1pra h SER 3 N -0.49 0.67 -0.70 2.19 0.87 -1.88 0.31 113.55 114.51 1pra h SER 3 Ca 0.00 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1pra h SER 3 Cb 0.51 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1pra h SER 3 CO -0.22 0.45 0.34 -1.28 -0.53 0.00 0.00 176.83 175.59 1pra h SER 4 N 0.77 0.44 0.52 6.23 0.87 -1.87 0.26 113.55 120.77 1pra h SER 4 Ca 0.28 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1pra h SER 4 Cb 0.15 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1pra h SER 4 CO -0.08 0.25 -0.25 0.03 -0.53 0.00 0.00 176.83 176.25 1pra h ARG 5 N 0.58 -0.68 0.38 2.24 3.08 -0.59 0.23 114.38 119.62 1pra h ARG 5 Ca 0.35 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 1pra h ARG 5 Cb 0.37 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1pra h ARG 5 CO -0.27 -0.41 -0.40 0.28 -1.07 0.00 0.00 179.97 178.09 1pra h VAL 6 N -0.79 0.19 0.21 2.04 2.07 -1.09 0.37 116.25 119.26 1pra h VAL 6 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1pra h VAL 6 Cb 0.57 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1pra h VAL 6 CO 0.12 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 178.09 1pra h LYS 7 N -0.80 -0.29 -0.53 1.57 3.11 -0.50 0.73 116.57 119.86 1pra h LYS 7 Ca -0.03 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1pra h LYS 7 Cb 0.73 0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 31.94 1pra h LYS 7 CO -0.08 -0.19 0.01 1.03 -2.81 0.00 0.00 179.45 177.41 1pra h SER 8 N -0.30 -0.20 -0.79 4.20 0.87 -0.48 0.10 113.55 116.95 1pra h SER 8 Ca -0.02 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1pra h SER 8 Cb 0.24 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1pra h SER 8 CO 0.03 -0.07 0.37 0.50 -0.53 0.00 0.00 176.83 177.13 1pra h LYS 9 N 0.13 1.15 -0.40 2.24 1.63 -0.48 -0.13 116.57 120.70 1pra h LYS 9 Ca 0.27 -0.18 0.07 0.00 -0.85 0.00 0.00 60.65 59.96 1pra h LYS 9 Cb 0.41 -0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 31.77 1pra h LYS 9 CO -0.43 0.90 0.03 -0.09 -3.45 0.00 0.00 179.45 176.41 1pra h ARG 10 N 1.13 0.14 0.17 1.90 2.43 0.91 0.18 114.38 121.24 1pra h ARG 10 Ca 0.27 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1pra h ARG 10 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1pra h ARG 10 CO -0.03 0.09 -0.08 0.82 -1.51 0.00 0.00 179.97 179.26 1pra h ILE 11 N 0.15 0.83 -0.90 1.20 1.08 -0.22 -0.23 117.51 119.41 1pra h ILE 11 Ca 0.20 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 1pra h ILE 11 Cb 0.27 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 34.78 1pra h ILE 11 CO -0.30 0.00 0.55 1.56 -0.69 0.00 0.00 178.15 179.28 1pra h GLN 12 N -0.23 0.93 0.00 2.37 1.08 -0.59 0.23 115.11 118.90 1pra h GLN 12 Ca -0.02 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1pra h GLN 12 Cb 0.18 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1pra h GLN 12 CO 0.04 0.62 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.46 1pra h LEU 13 N 0.96 0.00 1.15 1.46 -0.00 -0.24 -3.46 115.31 115.18 1pra h LEU 13 Ca 0.42 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.13 1pra h LEU 13 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1pra h LEU 13 CO -0.21 0.01 -0.22 0.61 -0.00 0.00 0.00 178.44 178.62 1pra n GLY 14 N -0.63 0.03 3.56 0.83 0.00 0.81 -5.04 105.19 104.75 1pra n GLY 14 Ca -0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1pra n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pra s LEU 15 N -2.47 2.79 0.44 0.99 1.43 -0.57 -5.02 118.68 116.28 1pra s LEU 15 Ca 0.01 -1.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.08 1pra s LEU 15 Cb -0.00 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1pra s LEU 15 CO 0.01 -0.17 0.26 0.54 0.23 0.00 0.00 176.35 177.22 1pra s ASN 16 N -3.62 4.60 0.28 2.29 2.20 -1.26 -4.22 114.94 115.20 1pra s ASN 16 Ca 0.33 -1.06 -0.02 0.00 -0.94 0.00 0.00 52.86 51.17 1pra s ASN 16 Cb 0.00 -0.29 0.42 0.00 -2.00 0.00 0.00 41.25 39.39 1pra s ASN 16 CO 0.17 -0.69 1.92 1.56 -2.94 0.00 0.00 177.10 177.13 1pra h GLN 17 N 1.20 1.13 0.02 3.55 4.20 -1.98 0.27 115.11 123.50 1pra h GLN 17 Ca -0.41 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 1pra h GLN 17 Cb 1.27 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1pra h GLN 17 CO 0.65 0.75 -0.01 0.00 -0.67 0.00 0.00 178.83 179.55 1pra h ALA 18 N 1.46 -0.02 -0.29 3.87 0.00 -1.96 0.16 119.26 122.47 1pra h ALA 18 Ca 0.37 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1pra h ALA 18 Cb 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1pra h ALA 18 CO -0.12 -0.32 -0.08 0.93 0.00 0.00 0.00 179.25 179.67 1pra h GLU 19 N -0.41 -0.01 -0.26 0.00 5.08 -1.92 0.12 114.58 117.18 1pra h GLU 19 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1pra h GLU 19 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1pra h GLU 19 CO 0.00 -0.01 -0.06 1.25 -1.00 0.00 0.00 179.01 179.19 1pra h LEU 20 N -0.01 -0.24 -0.61 1.33 5.85 -0.85 0.11 115.31 120.90 1pra h LEU 20 Ca 0.14 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.06 1pra h LEU 20 Cb 0.22 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1pra h LEU 20 CO -0.30 -0.08 0.04 0.00 -0.34 0.00 0.00 178.44 177.76 1pra h ALA 21 N 1.26 0.64 -0.43 1.25 0.00 0.23 0.25 119.26 122.47 1pra h ALA 21 Ca 0.13 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1pra h ALA 21 Cb 0.19 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pra h ALA 21 CO -0.27 -0.37 0.12 1.96 0.00 0.00 0.00 179.25 180.69 1pra h GLN 22 N 0.16 0.67 -0.66 0.00 4.20 -0.23 0.40 115.11 119.64 1pra h GLN 22 Ca 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1pra h GLN 22 Cb 0.51 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1pra h GLN 22 CO -0.48 0.67 0.35 0.87 -0.67 0.00 0.00 178.83 179.57 1pra h LYS 23 N 0.55 0.92 -0.23 1.46 1.79 0.24 -1.65 116.57 119.65 1pra h LYS 23 Ca 0.14 -0.10 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 1pra h LYS 23 Cb 0.29 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1pra h LYS 23 CO -0.00 0.68 -0.54 0.28 -1.08 0.00 0.00 179.45 178.80 1pra h VAL 24 N 0.93 1.30 -0.52 0.50 2.07 -0.34 -3.46 116.25 116.74 1pra h VAL 24 Ca 0.23 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1pra h VAL 24 Cb 0.04 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1pra h VAL 24 CO -0.04 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1pra n GLY 25 N 0.28 0.91 0.00 2.17 0.00 0.11 -4.89 105.19 103.77 1pra n GLY 25 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1pra n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pra n THR 26 N -1.03 0.00 -4.38 2.61 5.66 0.26 -5.01 114.28 112.39 1pra n THR 26 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1pra n THR 26 Cb 0.23 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.90 1pra n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1pra s THR 27 N -0.94 3.62 0.30 1.09 -4.23 -1.26 -4.03 115.64 110.19 1pra s THR 27 Ca 0.00 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.67 1pra s THR 27 Cb 0.00 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1pra s THR 27 CO 0.00 0.31 1.72 -0.61 -0.54 0.00 0.00 174.62 175.50 1pra h GLN 28 N 4.23 0.52 -0.72 3.99 4.15 -1.87 0.91 115.11 126.32 1pra h GLN 28 Ca -0.48 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.04 1pra h GLN 28 Cb 1.17 -0.12 -0.10 0.00 0.21 0.00 0.00 27.48 28.64 1pra h GLN 28 CO 0.54 0.34 0.25 0.37 -1.93 0.00 0.00 178.83 178.40 1pra h GLN 29 N 0.54 0.37 -0.58 1.69 -0.00 -1.95 0.17 115.11 115.35 1pra h GLN 29 Ca 0.60 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.22 1pra h GLN 29 Cb 1.10 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.47 1pra h GLN 29 CO -0.48 0.24 0.33 0.77 0.00 0.00 0.00 178.83 179.69 1pra h SER 30 N 0.38 0.72 -0.09 -0.69 0.02 -1.23 0.31 113.55 112.97 1pra h SER 30 Ca 0.40 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1pra h SER 30 Cb 0.61 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1pra h SER 30 CO -0.42 0.60 0.03 0.40 -1.14 0.00 0.00 176.83 176.30 1pra h ILE 31 N 0.79 1.16 -0.61 3.27 1.08 -0.90 -0.90 117.51 121.39 1pra h ILE 31 Ca 0.21 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1pra h ILE 31 Cb 0.03 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1pra h ILE 31 CO -0.03 0.14 0.38 -0.08 -0.69 0.00 0.00 178.15 177.86 1pra h GLU 32 N -0.03 0.73 -0.40 2.37 4.81 -0.52 0.18 114.58 121.71 1pra h GLU 32 Ca 0.03 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1pra h GLU 32 Cb 0.19 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 1pra h GLU 32 CO -0.00 0.48 -0.01 0.37 -0.73 0.00 0.00 179.01 179.12 1pra h GLN 33 N 0.75 0.09 -0.25 1.92 4.15 -0.79 0.10 115.11 121.08 1pra h GLN 33 Ca 0.24 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1pra h GLN 33 Cb 0.01 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1pra h GLN 33 CO -0.10 0.06 0.14 1.25 -1.93 0.00 0.00 178.83 178.25 1pra h LEU 34 N 0.09 0.32 -0.34 -2.39 5.85 0.03 -0.66 115.31 118.21 1pra h LEU 34 Ca 0.20 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1pra h LEU 34 Cb 0.29 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1pra h LEU 34 CO -0.34 0.33 0.00 -0.33 -0.34 0.00 0.00 178.44 177.76 1pra h GLU 35 N 0.29 0.10 0.00 1.25 3.07 -0.14 0.16 114.58 119.32 1pra h GLU 35 Ca 0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1pra h GLU 35 Cb 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1pra h GLU 35 CO -0.01 0.06 0.00 0.27 -1.40 0.00 0.00 179.01 177.93 1pra n ASN 36 N -5.17 0.00 -0.84 1.42 0.23 0.31 -4.57 115.26 106.64 1pra n ASN 36 Ca 0.01 0.31 -0.04 0.00 -0.53 0.00 0.00 54.58 54.33 1pra n ASN 36 Cb 0.17 -0.42 0.01 0.00 -2.08 0.00 0.00 39.78 37.47 1pra n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pra n GLY 37 N 0.42 0.52 1.49 4.83 0.00 0.57 -4.96 105.19 108.06 1pra n GLY 37 Ca 0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1pra n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pra n LYS 38 N -1.34 2.25 -4.13 1.61 4.76 -0.35 -4.87 118.16 116.09 1pra n LYS 38 Ca -0.01 -1.64 -0.09 0.00 -2.87 0.00 0.00 58.31 53.70 1pra n LYS 38 Cb 0.52 -1.74 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 1pra n LYS 38 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1pra s THR 39 N -1.83 0.12 -0.26 -0.18 -1.32 -1.26 -4.97 115.64 105.93 1pra s THR 39 Ca 0.30 -1.86 -0.09 0.00 -1.21 0.00 0.00 61.69 58.82 1pra s THR 39 Cb 0.24 -1.95 -0.15 0.00 -1.51 0.00 0.00 72.50 69.13 1pra s THR 39 CO 0.07 -0.54 -0.25 0.29 -2.21 0.00 0.00 174.62 171.98 1pra n LYS 40 N -0.07 0.61 -3.67 7.08 5.02 -1.26 -4.94 118.16 120.93 1pra n LYS 40 Ca -0.07 0.25 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 1pra n LYS 40 Cb 0.63 -1.53 -0.18 0.00 -0.02 0.00 0.00 35.03 33.94 1pra n LYS 40 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1pra s ARG 41 N -2.50 0.04 0.18 1.97 6.06 -1.26 -5.14 118.95 118.30 1pra s ARG 41 Ca -0.36 0.25 -0.30 0.00 -2.50 0.00 0.00 55.73 52.81 1pra s ARG 41 Cb 0.12 -0.84 -0.08 0.00 0.06 0.00 0.00 34.95 34.22 1pra s ARG 41 CO 0.54 -0.39 1.16 -1.25 -2.50 0.00 0.00 175.30 172.86 1pra s PRO 42 N 2.13 4.52 0.26 5.12 0.04 -1.26 -4.93 135.00 140.89 1pra s PRO 42 Ca 0.04 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 1pra s PRO 42 Cb -0.13 -3.26 0.45 0.00 0.04 0.00 0.00 34.50 31.61 1pra s PRO 42 CO -0.04 -0.04 1.85 0.07 0.04 0.00 0.00 177.00 178.87 1pra h ARG 43 N 5.23 0.98 -1.36 4.56 0.11 -2.03 -2.79 114.38 119.09 1pra h ARG 43 Ca -0.44 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 59.44 1pra h ARG 43 Cb 1.21 -0.22 -0.07 0.00 1.11 0.00 0.00 29.97 32.00 1pra h ARG 43 CO 0.74 0.65 0.18 1.97 0.10 0.00 0.00 179.97 183.61 1pra n PHE 44 N -4.61 0.75 0.08 4.08 1.16 -1.26 -4.50 117.46 113.16 1pra n PHE 44 Ca 0.16 -1.13 -0.15 0.00 -1.87 0.00 0.00 57.45 54.46 1pra n PHE 44 Cb 0.27 -0.56 -0.08 0.00 -1.61 0.00 0.00 39.48 37.49 1pra n PHE 44 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1pra h LEU 45 N 1.83 -1.40 -0.59 5.98 3.38 -1.90 0.17 115.31 122.78 1pra h LEU 45 Ca 0.15 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1pra h LEU 45 Cb 1.22 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1pra h LEU 45 CO 0.32 -0.50 0.10 1.55 0.09 0.00 0.00 178.44 180.00 1pra h PRO 46 N -0.65 0.97 -0.69 1.13 0.13 -1.90 -0.51 132.00 130.49 1pra h PRO 46 Ca 0.03 -0.26 0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1pra h PRO 46 Cb 0.70 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1pra h PRO 46 CO -0.31 0.92 0.44 0.93 -0.23 0.00 0.00 178.00 179.75 1pra h GLU 47 N 0.88 0.84 0.08 0.86 5.08 -1.86 0.18 114.58 120.65 1pra h GLU 47 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pra h GLU 47 Cb 0.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pra h GLU 47 CO 0.01 0.56 -0.04 1.25 -1.00 0.00 0.00 179.01 179.79 1pra h LEU 48 N 0.87 -0.10 -0.55 1.33 7.12 -0.38 0.66 115.31 124.26 1pra h LEU 48 Ca 0.27 -0.23 0.10 0.00 0.13 0.00 0.00 57.88 58.15 1pra h LEU 48 Cb -0.01 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.06 1pra h LEU 48 CO -0.09 0.18 0.12 0.00 -0.13 0.00 0.00 178.44 178.51 1pra h ALA 49 N 0.52 0.64 -0.19 1.25 0.00 -0.75 -0.70 119.26 120.02 1pra h ALA 49 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pra h ALA 49 Cb 0.32 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pra h ALA 49 CO 0.02 -0.30 -0.05 0.66 0.00 0.00 0.00 179.25 179.58 1pra h SER 50 N 0.25 0.37 -0.60 0.00 4.64 -0.62 0.41 113.55 118.01 1pra h SER 50 Ca 0.28 -0.37 0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1pra h SER 50 Cb 0.40 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 1pra h SER 50 CO -0.36 0.65 0.07 0.00 -0.87 0.00 0.00 176.83 176.32 1pra h ALA 51 N 0.73 0.66 0.04 5.18 0.00 -0.01 -1.22 119.26 124.64 1pra h ALA 51 Ca 0.05 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.88 1pra h ALA 51 Cb 0.49 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1pra h ALA 51 CO 0.02 -0.35 -1.11 -0.07 0.00 0.00 0.00 179.25 177.74 1pra h LEU 52 N 0.19 0.14 -1.94 0.00 -0.00 -1.17 -3.49 115.31 109.04 1pra h LEU 52 Ca 0.32 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1pra h LEU 52 Cb 0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1pra h LEU 52 CO -0.46 1.12 0.00 0.61 -0.00 0.00 0.00 178.44 179.72 1pra n GLY 53 N 1.42 0.47 3.51 0.83 0.00 0.12 -5.08 105.19 106.46 1pra n GLY 53 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 1pra n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pra s VAL 54 N -2.89 0.77 0.20 1.61 -7.23 0.03 -5.01 120.40 107.88 1pra s VAL 54 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 1pra s VAL 54 Cb 0.00 -2.45 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 1pra s VAL 54 CO 0.00 0.00 0.61 -0.94 -0.31 0.00 0.00 175.10 174.46 1pra s SER 55 N -3.58 6.82 0.26 4.85 1.04 -1.26 -4.34 113.70 117.48 1pra s SER 55 Ca 0.26 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 1pra s SER 55 Cb 0.04 -2.31 0.49 0.00 0.10 0.00 0.00 66.02 64.34 1pra s SER 55 CO 0.14 0.01 1.77 0.58 0.98 0.00 0.00 173.24 176.73 1pra h VAL 56 N 2.50 0.78 -0.93 5.02 2.07 -1.92 0.61 116.25 124.38 1pra h VAL 56 Ca -0.48 -0.23 0.19 0.00 0.82 0.00 0.00 66.70 67.00 1pra h VAL 56 Cb 1.19 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.90 1pra h VAL 56 CO 0.66 0.12 0.51 -0.78 0.02 0.00 0.00 177.57 178.10 1pra h ASP 57 N 0.66 0.59 0.22 0.57 1.82 -1.99 0.16 116.42 118.46 1pra h ASP 57 Ca 0.44 0.11 -0.24 0.00 -0.39 0.00 0.00 57.03 56.95 1pra h ASP 57 Cb 0.57 0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.61 1pra h ASP 57 CO -0.33 0.18 -0.99 -0.25 -1.61 0.00 0.00 179.24 176.24 1pra h TRP 58 N 0.62 0.77 -0.89 0.28 7.01 -1.36 0.13 115.95 122.51 1pra h TRP 58 Ca 0.54 -0.42 0.10 0.00 2.11 0.00 0.00 58.89 61.22 1pra h TRP 58 Cb 0.89 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.79 1pra h TRP 58 CO -0.06 1.25 0.54 -0.07 -2.79 0.00 0.00 178.44 177.31 1pra h LEU 59 N 0.29 0.79 0.23 0.65 3.38 0.64 0.55 115.31 121.84 1pra h LEU 59 Ca -0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1pra h LEU 59 Cb 1.63 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1pra h LEU 59 CO 0.18 0.45 -0.11 -0.07 0.09 0.00 0.00 178.44 178.98 1pra h LEU 60 N 0.90 -0.26 0.00 1.67 3.38 -0.60 -3.41 115.31 116.99 1pra h LEU 60 Ca 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1pra h LEU 60 Cb 0.36 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pra h LEU 60 CO -0.24 0.25 -0.02 0.78 0.09 0.00 0.00 178.44 179.30 1pra h ASN 61 N -0.98 0.00 -3.32 -0.43 2.35 -0.77 -3.50 115.58 108.93 1pra h ASN 61 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pra h ASN 61 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1pra h ASN 61 CO 0.05 0.27 -0.01 0.61 -1.65 0.00 0.00 177.43 176.71 1pra n GLY 62 N 1.87 -0.36 2.66 2.83 0.00 0.19 -5.01 105.19 107.37 1pra n GLY 62 Ca -0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1pra n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pra s THR 63 N -3.00 -0.14 -0.40 2.61 -4.23 -1.26 -5.06 115.64 104.15 1pra s THR 63 Ca 0.00 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1pra s THR 63 Cb -0.00 -0.47 0.16 0.00 1.34 0.00 0.00 72.50 73.54 1pra s THR 63 CO 0.10 -0.13 0.33 -0.44 -0.54 0.00 0.00 174.62 173.94 1pra s SER 64 N 2.18 1.57 0.39 3.99 0.01 -1.26 -5.03 113.70 115.55 1pra s SER 64 Ca 0.03 -2.80 0.00 0.00 1.31 0.00 0.00 55.95 54.49 1pra s SER 64 Cb -0.15 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1pra s SER 64 CO -0.08 -0.19 0.00 -0.67 0.41 0.00 0.00 173.24 172.71 1pra n ASP 65 N 3.12 -7.31 -3.41 2.44 2.03 -1.26 -4.99 116.55 107.17 1pra n ASP 65 Ca 0.26 0.81 -0.03 0.00 0.52 0.00 0.00 54.79 56.34 1pra n ASP 65 Cb 0.46 -3.90 -0.05 0.00 -0.72 0.00 0.00 41.12 36.91 1pra n ASP 65 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1pra s SER 66 N -6.80 -0.65 -0.67 1.67 0.01 -1.26 -5.11 113.70 100.89 1pra s SER 66 Ca 0.00 0.87 0.05 0.00 1.31 0.00 0.00 55.95 58.17 1pra s SER 66 Cb 0.00 1.74 0.16 0.00 0.21 0.00 0.00 66.02 68.13 1pra s SER 66 CO 0.00 -0.26 0.44 0.21 0.41 0.00 0.00 173.24 174.05 1pra s ASN 67 N 2.73 4.71 0.29 2.44 3.84 -1.26 -5.02 114.94 122.67 1pra s ASN 67 Ca 0.08 -3.68 0.00 0.00 0.21 0.00 0.00 52.86 49.47 1pra s ASN 67 Cb -0.14 -1.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 1pra s ASN 67 CO -0.17 -0.11 0.00 0.52 -2.79 0.00 0.00 177.10 174.54 1pra n VAL 68 N 2.21 -1.49 -0.50 -5.21 0.31 -1.26 -5.34 118.33 107.06 1pra n VAL 68 Ca 0.17 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 1pra n VAL 68 Cb 0.34 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1pra n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05