#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve h SER 2 N 0.00 0.00 -0.19 1.61 0.02 -2.04 -1.23 113.55 111.72 1pve h SER 2 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1pve h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1pve h SER 2 CO 0.00 0.00 0.22 1.12 -1.14 0.00 0.00 176.83 177.03 1pve h HIS 3 N 0.00 0.00 -3.51 3.45 -0.00 -2.07 -3.35 115.15 109.67 1pve h HIS 3 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.70 1pve h HIS 3 Cb 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 27.37 1pve h HIS 3 CO 0.00 0.00 0.03 1.41 -0.00 0.00 0.00 177.93 179.37 1pve s MET 4 N -4.63 3.20 0.02 5.12 -2.45 -0.47 -4.99 119.30 115.10 1pve s MET 4 Ca -0.05 -0.57 0.19 0.00 -1.25 0.00 0.00 55.69 54.02 1pve s MET 4 Cb 0.15 -3.98 0.80 0.00 1.25 0.00 0.00 34.83 33.05 1pve s MET 4 CO 0.55 -1.01 1.60 -0.35 1.05 0.00 0.00 175.02 176.86 1pve n PRO 5 N 6.08 0.02 -0.08 4.11 -0.04 -1.26 -3.16 135.00 140.67 1pve n PRO 5 Ca -0.04 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 1pve n PRO 5 Cb 0.47 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1pve n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pve n LEU 6 N -1.56 0.99 -0.15 1.53 4.77 -1.26 -4.94 117.00 116.38 1pve n LEU 6 Ca 0.04 -1.23 0.24 0.00 -0.03 0.00 0.00 56.01 55.03 1pve n LEU 6 Cb 0.22 -0.05 0.66 0.00 -2.33 0.00 0.00 43.42 41.91 1pve n LEU 6 CO 0.18 0.30 1.23 -0.08 -1.33 0.00 0.00 177.39 177.69 1pve h GLU 7 N 0.00 0.11 -0.23 3.23 4.81 -1.89 -1.75 114.58 118.86 1pve h GLU 7 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1pve h GLU 7 Cb 0.88 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1pve h GLU 7 CO 0.00 0.07 0.18 0.35 -0.73 0.00 0.00 179.01 178.88 1pve h PHE 8 N 0.12 0.00 0.00 0.92 3.57 -1.92 -2.91 116.94 116.71 1pve h PHE 8 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1pve h PHE 8 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1pve h PHE 8 CO -0.00 0.00 0.00 -0.07 -2.23 0.00 0.00 178.31 176.01 1pve h LEU 9 N 0.00 0.00 -2.00 0.59 3.38 -1.75 -3.40 115.31 112.13 1pve h LEU 9 Ca 0.11 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.25 1pve h LEU 9 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1pve h LEU 9 CO -0.00 0.00 0.47 0.08 0.09 0.00 0.00 178.44 179.08 1pve h ARG 10 N 0.00 0.00 0.00 1.13 -0.00 -1.73 -3.23 114.38 110.55 1pve h ARG 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1pve h ARG 10 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1pve h ARG 10 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 180.06 1pve n ASN 11 N -4.20 0.00 -4.77 0.08 3.02 -1.26 -4.96 115.26 103.17 1pve n ASN 11 Ca 0.12 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.26 1pve n ASN 11 Cb 0.71 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.87 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pve s GLN 12 N 0.00 4.15 0.42 3.52 -1.52 -1.22 -4.75 119.66 120.25 1pve s GLN 12 Ca 0.00 2.35 0.18 0.00 -1.95 0.00 0.00 55.36 55.94 1pve s GLN 12 Cb 0.00 -2.95 1.10 0.00 -0.22 0.00 0.00 33.01 30.94 1pve s GLN 12 CO 0.00 -0.41 1.84 -1.35 -0.25 0.00 0.00 175.29 175.12 1pve h PRO 13 N 3.04 0.38 0.00 2.91 0.11 -2.00 0.28 132.00 136.72 1pve h PRO 13 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1pve h PRO 13 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pve h PRO 13 CO 0.64 0.25 -0.09 0.37 -0.21 0.00 0.00 178.00 178.97 1pve h GLN 14 N 0.40 0.00 0.00 1.05 5.75 -1.98 -3.27 115.11 117.05 1pve h GLN 14 Ca 0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1pve h GLN 14 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1pve h GLN 14 CO -0.19 0.09 -0.78 1.19 -2.65 0.00 0.00 178.83 176.49 1pve n PHE 15 N -3.62 0.00 -0.08 3.99 3.72 -0.06 -4.39 117.46 117.02 1pve n PHE 15 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 1pve n PHE 15 Cb 0.20 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1pve n PHE 15 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1pve h GLN 16 N 0.00 0.37 0.00 -1.08 4.20 -1.21 -3.28 115.11 114.11 1pve h GLN 16 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pve h GLN 16 Cb 0.21 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1pve h GLN 16 CO 0.00 0.29 -0.06 1.96 -0.67 0.00 0.00 178.83 180.35 1pve h GLN 17 N 0.35 0.00 0.06 1.46 4.20 -1.76 -2.95 115.11 116.47 1pve h GLN 17 Ca 0.10 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.44 1pve h GLN 17 Cb 0.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1pve h GLN 17 CO -0.02 0.06 -2.20 0.00 -0.67 0.00 0.00 178.83 176.00 1pve n MET 18 N -3.69 0.70 0.10 1.46 0.00 -1.25 -4.22 117.12 110.22 1pve n MET 18 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 57.70 57.89 1pve n MET 18 Cb 0.16 -1.63 0.35 0.00 0.00 0.00 0.00 33.22 32.11 1pve n MET 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pve h ARG 19 N 0.03 0.28 -0.76 3.17 3.08 -1.60 -1.56 114.38 117.03 1pve h ARG 19 Ca -0.49 -0.07 0.19 0.00 0.07 0.00 0.00 59.98 59.68 1pve h ARG 19 Cb 1.99 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.96 1pve h ARG 19 CO 0.01 0.43 0.52 1.96 -1.07 0.00 0.00 179.97 181.83 1pve h GLN 20 N 0.27 0.22 0.14 0.04 4.20 -1.70 -1.25 115.11 117.03 1pve h GLN 20 Ca 0.05 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 1pve h GLN 20 Cb 0.42 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.17 1pve h GLN 20 CO 0.03 0.14 -0.81 0.82 -0.67 0.00 0.00 178.83 178.34 1pve h ILE 21 N 0.22 1.51 -0.09 2.54 2.04 -1.46 -3.36 117.51 118.92 1pve h ILE 21 Ca 0.38 -2.54 -0.14 0.00 1.00 0.00 0.00 64.86 63.56 1pve h ILE 21 Cb 1.14 3.20 -0.01 0.00 -0.74 0.00 0.00 36.82 40.41 1pve h ILE 21 CO -0.08 0.72 -0.57 0.40 0.00 0.00 0.00 178.15 178.62 1pve h ILE 22 N -0.38 1.37 0.00 -0.67 1.08 -1.28 0.27 117.51 117.90 1pve h ILE 22 Ca -0.14 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 1pve h ILE 22 Cb 1.64 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1pve h ILE 22 CO 0.15 0.56 0.00 0.00 -0.69 0.00 0.00 178.15 178.17 1pve n GLN 23 N -3.91 0.54 0.00 2.37 6.02 -0.51 -1.77 117.38 120.12 1pve n GLN 23 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1pve n GLN 23 Cb 0.59 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.58 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pve n GLN 24 N -0.77 1.23 -3.67 -1.09 6.02 -0.91 -4.95 117.38 113.24 1pve n GLN 24 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1pve n GLN 24 Cb 0.03 -0.85 -0.11 0.00 1.02 0.00 0.00 30.24 30.33 1pve n GLN 24 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1pve s ASN 25 N -3.11 3.30 0.60 1.08 -0.87 0.04 -4.98 114.94 111.00 1pve s ASN 25 Ca 0.00 -3.39 0.38 0.00 -1.57 0.00 0.00 52.86 48.28 1pve s ASN 25 Cb 0.00 -1.08 1.86 0.00 -0.02 0.00 0.00 41.25 42.02 1pve s ASN 25 CO 0.00 -0.14 2.17 1.55 -2.57 0.00 0.00 177.10 178.11 1pve h PRO 26 N 5.65 0.00 0.00 -0.60 0.13 -1.59 -1.80 132.00 133.79 1pve h PRO 26 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1pve h PRO 26 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pve h PRO 26 CO 0.55 0.02 0.17 0.66 -0.23 0.00 0.00 178.00 179.17 1pve h SER 27 N 0.00 0.00 -0.36 1.44 4.64 -1.93 -2.15 113.55 115.19 1pve h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pve h SER 27 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1pve h SER 27 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1pve n LEU 28 N -2.81 3.32 -0.06 5.97 4.77 -0.68 -4.44 117.00 123.08 1pve n LEU 28 Ca -0.02 -1.41 -0.07 0.00 -0.03 0.00 0.00 56.01 54.47 1pve n LEU 28 Cb 0.22 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1pve n LEU 28 CO 0.15 0.71 0.78 0.25 -1.33 0.00 0.00 177.39 177.94 1pve h LEU 29 N 4.35 -0.40 -0.62 2.23 5.85 -1.55 -0.81 115.31 124.36 1pve h LEU 29 Ca 0.00 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.96 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 1pve h LEU 29 CO 0.00 -0.15 0.04 -0.65 -0.34 0.00 0.00 178.44 177.34 1pve h PRO 30 N -0.08 0.15 0.00 5.25 0.11 -1.82 -1.39 132.00 134.21 1pve h PRO 30 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1pve h PRO 30 Cb 0.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1pve h PRO 30 CO -0.31 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.58 1pve n ALA 31 N -2.74 1.51 -0.09 -0.75 0.00 -0.84 -0.97 120.51 116.62 1pve n ALA 31 Ca 0.09 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 1pve n ALA 31 Cb 0.36 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1pve n ALA 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pve n LEU 32 N -2.09 2.75 -0.26 0.00 7.94 -0.37 -3.27 117.00 121.70 1pve n LEU 32 Ca 0.02 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1pve n LEU 32 Cb 0.17 -0.97 0.13 0.00 0.53 0.00 0.00 43.42 43.27 1pve n LEU 32 CO 0.16 0.86 1.12 -0.07 -1.11 0.00 0.00 177.39 178.34 1pve h LEU 33 N -0.10 0.61 -1.47 -1.96 3.38 -1.13 0.34 115.31 114.99 1pve h LEU 33 Ca -0.53 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.51 1pve h LEU 33 Cb 1.90 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1pve h LEU 33 CO -0.06 0.38 0.39 1.56 0.09 0.00 0.00 178.44 180.80 1pve h GLN 34 N 0.75 0.67 0.10 1.13 4.20 -1.22 -1.20 115.11 119.53 1pve h GLN 34 Ca 0.34 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.75 1pve h GLN 34 Cb 0.26 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1pve h GLN 34 CO -0.21 0.44 -1.16 0.37 -0.67 0.00 0.00 178.83 177.60 1pve h GLN 35 N 0.69 0.36 -0.79 1.46 5.75 -1.09 -1.86 115.11 119.63 1pve h GLN 35 Ca 0.24 -0.52 0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1pve h GLN 35 Cb 0.09 0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 1pve h GLN 35 CO -0.06 1.21 0.47 0.82 -2.65 0.00 0.00 178.83 178.62 1pve h ILE 36 N 0.14 1.02 -0.26 2.39 2.04 -0.89 -2.22 117.51 119.73 1pve h ILE 36 Ca -0.13 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1pve h ILE 36 Cb 1.85 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1pve h ILE 36 CO 0.20 0.16 0.17 1.23 0.00 0.00 0.00 178.15 179.91 1pve h GLY 37 N 0.87 0.37 1.81 5.37 0.00 -0.87 0.26 103.07 110.87 1pve h GLY 37 Ca 0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.42 1pve h GLY 37 CO -0.17 0.14 -0.47 3.21 0.00 0.00 0.00 176.54 179.24 1pve h ARG 38 N 0.36 0.21 0.00 4.80 2.47 -0.72 -3.31 114.38 118.19 1pve h ARG 38 Ca 0.10 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1pve h ARG 38 Cb -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1pve h ARG 38 CO -0.02 0.64 -1.11 0.39 0.56 0.00 0.00 179.97 180.44 1pve n GLU 39 N -3.97 2.29 -3.07 0.04 1.02 -1.08 -4.86 120.64 111.00 1pve n GLU 39 Ca -0.02 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 1pve n GLU 39 Cb 0.52 -1.04 -0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1pve n GLU 39 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pve n ASN 40 N -1.87 -0.09 0.22 1.62 4.13 0.89 -4.99 115.26 115.17 1pve n ASN 40 Ca -0.02 -3.14 0.17 0.00 1.68 0.00 0.00 54.58 53.27 1pve n ASN 40 Cb 0.36 0.04 0.85 0.00 -1.54 0.00 0.00 39.78 39.49 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1pve h PRO 41 N 3.15 0.00 -0.25 3.52 0.13 -1.64 -0.25 132.00 136.67 1pve h PRO 41 Ca 0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1pve h PRO 41 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1pve h PRO 41 CO 0.41 0.00 -0.26 1.96 -0.23 0.00 0.00 178.00 179.88 1pve h GLN 42 N 0.00 0.61 -0.11 0.86 4.20 -1.92 -0.94 115.11 117.81 1pve h GLN 42 Ca 0.07 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 1pve h GLN 42 Cb 0.43 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1pve h GLN 42 CO -0.00 0.93 -0.31 1.25 -0.67 0.00 0.00 178.83 180.02 1pve h LEU 43 N 0.32 0.21 0.26 1.46 5.85 -1.62 -2.55 115.31 119.25 1pve h LEU 43 Ca 0.04 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1pve h LEU 43 Cb 0.82 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1pve h LEU 43 CO 0.06 0.52 -0.13 0.25 -0.34 0.00 0.00 178.44 178.81 1pve h LEU 44 N 0.19 -0.30 -2.24 2.25 7.12 -0.92 0.47 115.31 121.88 1pve h LEU 44 Ca 0.03 -0.21 0.04 0.00 0.13 0.00 0.00 57.88 57.87 1pve h LEU 44 Cb 0.65 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1pve h LEU 44 CO 0.05 0.08 0.15 1.56 -0.13 0.00 0.00 178.44 180.15 1pve h GLN 45 N -0.72 0.00 0.01 1.25 1.08 -1.24 0.22 115.11 115.71 1pve h GLN 45 Ca -0.04 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1pve h GLN 45 Cb 0.49 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1pve h GLN 45 CO 0.06 0.00 -0.35 1.96 -0.95 0.00 0.00 178.83 179.55 1pve h GLN 46 N 0.00 0.21 -0.86 1.46 4.20 -1.27 -3.12 115.11 115.74 1pve h GLN 46 Ca 0.07 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1pve h GLN 46 Cb 0.37 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1pve h GLN 46 CO -0.00 0.99 0.57 0.82 -0.67 0.00 0.00 178.83 180.53 1pve h ILE 47 N -0.45 1.18 -0.18 2.54 2.04 -0.18 -2.32 117.51 120.13 1pve h ILE 47 Ca -0.05 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 1pve h ILE 47 Cb 1.12 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1pve h ILE 47 CO 0.07 0.20 -0.41 0.77 0.00 0.00 0.00 178.15 178.78 1pve h SER 48 N 1.11 0.45 0.77 1.72 4.64 -1.11 -0.28 113.55 120.85 1pve h SER 48 Ca 0.33 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1pve h SER 48 Cb -0.05 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1pve h SER 48 CO -0.09 0.81 0.00 1.56 -0.87 0.00 0.00 176.83 178.25 1pve h GLN 49 N 0.35 0.00 0.00 4.77 4.20 -1.38 -3.31 115.11 119.74 1pve h GLN 49 Ca 0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 49 Cb 0.87 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1pve h GLN 49 CO 0.07 0.00 -0.48 0.72 -0.67 0.00 0.00 178.83 178.48 1pve n HIS 50 N -2.32 0.00 0.14 2.96 8.25 -0.91 -4.96 115.22 118.38 1pve n HIS 50 Ca 0.02 -0.39 0.08 0.00 -0.26 0.00 0.00 57.72 57.17 1pve n HIS 50 Cb 0.24 -0.10 0.57 0.00 1.12 0.00 0.00 29.99 31.82 1pve n HIS 50 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1pve h GLN 51 N 0.22 0.19 -0.04 -0.41 4.15 -1.15 -0.80 115.11 117.27 1pve h GLN 51 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1pve h GLN 51 Cb 1.37 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1pve h GLN 51 CO 0.02 0.12 -0.03 0.93 -1.93 0.00 0.00 178.83 177.94 1pve h GLU 52 N 0.19 0.05 0.09 1.69 5.08 -1.91 -0.89 114.58 118.88 1pve h GLU 52 Ca 0.08 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.13 1pve h GLU 52 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1pve h GLU 52 CO -0.01 0.09 -1.60 0.45 -1.00 0.00 0.00 179.01 176.93 1pve h HIS 53 N 0.05 0.36 -0.30 4.33 3.86 -1.55 -3.33 115.15 118.58 1pve h HIS 53 Ca 0.01 -0.26 0.01 0.00 -1.16 0.00 0.00 60.37 58.96 1pve h HIS 53 Cb 0.09 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1pve h HIS 53 CO 0.00 1.36 0.19 0.35 0.86 0.00 0.00 177.93 180.69 1pve h PHE 54 N 0.05 0.36 -0.47 2.45 3.57 -1.02 -2.61 116.94 119.27 1pve h PHE 54 Ca -0.26 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.31 1pve h PHE 54 Cb 2.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.60 1pve h PHE 54 CO 0.05 0.22 0.32 0.82 -2.23 0.00 0.00 178.31 177.49 1pve h ILE 55 N 0.39 0.96 -0.02 1.41 2.04 -1.33 0.26 117.51 121.21 1pve h ILE 55 Ca 0.11 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1pve h ILE 55 Cb -0.04 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1pve h ILE 55 CO -0.03 0.07 0.01 1.56 0.00 0.00 0.00 178.15 179.76 1pve h GLN 56 N 0.37 0.03 -0.40 2.37 1.08 -1.58 -1.05 115.11 115.94 1pve h GLN 56 Ca 0.21 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1pve h GLN 56 Cb 0.34 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1pve h GLN 56 CO -0.05 0.09 -0.23 0.52 -0.95 0.00 0.00 178.83 178.21 1pve h MET 57 N -0.05 0.81 -0.08 1.46 2.86 -1.18 -1.02 114.93 117.73 1pve h MET 57 Ca 0.01 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1pve h MET 57 Cb 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1pve h MET 57 CO -0.00 0.96 -0.16 1.25 1.06 0.00 0.00 176.91 180.02 1pve h LEU 58 N 0.70 0.12 0.00 1.22 7.12 -0.95 -3.33 115.31 120.19 1pve h LEU 58 Ca 0.09 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1pve h LEU 58 Cb 0.75 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1pve h LEU 58 CO 0.06 0.29 -1.09 -3.20 -0.13 0.00 0.00 178.44 174.37 1pve n ASN 59 N -4.29 1.61 -4.76 1.25 5.15 -0.40 -4.78 115.26 109.04 1pve n ASN 59 Ca -0.01 -0.32 -0.39 0.00 -0.60 0.00 0.00 54.58 53.25 1pve n ASN 59 Cb 0.26 1.29 0.03 0.00 -0.53 0.00 0.00 39.78 40.83 1pve n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1pve s GLU 60 N -2.46 3.39 0.12 1.20 0.41 -0.41 -4.93 118.70 116.02 1pve s GLU 60 Ca -0.01 2.26 -0.35 0.00 -0.41 0.00 0.00 54.97 56.46 1pve s GLU 60 Cb 0.08 -2.41 -0.15 0.00 -1.78 0.00 0.00 34.13 29.86 1pve s GLU 60 CO 0.46 -1.00 1.47 -2.30 -0.49 0.00 0.00 175.26 173.40 1pve n PRO 61 N -0.68 1.67 0.00 0.39 -0.02 -1.26 -4.90 135.00 130.20 1pve n PRO 61 Ca 0.08 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1pve n PRO 61 Cb 0.44 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.18 1pve n PRO 61 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1pve n VAL 62 N 3.02 0.29 -3.87 -1.45 0.24 -1.26 -4.83 118.33 110.48 1pve n VAL 62 Ca 0.18 0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.45 1pve n VAL 62 Cb 0.24 -0.70 -0.08 0.00 -1.47 0.00 0.00 33.84 31.83 1pve n VAL 62 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1pve s GLN 63 N -2.60 0.69 0.17 7.34 0.74 -1.26 -5.10 119.66 119.64 1pve s GLN 63 Ca 0.21 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1pve s GLN 63 Cb 0.15 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 1pve s GLN 63 CO 0.35 -0.20 0.08 -1.83 -0.55 0.00 0.00 175.29 173.15 1pve s GLU 64 N -2.81 1.08 0.00 1.67 4.04 -1.26 -4.92 118.70 116.51 1pve s GLU 64 Ca -0.03 -1.54 0.00 0.00 0.04 0.00 0.00 54.97 53.43 1pve s GLU 64 Cb 0.00 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.32 1pve s GLU 64 CO -0.05 -0.30 0.00 0.00 -1.84 0.00 0.00 175.26 173.07 1pve n ALA 65 N -0.20 0.00 0.18 -0.84 0.00 -1.26 -4.73 120.51 113.66 1pve n ALA 65 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 1pve n ALA 65 Cb 0.65 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.87 1pve n ALA 65 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pve h GLY 66 N 0.00 0.00 1.35 0.00 0.00 -1.98 -2.33 103.07 100.10 1pve h GLY 66 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1pve h GLY 66 CO 0.00 0.00 0.26 -1.33 0.00 0.00 0.00 176.54 175.47 1pve h GLY 67 N 0.00 0.00 2.00 4.60 0.00 -1.85 -1.62 103.07 106.21 1pve h GLY 67 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1pve h GLY 67 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1pve n GLN 68 N -3.72 0.15 -0.56 4.80 6.02 -0.88 -2.84 117.38 120.35 1pve n GLN 68 Ca 0.03 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1pve n GLN 68 Cb 0.39 -1.84 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1pve n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pve n GLY 69 N -0.45 0.67 0.79 1.08 0.00 -0.69 -4.94 105.19 101.66 1pve n GLY 69 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1pve n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 70 N 0.02 -0.08 0.16 -0.02 0.00 -0.73 -5.12 105.19 99.42 1pve n GLY 70 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pve n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 71 N -0.05 0.99 0.00 -0.02 0.00 -1.13 -4.68 105.19 100.30 1pve n GLY 71 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93