#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 0.64 -0.02 0.44 2.10 -1.91 -0.99 117.51 117.77 1pra h ILE 2 Ca 0.00 -0.03 0.01 0.00 1.08 0.00 0.00 64.86 65.92 1pra h ILE 2 Cb 0.00 0.56 -0.02 0.00 -1.09 0.00 0.00 36.82 36.26 1pra h ILE 2 CO 0.00 0.01 -0.22 0.77 -1.08 0.00 0.00 178.15 177.64 1pra h SER 3 N 0.08 -0.68 -0.66 2.19 4.64 -1.06 0.13 113.55 118.19 1pra h SER 3 Ca 0.38 0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.84 1pra h SER 3 Cb 1.38 0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 63.67 1pra h SER 3 CO -0.03 -0.21 0.34 0.28 -0.87 0.00 0.00 176.83 176.34 1pra h SER 4 N -0.26 0.47 0.48 4.97 0.02 -1.59 -0.19 113.55 117.46 1pra h SER 4 Ca 0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1pra h SER 4 Cb 0.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1pra h SER 4 CO -0.15 0.29 -0.41 0.03 -1.14 0.00 0.00 176.83 175.45 1pra h ARG 5 N 0.61 -0.85 -0.06 3.45 3.08 -0.85 0.31 114.38 120.08 1pra h ARG 5 Ca 0.31 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.45 1pra h ARG 5 Cb 0.26 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1pra h ARG 5 CO -0.22 -0.57 -0.34 0.28 -1.07 0.00 0.00 179.97 178.05 1pra h VAL 6 N -0.88 0.26 -0.59 2.04 2.07 -0.44 -1.54 116.25 117.17 1pra h VAL 6 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1pra h VAL 6 Cb 0.76 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1pra h VAL 6 CO -0.02 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.03 1pra h LYS 7 N -0.46 1.06 -0.35 1.57 3.11 -0.95 -1.47 116.57 119.09 1pra h LYS 7 Ca 0.07 -0.35 0.07 0.00 -2.81 0.00 0.00 60.65 57.63 1pra h LYS 7 Cb 0.57 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.65 1pra h LYS 7 CO -0.32 1.05 -0.10 0.77 -2.81 0.00 0.00 179.45 178.04 1pra h SER 8 N 0.96 -0.37 -0.28 4.20 0.02 -0.11 0.09 113.55 118.05 1pra h SER 8 Ca 0.16 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1pra h SER 8 Cb 0.60 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1pra h SER 8 CO 0.04 -0.13 -0.05 0.11 -1.14 0.00 0.00 176.83 175.65 1pra h LYS 9 N -0.02 0.65 -0.54 3.45 1.79 -0.98 -0.97 116.57 119.96 1pra h LYS 9 Ca 0.17 -0.18 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 1pra h LYS 9 Cb 0.28 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 1pra h LYS 9 CO -0.37 0.71 0.17 -0.09 -1.08 0.00 0.00 179.45 178.78 1pra h ARG 10 N 0.61 0.32 -0.01 3.15 9.65 -0.07 0.13 114.38 128.16 1pra h ARG 10 Ca 0.12 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1pra h ARG 10 Cb 0.46 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1pra h ARG 10 CO 0.02 0.21 0.00 0.82 2.80 0.00 0.00 179.97 183.83 1pra h ILE 11 N 0.33 1.24 -0.91 1.20 1.08 -0.47 0.43 117.51 120.41 1pra h ILE 11 Ca 0.27 -0.71 0.14 0.00 -0.39 0.00 0.00 64.86 64.17 1pra h ILE 11 Cb 0.33 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 1pra h ILE 11 CO -0.29 0.19 0.58 1.56 -0.69 0.00 0.00 178.15 179.50 1pra h GLN 12 N -0.27 0.70 -0.00 2.37 1.08 -0.77 -0.25 115.11 117.97 1pra h GLN 12 Ca 0.00 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 1pra h GLN 12 Cb 0.30 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1pra h GLN 12 CO 0.00 0.46 -0.83 -0.07 -0.95 0.00 0.00 178.83 177.45 1pra h LEU 13 N 0.72 0.14 0.00 1.46 -0.00 -0.54 -3.48 115.31 113.62 1pra h LEU 13 Ca 0.46 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1pra h LEU 13 Cb 0.71 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1pra h LEU 13 CO -0.22 0.90 0.00 0.61 -0.00 0.00 0.00 178.44 179.74 1pra n GLY 14 N 0.79 0.50 0.66 0.83 0.00 0.14 -5.07 105.19 103.04 1pra n GLY 14 Ca -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 1pra n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pra n LEU 15 N 0.00 0.00 -4.26 0.99 4.77 -0.45 -5.01 117.00 113.04 1pra n LEU 15 Ca 0.00 -0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 55.34 1pra n LEU 15 Cb 0.43 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1pra n LEU 15 CO 0.00 -0.35 -0.22 0.54 -1.33 0.00 0.00 177.39 176.04 1pra s ASN 16 N -1.57 0.84 0.35 -1.43 2.20 -1.26 -4.56 114.94 109.52 1pra s ASN 16 Ca 0.06 -1.47 0.08 0.00 -0.94 0.00 0.00 52.86 50.59 1pra s ASN 16 Cb -0.00 0.36 0.78 0.00 -2.00 0.00 0.00 41.25 40.39 1pra s ASN 16 CO 0.04 -0.86 1.88 1.56 -2.94 0.00 0.00 177.10 176.78 1pra h GLN 17 N 2.42 0.71 0.13 3.55 4.20 -1.97 0.98 115.11 125.13 1pra h GLN 17 Ca -0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 1pra h GLN 17 Cb 1.25 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1pra h GLN 17 CO 0.52 0.47 -0.06 0.00 -0.67 0.00 0.00 178.83 179.09 1pra h ALA 18 N 1.59 -0.17 -0.86 3.87 0.00 -1.97 0.21 119.26 121.94 1pra h ALA 18 Ca 0.43 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1pra h ALA 18 Cb 0.62 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1pra h ALA 18 CO -0.19 -0.34 0.51 0.93 0.00 0.00 0.00 179.25 180.16 1pra h GLU 19 N -0.68 0.85 -0.30 0.00 5.08 -1.90 -0.60 114.58 117.02 1pra h GLU 19 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1pra h GLU 19 Cb 0.51 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1pra h GLU 19 CO 0.03 0.56 -0.00 1.25 -1.00 0.00 0.00 179.01 179.84 1pra h LEU 20 N 0.87 0.53 -0.19 1.33 7.12 -0.76 -0.53 115.31 123.68 1pra h LEU 20 Ca 0.41 -0.31 0.05 0.00 0.13 0.00 0.00 57.88 58.16 1pra h LEU 20 Cb 0.33 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.24 1pra h LEU 20 CO -0.23 0.71 -0.34 0.00 -0.13 0.00 0.00 178.44 178.45 1pra h ALA 21 N 0.84 -0.38 -0.60 1.25 0.00 0.34 0.20 119.26 120.90 1pra h ALA 21 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1pra h ALA 21 Cb 0.44 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1pra h ALA 21 CO 0.02 -0.81 0.19 -0.56 0.00 0.00 0.00 179.25 178.09 1pra h GLN 22 N -0.38 0.90 -0.74 0.00 3.07 -1.09 0.33 115.11 117.19 1pra h GLN 22 Ca 0.11 -0.17 0.02 0.00 0.09 0.00 0.00 58.65 58.70 1pra h GLN 22 Cb 0.56 -0.14 -0.04 0.00 0.08 0.00 0.00 27.48 27.94 1pra h GLN 22 CO -0.40 0.77 0.48 0.87 0.09 0.00 0.00 178.83 180.63 1pra h LYS 23 N 0.87 0.93 0.00 0.06 1.57 -0.14 -1.81 116.57 118.05 1pra h LYS 23 Ca 0.20 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1pra h LYS 23 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1pra h LYS 23 CO -0.01 0.61 -0.47 0.28 -0.57 0.00 0.00 179.45 179.30 1pra h VAL 24 N 0.95 1.12 -0.61 0.50 2.07 -0.25 -3.48 116.25 116.56 1pra h VAL 24 Ca 0.28 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1pra h VAL 24 Cb -0.05 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1pra h VAL 24 CO -0.08 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1pra n GLY 25 N 0.18 0.93 0.00 2.17 0.00 0.93 -4.96 105.19 104.44 1pra n GLY 25 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.20 0.00 -4.46 2.61 5.66 0.14 -5.00 114.28 111.04 1pra n THR 26 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1pra n THR 26 Cb 0.38 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.03 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 0.46 1.84 0.32 1.09 -4.23 -1.26 -3.90 115.64 109.97 1pra s THR 27 Ca 0.00 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.11 1pra s THR 27 Cb 0.00 -1.64 0.37 0.00 1.34 0.00 0.00 72.50 72.58 1pra s THR 27 CO 0.00 0.08 1.59 -0.61 -0.54 0.00 0.00 174.62 175.14 1pra h GLN 28 N 4.33 0.05 -0.77 3.99 4.15 -1.89 0.28 115.11 125.25 1pra h GLN 28 Ca -0.46 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.12 1pra h GLN 28 Cb 1.17 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.74 1pra h GLN 28 CO 0.41 0.04 0.27 0.37 -1.93 0.00 0.00 178.83 177.98 1pra h GLN 29 N 0.05 0.35 -0.04 1.69 4.15 -1.96 0.21 115.11 119.57 1pra h GLN 29 Ca 0.66 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 60.02 1pra h GLN 29 Cb 1.49 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 1pra h GLN 29 CO -0.82 0.23 -0.17 0.77 -1.93 0.00 0.00 178.83 176.92 1pra h SER 30 N 0.36 0.06 0.02 -0.69 0.02 -0.85 -0.94 113.55 111.54 1pra h SER 30 Ca 0.44 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.33 1pra h SER 30 Cb 0.74 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1pra h SER 30 CO -0.47 0.24 -0.21 0.40 -1.14 0.00 0.00 176.83 175.65 1pra h ILE 31 N 0.07 1.64 -0.39 3.27 1.08 -0.57 -2.59 117.51 120.01 1pra h ILE 31 Ca 0.01 -2.16 0.06 0.00 -0.39 0.00 0.00 64.86 62.39 1pra h ILE 31 Cb 0.34 3.07 -0.09 0.00 -3.07 0.00 0.00 36.82 37.07 1pra h ILE 31 CO 0.02 0.58 -0.47 -0.08 -0.69 0.00 0.00 178.15 177.51 1pra h GLU 32 N -0.70 -0.35 -0.85 2.37 4.81 -0.73 0.24 114.58 119.38 1pra h GLU 32 Ca -0.03 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1pra h GLU 32 Cb 1.06 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 1pra h GLU 32 CO 0.04 -0.23 0.49 -0.56 -0.73 0.00 0.00 179.01 178.02 1pra h GLN 33 N -0.36 0.78 -0.36 1.92 3.07 -1.24 0.23 115.11 119.15 1pra h GLN 33 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 1pra h GLN 33 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1pra h GLN 33 CO -0.57 0.52 0.09 1.25 0.09 0.00 0.00 178.83 180.21 1pra h LEU 34 N 0.81 0.54 0.04 0.06 5.85 -0.86 0.24 115.31 121.99 1pra h LEU 34 Ca 0.41 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1pra h LEU 34 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1pra h LEU 34 CO -0.26 0.63 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.84 1pra h GLU 35 N 0.44 -0.40 -0.21 1.25 5.08 0.60 -1.77 114.58 119.57 1pra h GLU 35 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1pra h GLU 35 Cb 0.29 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1pra h GLU 35 CO 0.00 -0.26 0.00 0.27 -1.00 0.00 0.00 179.01 178.02 1pra n ASN 36 N -4.16 0.22 -3.86 1.42 2.04 -0.05 -0.54 115.26 110.34 1pra n ASN 36 Ca -0.05 -2.00 -0.28 0.00 -0.44 0.00 0.00 54.58 51.81 1pra n ASN 36 Cb 0.23 -0.11 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 1pra n ASN 36 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pra n GLY 37 N 0.40 -0.51 0.07 4.83 0.00 0.23 -4.86 105.19 105.35 1pra n GLY 37 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.36 0.96 -4.19 1.61 4.76 0.59 -4.79 118.16 112.75 1pra n LYS 38 Ca -0.23 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.10 1pra n LYS 38 Cb 0.65 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.67 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 -1.85 0.26 -0.16 -0.18 -1.32 -1.26 -5.04 115.64 106.07 1pra s THR 39 Ca 0.00 -1.94 -0.09 0.00 -1.21 0.00 0.00 61.69 58.45 1pra s THR 39 Cb 0.00 -2.15 -0.23 0.00 -1.51 0.00 0.00 72.50 68.61 1pra s THR 39 CO 0.00 -0.38 0.23 0.29 -2.21 0.00 0.00 174.62 172.54 1pra n LYS 40 N -0.17 0.70 -3.52 7.08 4.01 -1.26 -4.85 118.16 120.15 1pra n LYS 40 Ca -0.04 0.31 -0.21 0.00 -0.51 0.00 0.00 58.31 57.86 1pra n LYS 40 Cb 0.64 -1.68 -0.14 0.00 -0.51 0.00 0.00 35.03 33.34 1pra n LYS 40 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1pra s ARG 41 N -2.51 0.17 0.75 1.97 6.06 -1.26 -5.15 118.95 118.97 1pra s ARG 41 Ca -0.26 0.07 -0.11 0.00 -2.50 0.00 0.00 55.73 52.93 1pra s ARG 41 Cb 0.07 -1.33 0.04 0.00 0.06 0.00 0.00 34.95 33.79 1pra s ARG 41 CO 0.70 -0.70 1.10 -1.25 -2.50 0.00 0.00 175.30 172.65 1pra s PRO 42 N 2.27 2.50 -0.07 5.12 0.04 -1.26 -5.01 135.00 138.60 1pra s PRO 42 Ca 0.06 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1pra s PRO 42 Cb -0.16 -1.98 -0.30 0.00 0.04 0.00 0.00 34.50 32.11 1pra s PRO 42 CO -0.14 -1.30 0.62 0.07 0.04 0.00 0.00 177.00 176.29 1pra h ARG 43 N -0.85 0.35 -0.92 4.56 0.11 -2.02 -3.37 114.38 112.24 1pra h ARG 43 Ca -0.46 -0.60 -0.11 0.00 0.10 0.00 0.00 59.98 58.91 1pra h ARG 43 Cb 1.26 0.22 -0.07 0.00 1.11 0.00 0.00 29.97 32.50 1pra h ARG 43 CO 0.62 1.29 0.14 1.97 0.10 0.00 0.00 179.97 184.09 1pra n PHE 44 N -3.67 1.06 0.04 4.08 1.16 -1.26 -4.37 117.46 114.50 1pra n PHE 44 Ca -0.25 -0.70 -0.10 0.00 -1.87 0.00 0.00 57.45 54.52 1pra n PHE 44 Cb 1.03 -0.41 -0.04 0.00 -1.61 0.00 0.00 39.48 38.45 1pra n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1pra h LEU 45 N 1.28 -0.54 -0.47 5.98 5.85 -1.99 0.13 115.31 125.55 1pra h LEU 45 Ca 0.14 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1pra h LEU 45 Cb 1.46 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1pra h LEU 45 CO 0.33 -0.24 -0.11 1.55 -0.34 0.00 0.00 178.44 179.64 1pra h PRO 46 N -0.27 0.90 -0.27 5.25 0.13 -1.94 0.56 132.00 136.36 1pra h PRO 46 Ca 0.07 -0.34 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1pra h PRO 46 Cb 0.37 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1pra h PRO 46 CO -0.20 0.99 0.05 0.93 -0.23 0.00 0.00 178.00 179.54 1pra h GLU 47 N 0.74 0.15 -0.36 0.86 3.07 -1.83 0.11 114.58 117.33 1pra h GLU 47 Ca 0.12 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1pra h GLU 47 Cb 0.65 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1pra h GLU 47 CO 0.05 0.10 0.01 1.25 -1.40 0.00 0.00 179.01 179.02 1pra h LEU 48 N 0.16 0.61 -0.12 1.33 6.46 -0.53 0.14 115.31 123.35 1pra h LEU 48 Ca 0.12 -0.30 0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1pra h LEU 48 Cb 0.13 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 1pra h LEU 48 CO -0.16 0.76 -0.19 0.00 -0.62 0.00 0.00 178.44 178.23 1pra h ALA 49 N 0.87 -0.13 -0.24 1.25 0.00 -0.62 0.95 119.26 121.34 1pra h ALA 49 Ca 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pra h ALA 49 Cb 0.44 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pra h ALA 49 CO 0.02 -0.64 0.03 0.66 0.00 0.00 0.00 179.25 179.31 1pra h SER 50 N -0.24 0.39 -0.72 0.00 4.64 -0.69 0.40 113.55 117.32 1pra h SER 50 Ca 0.10 -0.28 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1pra h SER 50 Cb 0.38 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 1pra h SER 50 CO -0.26 0.57 0.40 0.00 -0.87 0.00 0.00 176.83 176.67 1pra h ALA 51 N 0.84 0.99 -0.13 5.18 0.00 -0.47 -1.92 119.26 123.75 1pra h ALA 51 Ca 0.07 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1pra h ALA 51 Cb 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pra h ALA 51 CO 0.01 0.05 -0.55 -0.07 0.00 0.00 0.00 179.25 178.69 1pra h LEU 52 N 0.71 0.71 0.00 0.00 -0.00 -0.72 -3.49 115.31 112.52 1pra h LEU 52 Ca 0.34 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1pra h LEU 52 Cb 0.26 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1pra h LEU 52 CO -0.22 1.22 0.00 0.61 -0.00 0.00 0.00 178.44 180.05 1pra n GLY 53 N 0.66 0.83 3.43 0.83 0.00 0.11 -4.85 105.19 106.20 1pra n GLY 53 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.76 0.00 0.22 1.61 -7.23 0.24 -5.01 120.40 108.46 1pra s VAL 54 Ca 0.00 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1pra s VAL 54 Cb 0.00 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1pra s VAL 54 CO 0.00 0.00 0.43 -0.94 -0.31 0.00 0.00 175.10 174.28 1pra s SER 55 N -3.11 6.41 0.22 4.85 1.04 -1.26 -3.76 113.70 118.08 1pra s SER 55 Ca 0.30 0.49 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 1pra s SER 55 Cb 0.02 -2.05 0.34 0.00 0.10 0.00 0.00 66.02 64.44 1pra s SER 55 CO 0.12 -0.07 1.76 0.58 0.98 0.00 0.00 173.24 176.61 1pra h VAL 56 N 1.53 0.79 -1.02 5.02 2.07 -1.93 0.20 116.25 122.91 1pra h VAL 56 Ca -0.48 -0.18 0.25 0.00 0.82 0.00 0.00 66.70 67.12 1pra h VAL 56 Cb 1.19 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 1pra h VAL 56 CO 0.68 0.09 0.63 0.44 0.02 0.00 0.00 177.57 179.43 1pra h ASP 57 N 0.51 0.58 0.67 0.57 3.32 -1.99 0.28 116.42 120.37 1pra h ASP 57 Ca 0.35 0.11 -0.22 0.00 0.02 0.00 0.00 57.03 57.29 1pra h ASP 57 Cb 0.42 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1pra h ASP 57 CO -0.30 0.11 -0.99 -0.25 -1.72 0.00 0.00 179.24 176.08 1pra h TRP 58 N 0.52 0.29 0.00 4.55 7.01 -1.07 0.27 115.95 127.51 1pra h TRP 58 Ca 0.62 -0.18 0.00 0.00 2.11 0.00 0.00 58.89 61.43 1pra h TRP 58 Cb 1.32 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 1pra h TRP 58 CO -0.00 1.06 0.00 -0.07 -2.79 0.00 0.00 178.44 176.63 1pra h LEU 59 N 0.08 0.00 0.00 0.65 3.38 0.11 0.35 115.31 119.88 1pra h LEU 59 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1pra h LEU 59 Cb 1.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1pra h LEU 59 CO 0.15 0.00 -1.49 0.18 0.09 0.00 0.00 178.44 177.37 1pra n LEU 60 N -3.03 1.89 -0.01 1.67 4.77 0.33 -4.77 117.00 117.86 1pra n LEU 60 Ca -0.01 0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1pra n LEU 60 Cb 0.18 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1pra n LEU 60 CO 0.23 0.15 0.02 0.78 -1.33 0.00 0.00 177.39 177.24 1pra h ASN 61 N -1.00 -0.02 -3.67 -1.43 2.35 -0.57 -3.50 115.58 107.74 1pra h ASN 61 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1pra h ASN 61 Cb 1.21 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1pra h ASN 61 CO -0.21 0.18 -0.00 0.61 -1.65 0.00 0.00 177.43 176.36 1pra n GLY 62 N 1.76 -0.57 2.54 2.83 0.00 0.12 -4.99 105.19 106.88 1pra n GLY 62 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.98 -0.06 1.03 2.61 -4.23 -1.26 -5.07 115.64 105.69 1pra s THR 63 Ca 0.00 -0.77 -0.17 0.00 -1.18 0.00 0.00 61.69 59.58 1pra s THR 63 Cb -0.00 -0.99 0.22 0.00 1.34 0.00 0.00 72.50 73.07 1pra s THR 63 CO 0.21 -0.73 1.24 -0.55 -0.54 0.00 0.00 174.62 174.25 1pra s SER 64 N 2.09 2.46 0.20 3.99 0.15 -1.26 -5.00 113.70 116.33 1pra s SER 64 Ca 0.09 0.45 -0.32 0.00 0.70 0.00 0.00 55.95 56.87 1pra s SER 64 Cb -0.16 -0.61 -0.15 0.00 -1.71 0.00 0.00 66.02 63.39 1pra s SER 64 CO -0.37 -3.16 1.09 -0.67 1.20 0.00 0.00 173.24 171.34 1pra n ASP 65 N -4.08 1.18 -2.81 5.45 2.03 -1.26 -4.96 116.55 112.09 1pra n ASP 65 Ca 0.14 1.15 -0.02 0.00 0.52 0.00 0.00 54.79 56.58 1pra n ASP 65 Cb 0.59 -1.21 0.01 0.00 -0.72 0.00 0.00 41.12 39.80 1pra n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1pra s SER 66 N -0.18 -0.84 -0.02 1.67 0.15 -1.26 -5.01 113.70 108.21 1pra s SER 66 Ca 0.70 -0.78 0.21 0.00 0.70 0.00 0.00 55.95 56.78 1pra s SER 66 Cb -0.83 1.08 -0.28 0.00 -1.71 0.00 0.00 66.02 64.29 1pra s SER 66 CO 0.54 -0.05 0.51 -3.20 1.20 0.00 0.00 173.24 172.24 1pra n ASN 67 N 3.22 0.14 -4.63 5.45 2.85 -1.26 -4.99 115.26 116.04 1pra n ASN 67 Ca 0.12 0.06 -0.44 0.00 -0.11 0.00 0.00 54.58 54.21 1pra n ASN 67 Cb 0.61 1.61 -0.01 0.00 1.24 0.00 0.00 39.78 43.22 1pra n ASN 67 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1pra n VAL 68 N -2.40 1.85 1.14 3.44 0.31 -1.26 -5.36 118.33 116.05 1pra n VAL 68 Ca -0.07 -0.46 0.13 0.00 -0.01 0.00 0.00 64.34 63.92 1pra n VAL 68 Cb 0.65 -1.21 0.22 0.00 -0.91 0.00 0.00 33.84 32.59 1pra n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05