#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve n SER 2 N 0.00 -0.52 0.00 1.61 3.41 -1.26 -4.99 113.62 111.87 1pve n SER 2 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1pve n SER 2 Cb 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1pve n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pve n HIS 3 N -0.96 0.00 -4.04 7.33 8.25 -1.26 -5.07 115.22 119.48 1pve n HIS 3 Ca -0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 1pve n HIS 3 Cb 0.85 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.86 1pve n HIS 3 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1pve s MET 4 N -1.54 0.54 0.83 -0.41 1.00 -1.26 -5.16 119.30 113.29 1pve s MET 4 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 55.69 54.57 1pve s MET 4 Cb 0.00 0.19 0.09 0.00 0.00 0.00 0.00 34.83 35.11 1pve s MET 4 CO 0.00 -0.10 1.10 -1.25 0.00 0.00 0.00 175.02 174.77 1pve s PRO 5 N -3.17 1.80 0.00 2.03 0.04 -1.26 -4.07 135.00 130.38 1pve s PRO 5 Ca -0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1pve s PRO 5 Cb 0.02 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1pve s PRO 5 CO -0.07 -1.95 0.00 1.28 0.04 0.00 0.00 177.00 176.30 1pve n LEU 6 N -3.73 0.00 0.28 -3.56 4.77 -1.26 -4.84 117.00 108.66 1pve n LEU 6 Ca 0.09 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.23 1pve n LEU 6 Cb 0.53 -0.46 0.92 0.00 -2.33 0.00 0.00 43.42 42.08 1pve n LEU 6 CO 0.53 0.00 1.14 1.05 -1.33 0.00 0.00 177.39 178.78 1pve h GLU 7 N 0.15 0.00 0.00 3.23 4.11 -1.96 -1.18 114.58 118.93 1pve h GLU 7 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pve h GLU 7 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pve h GLU 7 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1pve n PHE 8 N -3.75 0.36 0.05 2.06 3.72 -1.26 -2.34 117.46 116.29 1pve n PHE 8 Ca -0.02 0.16 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 1pve n PHE 8 Cb 0.15 -0.76 -0.08 0.00 -0.94 0.00 0.00 39.48 37.85 1pve n PHE 8 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pve n LEU 9 N -1.84 0.44 -0.03 4.37 4.77 -0.45 -4.67 117.00 119.59 1pve n LEU 9 Ca 0.01 0.17 0.20 0.00 -0.03 0.00 0.00 56.01 56.36 1pve n LEU 9 Cb 0.12 -0.03 0.67 0.00 -2.33 0.00 0.00 43.42 41.85 1pve n LEU 9 CO 0.11 -0.09 1.19 -0.09 -1.33 0.00 0.00 177.39 177.18 1pve h ARG 10 N 0.00 0.05 -0.01 3.23 2.43 -1.60 -1.92 114.38 116.56 1pve h ARG 10 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1pve h ARG 10 Cb 1.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1pve h ARG 10 CO 0.00 0.03 0.00 0.09 -1.51 0.00 0.00 179.97 178.59 1pve n ASN 11 N -4.39 1.97 -4.76 -3.80 3.02 -1.26 -4.66 115.26 101.39 1pve n ASN 11 Ca 0.11 -1.49 -0.34 0.00 -0.03 0.00 0.00 54.58 52.83 1pve n ASN 11 Cb 0.61 -0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.97 2.65 0.47 3.52 -1.52 -0.72 -4.71 119.66 118.38 1pve s GLN 12 Ca 0.14 1.52 0.23 0.00 -1.95 0.00 0.00 55.36 55.29 1pve s GLN 12 Cb 0.10 -1.92 1.24 0.00 -0.22 0.00 0.00 33.01 32.21 1pve s GLN 12 CO 0.15 -1.39 1.87 -1.35 -0.25 0.00 0.00 175.29 174.32 1pve h PRO 13 N 0.04 0.23 0.04 2.91 0.11 -1.97 -0.31 132.00 133.04 1pve h PRO 13 Ca -0.47 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.39 1pve h PRO 13 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pve h PRO 13 CO 0.53 0.15 -1.01 1.96 -0.21 0.00 0.00 178.00 179.42 1pve h GLN 14 N 0.24 0.33 0.00 1.05 4.20 -1.94 -3.31 115.11 115.68 1pve h GLN 14 Ca 0.44 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1pve h GLN 14 Cb 1.36 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1pve h GLN 14 CO -0.11 1.11 -0.03 0.74 -0.67 0.00 0.00 178.83 179.87 1pve h PHE 15 N 0.16 0.00 0.00 2.96 -1.00 -1.37 -0.29 116.94 117.40 1pve h PHE 15 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1pve h PHE 15 Cb 1.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.23 1pve h PHE 15 CO 0.05 0.03 0.00 1.04 -1.61 0.00 0.00 178.31 177.82 1pve n GLN 16 N -3.11 0.06 0.00 1.51 6.02 -0.54 -4.40 117.38 116.92 1pve n GLN 16 Ca 0.03 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1pve n GLN 16 Cb 0.48 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1pve n GLN 16 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pve n GLN 17 N -1.75 0.00 -0.03 -1.09 6.02 -0.75 -4.77 117.38 115.02 1pve n GLN 17 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.06 1pve n GLN 17 Cb 0.12 -0.38 0.43 0.00 1.02 0.00 0.00 30.24 31.43 1pve n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pve h MET 18 N 0.00 0.53 -0.02 -1.09 -0.00 -1.29 -1.57 114.93 111.49 1pve h MET 18 Ca 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.58 1pve h MET 18 Cb 0.64 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 1pve h MET 18 CO 0.00 0.35 -0.42 0.00 -0.00 0.00 0.00 176.91 176.85 1pve h ARG 19 N 0.55 0.04 -0.49 -0.10 3.08 -1.82 -2.56 114.38 113.07 1pve h ARG 19 Ca 0.18 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1pve h ARG 19 Cb 0.05 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1pve h ARG 19 CO -0.04 0.45 0.33 1.96 -1.07 0.00 0.00 179.97 181.60 1pve h GLN 20 N 0.03 0.64 -0.25 0.04 4.20 -1.58 -0.51 115.11 117.68 1pve h GLN 20 Ca 0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1pve h GLN 20 Cb 0.75 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1pve h GLN 20 CO 0.06 0.42 -0.00 0.82 -0.67 0.00 0.00 178.83 179.46 1pve h ILE 21 N 0.66 1.26 0.01 2.54 2.04 -1.48 -3.27 117.51 119.27 1pve h ILE 21 Ca 0.18 -0.92 -0.20 0.00 1.00 0.00 0.00 64.86 64.92 1pve h ILE 21 Cb -0.06 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1pve h ILE 21 CO -0.04 0.29 -0.90 0.40 0.00 0.00 0.00 178.15 177.90 1pve h ILE 22 N 0.22 1.49 0.00 -0.67 1.08 -1.41 -0.69 117.51 117.53 1pve h ILE 22 Ca 0.07 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 1pve h ILE 22 Cb 0.42 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1pve h ILE 22 CO 0.01 0.77 0.00 0.00 -0.69 0.00 0.00 178.15 178.24 1pve n GLN 23 N -3.66 0.58 0.00 2.37 6.02 -0.24 -1.71 117.38 120.75 1pve n GLN 23 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1pve n GLN 23 Cb 0.82 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.79 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 -0.80 1.04 -3.70 -1.09 6.02 -1.14 -4.95 117.38 112.77 1pve n GLN 24 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1pve n GLN 24 Cb 0.04 -0.84 -0.12 0.00 1.02 0.00 0.00 30.24 30.34 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 -3.17 3.45 0.59 1.08 -0.87 -0.28 -4.97 114.94 110.77 1pve s ASN 25 Ca 0.00 -3.39 0.37 0.00 -1.57 0.00 0.00 52.86 48.27 1pve s ASN 25 Cb 0.00 -1.13 1.80 0.00 -0.02 0.00 0.00 41.25 41.91 1pve s ASN 25 CO 0.00 -0.14 2.16 1.55 -2.57 0.00 0.00 177.10 178.10 1pve h PRO 26 N 5.69 0.00 0.00 -0.60 0.13 -1.57 -1.56 132.00 134.08 1pve h PRO 26 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 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 0.56 0.03 0.16 0.66 -0.23 0.00 0.00 178.00 179.18 1pve h SER 27 N 0.00 0.00 -0.45 1.44 4.64 -1.93 -2.25 113.55 115.00 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 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 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 -2.68 3.56 -0.05 5.97 4.77 -0.59 -4.48 117.00 123.50 1pve n LEU 28 Ca -0.02 -1.60 -0.08 0.00 -0.03 0.00 0.00 56.01 54.29 1pve n LEU 28 Cb 0.21 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1pve n LEU 28 CO 0.13 0.79 0.75 0.25 -1.33 0.00 0.00 177.39 177.99 1pve h LEU 29 N 4.43 -0.51 -0.60 2.23 5.85 -1.56 -0.70 115.31 124.45 1pve h LEU 29 Ca 0.00 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.99 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1pve h LEU 29 CO 0.00 -0.19 0.02 -0.65 -0.34 0.00 0.00 178.44 177.28 1pve h PRO 30 N -0.14 0.14 0.00 5.25 0.11 -1.83 -1.93 132.00 133.60 1pve h PRO 30 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1pve h PRO 30 Cb 0.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1pve h PRO 30 CO -0.33 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.55 1pve n ALA 31 N -2.74 1.47 -0.06 -0.75 0.00 -0.76 -0.79 120.51 116.88 1pve n ALA 31 Ca 0.08 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1pve n ALA 31 Cb 0.34 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.85 2.58 -0.18 0.00 7.94 -0.34 -2.97 117.00 122.18 1pve n LEU 32 Ca 0.02 0.15 -0.04 0.00 -1.11 0.00 0.00 56.01 55.03 1pve n LEU 32 Cb 0.14 -1.02 0.06 0.00 0.53 0.00 0.00 43.42 43.13 1pve n LEU 32 CO 0.13 0.78 1.04 -0.07 -1.11 0.00 0.00 177.39 178.16 1pve h LEU 33 N -0.17 0.42 -1.59 -1.96 3.38 -1.14 -0.16 115.31 114.09 1pve h LEU 33 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1pve h LEU 33 Cb 1.87 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1pve h LEU 33 CO -0.04 0.29 0.25 1.56 0.09 0.00 0.00 178.44 180.58 1pve h GLN 34 N 0.55 0.52 -0.14 1.13 4.20 -1.13 -2.20 115.11 118.04 1pve h GLN 34 Ca 0.24 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 1pve h GLN 34 Cb 0.14 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.81 1pve h GLN 34 CO -0.16 0.35 -0.67 0.37 -0.67 0.00 0.00 178.83 178.06 1pve h GLN 35 N 0.53 0.70 -0.86 1.46 -0.00 -1.10 -2.94 115.11 112.90 1pve h GLN 35 Ca 0.14 -0.56 0.10 0.00 -0.00 0.00 0.00 58.65 58.33 1pve h GLN 35 Cb -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.48 1pve h GLN 35 CO -0.03 1.18 0.50 0.82 0.00 0.00 0.00 178.83 181.30 1pve h ILE 36 N 0.39 0.92 -0.02 2.39 2.04 -0.93 -1.37 117.51 120.93 1pve h ILE 36 Ca -0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1pve h ILE 36 Cb 1.30 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pve h ILE 36 CO 0.14 0.15 0.04 1.23 0.00 0.00 0.00 178.15 179.71 1pve h GLY 37 N 0.84 0.00 1.09 5.37 0.00 -1.22 0.15 103.07 109.30 1pve h GLY 37 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1pve h GLY 37 CO -0.25 0.00 -0.28 0.54 0.00 0.00 0.00 176.54 176.56 1pve n ARG 38 N -3.35 0.26 0.00 4.80 5.12 -0.52 -3.87 116.66 119.10 1pve n ARG 38 Ca -0.03 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1pve n ARG 38 Cb 0.12 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1pve n ARG 38 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1pve n GLU 39 N -1.27 1.42 -3.17 5.56 0.28 -0.91 -4.96 120.64 117.58 1pve n GLU 39 Ca 0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.87 1pve n GLU 39 Cb 0.33 -0.65 -0.06 0.00 1.43 0.00 0.00 31.44 32.48 1pve n GLU 39 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pve n ASN 40 N -0.93 -0.55 0.32 -1.84 3.02 0.49 -4.98 115.26 110.80 1pve n ASN 40 Ca 0.00 -2.69 0.20 0.00 -0.03 0.00 0.00 54.58 52.07 1pve n ASN 40 Cb 0.15 -0.21 1.10 0.00 -0.61 0.00 0.00 39.78 40.20 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1pve h PRO 41 N 4.49 0.00 -0.08 3.52 0.13 -1.67 -0.40 132.00 137.99 1pve h PRO 41 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1pve h PRO 41 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1pve h PRO 41 CO 0.40 0.00 -0.21 1.96 -0.23 0.00 0.00 178.00 179.92 1pve h GLN 42 N 0.00 0.28 -0.34 0.86 4.20 -1.93 -2.20 115.11 115.98 1pve h GLN 42 Ca 0.00 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 1pve h GLN 42 Cb 0.13 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1pve h GLN 42 CO 0.00 0.81 -0.02 1.25 -0.67 0.00 0.00 178.83 180.19 1pve h LEU 43 N -0.20 0.50 0.63 1.46 5.85 -1.73 -2.55 115.31 119.27 1pve h LEU 43 Ca -0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1pve h LEU 43 Cb 0.82 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1pve h LEU 43 CO 0.05 0.59 -0.30 0.25 -0.34 0.00 0.00 178.44 178.69 1pve h LEU 44 N 0.51 -0.71 -1.79 2.25 7.12 -1.07 0.25 115.31 121.87 1pve h LEU 44 Ca 0.11 -0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.20 1pve h LEU 44 Cb 0.37 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1pve h LEU 44 CO 0.01 -0.42 0.34 1.56 -0.13 0.00 0.00 178.44 179.81 1pve h GLN 45 N -0.99 0.23 -0.21 1.25 4.20 -1.46 -0.31 115.11 117.82 1pve h GLN 45 Ca -0.09 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 1pve h GLN 45 Cb 0.68 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.42 1pve h GLN 45 CO 0.14 0.15 -0.64 1.96 -0.67 0.00 0.00 178.83 179.77 1pve h GLN 46 N 0.24 0.81 -0.83 1.46 4.20 -1.16 -2.55 115.11 117.28 1pve h GLN 46 Ca 0.23 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1pve h GLN 46 Cb 0.61 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1pve h GLN 46 CO -0.05 1.21 0.42 0.82 -0.67 0.00 0.00 178.83 180.57 1pve h ILE 47 N 0.57 1.25 -0.45 2.54 2.04 -0.26 -2.86 117.51 120.34 1pve h ILE 47 Ca -0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1pve h ILE 47 Cb 1.26 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1pve h ILE 47 CO 0.14 0.29 0.19 0.28 0.00 0.00 0.00 178.15 179.05 1pve h SER 48 N 1.17 0.57 0.81 1.72 0.02 -1.05 -0.70 113.55 116.08 1pve h SER 48 Ca 0.29 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1pve h SER 48 Cb 0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1pve h SER 48 CO -0.04 0.51 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 1pve n GLN 49 N -4.37 0.14 -1.31 3.45 6.02 -0.97 -3.98 117.38 116.36 1pve n GLN 49 Ca 0.03 0.32 0.03 0.00 -0.01 0.00 0.00 57.00 57.37 1pve n GLN 49 Cb 0.14 -1.74 0.01 0.00 1.02 0.00 0.00 30.24 29.67 1pve n GLN 49 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1pve n HIS 50 N -2.00 0.00 0.25 1.08 8.25 -0.73 -5.00 115.22 117.08 1pve n HIS 50 Ca 0.03 -0.42 0.09 0.00 -0.26 0.00 0.00 57.72 57.16 1pve n HIS 50 Cb 0.25 -0.09 0.65 0.00 1.12 0.00 0.00 29.99 31.93 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 0.78 0.00 -0.81 -0.41 4.15 -1.29 0.07 115.11 117.60 1pve h GLN 51 Ca -0.22 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1pve h GLN 51 Cb 1.78 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.44 1pve h GLN 51 CO 0.06 0.07 0.38 1.49 -1.93 0.00 0.00 178.83 178.90 1pve h GLU 52 N 0.00 1.18 -0.08 1.69 4.81 -1.93 -0.83 114.58 119.42 1pve h GLU 52 Ca -0.00 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 58.89 1pve h GLU 52 Cb 0.14 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1pve h GLU 52 CO 0.01 0.91 -0.65 0.45 -0.73 0.00 0.00 179.01 179.00 1pve h HIS 53 N 1.16 0.41 -0.46 0.92 3.86 -1.39 -1.69 115.15 117.96 1pve h HIS 53 Ca 0.28 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1pve h HIS 53 Cb 0.14 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1pve h HIS 53 CO 0.02 0.87 0.30 0.35 0.86 0.00 0.00 177.93 180.32 1pve h PHE 54 N 0.22 0.59 -0.72 2.45 3.57 -1.24 -2.55 116.94 119.28 1pve h PHE 54 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pve h PHE 54 Cb 1.18 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1pve h PHE 54 CO 0.03 0.39 0.47 0.82 -2.23 0.00 0.00 178.31 177.79 1pve h ILE 55 N 0.62 1.09 0.00 1.41 2.04 -0.89 0.14 117.51 121.93 1pve h ILE 55 Ca 0.17 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1pve h ILE 55 Cb -0.05 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1pve h ILE 55 CO -0.03 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1pve n GLN 56 N -4.46 0.08 -0.09 2.37 1.13 -0.66 -0.99 117.38 114.76 1pve n GLN 56 Ca 0.09 0.44 -0.12 0.00 -1.94 0.00 0.00 57.00 55.48 1pve n GLN 56 Cb 0.15 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 28.76 1pve n GLN 56 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1pve n MET 57 N -1.85 0.53 -0.26 -1.09 2.81 -0.38 -4.66 117.12 112.21 1pve n MET 57 Ca 0.01 0.28 0.20 0.00 -1.81 0.00 0.00 57.70 56.39 1pve n MET 57 Cb 0.11 -1.49 0.52 0.00 -0.71 0.00 0.00 33.22 31.64 1pve n MET 57 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1pve h LEU 58 N -1.00 0.41 -0.49 4.03 7.12 -0.67 -1.76 115.31 122.94 1pve h LEU 58 Ca -0.11 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1pve h LEU 58 Cb 1.02 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1pve h LEU 58 CO -0.07 0.14 -0.01 -3.20 -0.13 0.00 0.00 178.44 175.18 1pve n ASN 59 N -4.53 0.78 -4.59 1.25 5.15 -0.16 -4.83 115.26 108.33 1pve n ASN 59 Ca 0.21 -1.21 -0.32 0.00 -0.60 0.00 0.00 54.58 52.66 1pve n ASN 59 Cb 0.75 -0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.89 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 -2.04 2.52 0.21 1.20 0.41 -0.66 -5.09 118.70 115.25 1pve s GLU 60 Ca 0.41 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.93 1pve s GLU 60 Cb 0.21 -2.48 -0.09 0.00 -1.78 0.00 0.00 34.13 29.99 1pve s GLU 60 CO 0.36 0.60 1.27 -1.25 -0.49 0.00 0.00 175.26 175.75 1pve s PRO 61 N -1.46 4.42 0.10 0.39 0.04 -1.26 -4.92 135.00 132.30 1pve s PRO 61 Ca 0.17 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.34 1pve s PRO 61 Cb -0.11 -3.19 0.53 0.00 0.04 0.00 0.00 34.50 31.76 1pve s PRO 61 CO 0.08 -0.18 1.35 1.33 0.04 0.00 0.00 177.00 179.61 1pve n VAL 62 N 2.33 1.39 0.24 -0.36 0.24 -1.26 -2.04 118.33 118.87 1pve n VAL 62 Ca 0.05 0.44 0.18 0.00 -2.04 0.00 0.00 64.34 62.96 1pve n VAL 62 Cb 0.43 -1.36 0.81 0.00 -1.47 0.00 0.00 33.84 32.25 1pve n VAL 62 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1pve h GLN 63 N 0.00 0.00 -1.23 7.34 4.15 -1.94 0.79 115.11 124.22 1pve h GLN 63 Ca 0.00 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.78 1pve h GLN 63 Cb 0.12 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.71 1pve h GLN 63 CO 0.00 0.00 0.81 1.49 -1.93 0.00 0.00 178.83 179.20 1pve h GLU 64 N 0.00 0.18 0.00 1.69 4.81 -1.79 -3.36 114.58 116.11 1pve h GLU 64 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1pve h GLU 64 Cb 0.76 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1pve h GLU 64 CO -0.00 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.40 1pve n ALA 65 N -2.56 0.00 0.25 2.92 0.00 -0.21 -4.94 120.51 115.97 1pve n ALA 65 Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.85 1pve n ALA 65 Cb 1.22 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.33 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 0.00 0.00 0.00 -1.08 -3.48 103.07 98.51 1pve h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pve h GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pve n GLY 67 N -0.87 -2.63 0.00 4.60 0.00 -1.26 -5.03 105.19 100.00 1pve n GLY 67 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1pve n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pve n GLN 68 N -0.81 0.82 0.00 1.61 7.27 -1.26 -4.97 117.38 120.04 1pve n GLN 68 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1pve n GLN 68 Cb 0.00 -0.31 0.00 0.00 2.41 0.00 0.00 30.24 32.34 1pve n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pve n GLY 69 N 0.13 -0.17 0.00 1.69 0.00 -1.26 -5.21 105.19 100.38 1pve n GLY 69 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.74 0.71 -0.02 0.00 -1.26 -5.07 105.19 97.78 1pve n GLY 70 Ca 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.33 0.56 0.00 -0.02 0.00 -1.26 -5.32 105.19 98.83 1pve n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93