#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 -4.06 -1.45 1.61 7.64 -1.26 -4.74 113.62 111.37 1pve n SER 2 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1pve n SER 2 Cb 0.00 -3.05 0.03 0.00 -1.01 0.00 0.00 64.21 60.18 1pve n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1pve n HIS 3 N -2.03 0.01 -1.75 1.43 8.25 -1.26 -5.12 115.22 114.74 1pve n HIS 3 Ca 0.00 -0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 56.48 1pve n HIS 3 Cb 0.33 -0.16 0.01 0.00 1.12 0.00 0.00 29.99 31.29 1pve n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1pve n MET 4 N 0.39 2.37 0.00 -0.41 2.00 -1.26 -4.91 117.12 115.29 1pve n MET 4 Ca 0.07 0.84 0.07 0.00 0.00 0.00 0.00 57.70 58.67 1pve n MET 4 Cb 1.12 -2.58 0.33 0.00 0.00 0.00 0.00 33.22 32.09 1pve n MET 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1pve n PRO 5 N 0.17 0.09 -0.13 0.03 -0.04 -1.26 -2.45 135.00 131.42 1pve n PRO 5 Ca 0.04 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1pve n PRO 5 Cb 0.40 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.41 2.70 0.23 1.53 4.77 -1.26 -4.75 117.00 118.81 1pve n LEU 6 Ca 0.05 -1.62 0.16 0.00 -0.03 0.00 0.00 56.01 54.56 1pve n LEU 6 Cb 0.14 -0.17 0.79 0.00 -2.33 0.00 0.00 43.42 41.86 1pve n LEU 6 CO 0.12 0.62 0.96 1.05 -1.33 0.00 0.00 177.39 178.82 1pve h GLU 7 N 2.42 0.00 0.00 3.23 -0.00 -1.86 -2.18 114.58 116.18 1pve h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1pve h GLU 7 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1pve h GLU 7 CO 0.00 0.00 0.05 0.27 -0.00 0.00 0.00 179.01 179.33 1pve h PHE 8 N 0.00 0.00 0.00 2.06 -5.15 -1.86 -2.08 116.94 109.91 1pve h PHE 8 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1pve h PHE 8 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 1pve h PHE 8 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.24 1pve h LEU 9 N 0.00 0.00 -1.84 2.10 3.38 -1.80 -3.41 115.31 113.74 1pve h LEU 9 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1pve h LEU 9 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pve h LEU 9 CO 0.00 0.00 0.46 0.08 0.09 0.00 0.00 178.44 179.07 1pve h ARG 10 N 0.00 0.00 -0.01 1.13 0.11 -1.61 -1.31 114.38 112.70 1pve h ARG 10 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pve h ARG 10 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1pve h ARG 10 CO 0.00 0.00 -0.15 0.09 0.10 0.00 0.00 179.97 180.01 1pve n ASN 11 N -3.27 1.21 -4.71 0.08 4.13 -1.26 -4.88 115.26 106.56 1pve n ASN 11 Ca 0.04 -1.11 -0.42 0.00 1.68 0.00 0.00 54.58 54.77 1pve n ASN 11 Cb 0.57 0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 39.18 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1pve s GLN 12 N -1.16 4.43 0.37 3.52 -0.21 -0.50 -4.95 119.66 121.17 1pve s GLN 12 Ca 0.08 1.77 0.14 0.00 0.02 0.00 0.00 55.36 57.37 1pve s GLN 12 Cb 0.07 -3.34 0.97 0.00 1.00 0.00 0.00 33.01 31.70 1pve s GLN 12 CO 0.20 -0.26 1.80 -1.35 -2.12 0.00 0.00 175.29 173.57 1pve h PRO 13 N 6.78 0.52 -0.07 2.91 0.11 -1.96 -0.86 132.00 139.42 1pve h PRO 13 Ca -0.42 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1pve h PRO 13 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1pve h PRO 13 CO 0.81 0.34 -0.76 1.96 -0.21 0.00 0.00 178.00 180.14 1pve h GLN 14 N 0.53 0.41 0.00 1.05 4.20 -1.96 -3.28 115.11 116.06 1pve h GLN 14 Ca 0.54 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1pve h GLN 14 Cb 1.17 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1pve h GLN 14 CO -0.28 1.00 -0.38 0.35 -0.67 0.00 0.00 178.83 178.85 1pve h PHE 15 N 0.27 0.00 0.00 2.96 3.57 -1.47 -0.26 116.94 122.02 1pve h PHE 15 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1pve h PHE 15 Cb 1.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1pve h PHE 15 CO 0.05 0.38 0.00 1.04 -2.23 0.00 0.00 178.31 177.54 1pve n GLN 16 N -3.62 0.34 0.00 1.11 1.13 -0.95 -4.21 117.38 111.18 1pve n GLN 16 Ca -0.01 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1pve n GLN 16 Cb 0.49 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1pve n GLN 16 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1pve n GLN 17 N -1.27 0.00 -0.15 -1.09 6.02 -0.77 -4.76 117.38 115.37 1pve n GLN 17 Ca 0.11 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.16 1pve n GLN 17 Cb 0.17 -0.67 0.37 0.00 1.02 0.00 0.00 30.24 31.12 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 0.70 -0.08 -1.09 -0.00 -1.25 -2.17 114.93 111.04 1pve h MET 18 Ca 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.55 1pve h MET 18 Cb 0.85 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 32.28 1pve h MET 18 CO 0.00 0.46 -0.41 0.00 -0.00 0.00 0.00 176.91 176.96 1pve h ARG 19 N 0.72 0.19 -0.01 -0.10 3.08 -1.83 -2.26 114.38 114.18 1pve h ARG 19 Ca 0.28 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1pve h ARG 19 Cb 0.20 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1pve h ARG 19 CO -0.09 0.57 -0.11 1.96 -1.07 0.00 0.00 179.97 181.24 1pve h GLN 20 N 0.16 0.01 -0.10 0.04 4.20 -1.69 -1.69 115.11 116.04 1pve h GLN 20 Ca 0.01 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1pve h GLN 20 Cb 0.80 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1pve h GLN 20 CO 0.06 0.12 -0.16 0.82 -0.67 0.00 0.00 178.83 179.01 1pve h ILE 21 N 0.01 1.39 -0.10 2.54 2.04 -1.40 -3.29 117.51 118.70 1pve h ILE 21 Ca 0.00 -1.41 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 1pve h ILE 21 Cb 0.21 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1pve h ILE 21 CO 0.01 0.40 -0.35 0.40 0.00 0.00 0.00 178.15 178.62 1pve h ILE 22 N -0.17 1.28 0.00 -0.67 1.08 -1.35 0.09 117.51 117.78 1pve h ILE 22 Ca 0.01 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1pve h ILE 22 Cb 0.72 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1pve h ILE 22 CO 0.04 0.40 0.00 0.00 -0.69 0.00 0.00 178.15 177.90 1pve n GLN 23 N -4.08 0.23 0.00 2.37 6.02 -0.66 -2.05 117.38 119.21 1pve n GLN 23 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1pve n GLN 23 Cb 0.43 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.08 1.13 -3.63 -1.09 6.02 -0.71 -4.94 117.38 113.07 1pve n GLN 24 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 1pve n GLN 24 Cb 0.04 -0.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.36 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 -3.09 3.08 0.59 1.08 -0.87 -0.06 -4.97 114.94 110.71 1pve s ASN 25 Ca 0.00 -3.20 0.36 0.00 -1.57 0.00 0.00 52.86 48.45 1pve s ASN 25 Cb 0.00 -0.96 1.84 0.00 -0.02 0.00 0.00 41.25 42.11 1pve s ASN 25 CO 0.00 -0.17 2.17 1.55 -2.57 0.00 0.00 177.10 178.09 1pve h PRO 26 N 5.84 0.00 0.00 -0.60 0.13 -1.66 -1.58 132.00 134.13 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 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1pve h PRO 26 CO 0.51 0.03 0.10 0.66 -0.23 0.00 0.00 178.00 179.06 1pve h SER 27 N 0.00 0.00 -0.46 1.44 4.64 -1.93 -2.20 113.55 115.04 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 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 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 -2.46 3.37 -0.04 5.97 4.77 -0.60 -4.45 117.00 123.56 1pve n LEU 28 Ca -0.02 -1.76 -0.08 0.00 -0.03 0.00 0.00 56.01 54.12 1pve n LEU 28 Cb 0.14 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1pve n LEU 28 CO 0.11 0.79 0.81 0.25 -1.33 0.00 0.00 177.39 178.03 1pve h LEU 29 N 3.57 -0.26 -0.68 2.23 5.85 -1.53 -0.87 115.31 123.63 1pve h LEU 29 Ca 0.00 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.94 1pve h LEU 29 Cb 0.88 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 1pve h LEU 29 CO 0.00 -0.10 0.10 -0.65 -0.34 0.00 0.00 178.44 177.45 1pve h PRO 30 N -0.03 0.19 0.00 5.25 0.11 -1.81 -1.02 132.00 134.69 1pve h PRO 30 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1pve h PRO 30 Cb 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1pve h PRO 30 CO -0.24 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.68 1pve n ALA 31 N -2.73 1.75 -0.13 -0.75 0.00 -0.93 -1.12 120.51 116.60 1pve n ALA 31 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1pve n ALA 31 Cb 0.41 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.43 2.94 -0.31 0.00 7.94 -0.38 -3.53 117.00 122.24 1pve n LEU 32 Ca 0.05 -0.12 0.04 0.00 -1.11 0.00 0.00 56.01 54.87 1pve n LEU 32 Cb 0.16 -0.89 0.19 0.00 0.53 0.00 0.00 43.42 43.40 1pve n LEU 32 CO 0.13 0.92 1.16 -0.07 -1.11 0.00 0.00 177.39 178.42 1pve h LEU 33 N -0.04 0.73 -1.35 -1.96 3.38 -1.16 0.36 115.31 115.28 1pve h LEU 33 Ca -0.58 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.46 1pve h LEU 33 Cb 1.87 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1pve h LEU 33 CO -0.10 0.41 0.45 -0.61 0.09 0.00 0.00 178.44 178.67 1pve h GLN 34 N 0.84 0.86 0.08 1.13 5.75 -1.30 -0.56 115.11 121.91 1pve h GLN 34 Ca 0.43 -0.05 -0.26 0.00 -0.15 0.00 0.00 58.65 58.61 1pve h GLN 34 Cb 0.40 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.77 1pve h GLN 34 CO -0.26 0.57 -1.13 1.96 -2.65 0.00 0.00 178.83 177.33 1pve h GLN 35 N 0.89 0.38 -0.84 1.69 4.20 -1.17 -2.21 115.11 118.06 1pve h GLN 35 Ca 0.25 -0.52 0.03 0.00 0.06 0.00 0.00 58.65 58.47 1pve h GLN 35 Cb -0.07 0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1pve h GLN 35 CO -0.06 1.20 0.54 0.82 -0.67 0.00 0.00 178.83 180.66 1pve h ILE 36 N 0.17 1.15 0.00 2.54 2.04 -0.90 -2.22 117.51 120.28 1pve h ILE 36 Ca -0.12 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1pve h ILE 36 Cb 1.81 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1pve h ILE 36 CO 0.19 0.20 -0.07 1.23 0.00 0.00 0.00 178.15 179.70 1pve h GLY 37 N 1.07 0.00 0.71 5.37 0.00 -0.90 0.22 103.07 109.54 1pve h GLY 37 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 1pve h GLY 37 CO -0.10 0.00 -0.40 3.21 0.00 0.00 0.00 176.54 179.24 1pve h ARG 38 N 0.00 0.36 0.02 4.80 2.47 -0.86 -3.28 114.38 117.89 1pve h ARG 38 Ca -0.00 -0.32 -0.32 0.00 -1.26 0.00 0.00 59.98 58.08 1pve h ARG 38 Cb 0.13 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.48 1pve h ARG 38 CO 0.01 0.98 -1.86 0.39 0.56 0.00 0.00 179.97 180.05 1pve n GLU 39 N -4.36 0.66 -2.99 0.04 1.02 -0.89 -4.74 120.64 109.37 1pve n GLU 39 Ca -0.09 0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 1pve n GLU 39 Cb 0.56 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.07 -0.85 0.26 1.62 4.13 0.77 -5.00 115.26 113.12 1pve n ASN 40 Ca -0.22 -3.14 0.18 0.00 1.68 0.00 0.00 54.58 53.08 1pve n ASN 40 Cb 1.06 0.46 0.87 0.00 -1.54 0.00 0.00 39.78 40.64 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 3.49 0.00 0.11 3.52 0.13 -1.60 -0.31 132.00 137.34 1pve h PRO 41 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.84 1pve h PRO 41 Cb 0.99 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.14 1pve h PRO 41 CO 0.37 0.00 -1.16 1.96 -0.23 0.00 0.00 178.00 178.94 1pve h GLN 42 N 0.00 0.60 -0.05 0.86 7.50 -1.92 -1.53 115.11 120.57 1pve h GLN 42 Ca 0.06 -0.79 -0.06 0.00 0.50 0.00 0.00 58.65 58.36 1pve h GLN 42 Cb 0.61 0.26 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1pve h GLN 42 CO -0.00 1.35 -0.25 1.25 -1.50 0.00 0.00 178.83 179.68 1pve h LEU 43 N 0.22 0.09 0.19 1.46 5.85 -1.66 -2.78 115.31 118.67 1pve h LEU 43 Ca -0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1pve h LEU 43 Cb 1.84 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1pve h LEU 43 CO 0.22 0.34 -0.09 0.25 -0.34 0.00 0.00 178.44 178.83 1pve h LEU 44 N 0.08 -0.21 -2.00 2.25 7.12 -0.91 0.71 115.31 122.34 1pve h LEU 44 Ca 0.01 -0.30 0.16 0.00 0.13 0.00 0.00 57.88 57.89 1pve h LEU 44 Cb 0.49 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 1pve h LEU 44 CO 0.04 0.24 0.42 1.56 -0.13 0.00 0.00 178.44 180.56 1pve h GLN 45 N -0.72 0.00 0.11 1.25 1.08 -1.36 0.16 115.11 115.63 1pve h GLN 45 Ca -0.03 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.94 1pve h GLN 45 Cb 0.50 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1pve h GLN 45 CO 0.04 0.00 -0.99 1.96 -0.95 0.00 0.00 178.83 178.90 1pve h GLN 46 N 0.00 0.47 -0.71 1.46 4.20 -1.25 -3.16 115.11 116.13 1pve h GLN 46 Ca 0.27 -0.66 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 1pve h GLN 46 Cb 1.11 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 1pve h GLN 46 CO -0.00 1.28 0.20 0.82 -0.67 0.00 0.00 178.83 180.45 1pve h ILE 47 N -0.01 1.26 -0.12 2.54 2.04 -0.20 -3.00 117.51 120.02 1pve h ILE 47 Ca -0.15 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 1pve h ILE 47 Cb 1.72 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1pve h ILE 47 CO 0.19 0.36 -0.32 0.77 0.00 0.00 0.00 178.15 179.15 1pve h SER 48 N 1.07 0.23 0.43 1.72 4.64 -1.12 -0.55 113.55 119.97 1pve h SER 48 Ca 0.23 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1pve h SER 48 Cb 0.34 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pve h SER 48 CO -0.00 0.55 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1pve n GLN 49 N -4.10 0.06 -1.06 4.77 6.02 -1.14 -3.60 117.38 118.33 1pve n GLN 49 Ca -0.01 0.37 0.02 0.00 -0.01 0.00 0.00 57.00 57.37 1pve n GLN 49 Cb 0.41 -1.63 0.02 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.74 0.00 0.28 1.08 8.25 -0.64 -4.98 115.22 117.47 1pve n HIS 50 Ca 0.02 -0.31 0.16 0.00 -0.26 0.00 0.00 57.72 57.33 1pve n HIS 50 Cb 0.14 -0.11 0.82 0.00 1.12 0.00 0.00 29.99 31.96 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 0.58 0.00 -0.63 -0.41 4.15 -1.20 -0.41 115.11 117.18 1pve h GLN 51 Ca -0.13 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1pve h GLN 51 Cb 1.67 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.33 1pve h GLN 51 CO 0.06 0.07 0.24 0.93 -1.93 0.00 0.00 178.83 178.19 1pve h GLU 52 N 0.00 0.96 -0.06 1.69 5.08 -1.91 -0.71 114.58 119.63 1pve h GLU 52 Ca -0.00 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1pve h GLU 52 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pve h GLU 52 CO 0.01 0.82 -0.62 0.45 -1.00 0.00 0.00 179.01 178.66 1pve h HIS 53 N 0.90 0.29 -0.12 4.33 3.86 -1.48 -1.16 115.15 121.76 1pve h HIS 53 Ca 0.21 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1pve h HIS 53 Cb 0.23 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1pve h HIS 53 CO 0.01 0.79 -0.01 0.35 0.86 0.00 0.00 177.93 179.94 1pve h PHE 54 N 0.16 -0.02 -0.84 2.45 3.57 -1.26 -1.39 116.94 119.63 1pve h PHE 54 Ca -0.01 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1pve h PHE 54 Cb 1.14 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1pve h PHE 54 CO 0.02 -0.02 0.52 0.82 -2.23 0.00 0.00 178.31 177.42 1pve h ILE 55 N 0.04 1.07 -0.81 1.41 2.04 -0.91 0.14 117.51 120.48 1pve h ILE 55 Ca 0.06 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1pve h ILE 55 Cb 0.07 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 1pve h ILE 55 CO -0.10 0.18 0.47 1.56 0.00 0.00 0.00 178.15 180.26 1pve h GLN 56 N 0.98 1.12 0.00 2.37 4.20 -0.94 -2.16 115.11 120.68 1pve h GLN 56 Ca 0.35 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1pve h GLN 56 Cb 0.11 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1pve h GLN 56 CO -0.15 0.81 -0.80 0.52 -0.67 0.00 0.00 178.83 178.54 1pve h MET 57 N 1.12 0.00 -0.26 1.46 2.86 -0.84 -3.31 114.93 115.96 1pve h MET 57 Ca 0.29 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.84 1pve h MET 57 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1pve h MET 57 CO -0.05 0.80 -0.21 -0.07 1.06 0.00 0.00 176.91 178.44 1pve h LEU 58 N 0.00 0.47 -3.85 1.22 3.38 -0.48 -3.35 115.31 112.70 1pve h LEU 58 Ca -0.01 -0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.44 1pve h LEU 58 Cb 1.44 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.84 1pve h LEU 58 CO 0.10 0.69 0.47 -3.20 0.09 0.00 0.00 178.44 176.60 1pve n ASN 59 N -4.15 4.26 -3.90 -0.43 5.15 -0.83 -4.70 115.26 110.66 1pve n ASN 59 Ca -0.00 -3.40 -0.09 0.00 -0.60 0.00 0.00 54.58 50.49 1pve n ASN 59 Cb 0.38 -0.79 -0.08 0.00 -0.53 0.00 0.00 39.78 38.75 1pve n ASN 59 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1pve s GLU 60 N -3.11 0.77 0.26 1.20 -1.05 -1.26 -5.06 118.70 110.45 1pve s GLU 60 Ca 0.55 -0.94 -0.31 0.00 -0.15 0.00 0.00 54.97 54.13 1pve s GLU 60 Cb 0.46 0.31 -0.13 0.00 -0.44 0.00 0.00 34.13 34.32 1pve s GLU 60 CO 0.12 -0.23 1.37 -2.30 0.95 0.00 0.00 175.26 175.17 1pve n PRO 61 N 0.12 2.01 0.26 -4.83 -0.02 -1.26 -4.91 135.00 126.38 1pve n PRO 61 Ca -0.16 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 1pve n PRO 61 Cb 0.61 -2.35 0.69 0.00 -0.02 0.00 0.00 33.50 32.44 1pve n PRO 61 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1pve h VAL 62 N 2.92 0.00 -3.55 -1.45 -1.51 -1.93 -3.46 116.25 107.27 1pve h VAL 62 Ca -0.45 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 64.53 1pve h VAL 62 Cb 1.28 1.42 -0.08 0.00 -2.13 0.00 0.00 31.29 31.78 1pve h VAL 62 CO 0.73 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 177.00 1pve s GLN 63 N -3.65 1.59 0.00 5.19 -2.07 -1.26 -4.99 119.66 114.47 1pve s GLN 63 Ca 0.01 -1.22 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 1pve s GLN 63 Cb 0.09 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1pve s GLN 63 CO 0.52 -0.67 0.19 0.39 -1.32 0.00 0.00 175.29 174.40 1pve n GLU 64 N -0.40 0.99 0.26 9.60 1.02 -1.26 -4.79 120.64 126.06 1pve n GLU 64 Ca -0.02 -0.19 0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1pve n GLU 64 Cb 0.61 -0.62 0.66 0.00 -0.02 0.00 0.00 31.44 32.07 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pve h ALA 65 N 0.00 1.07 0.00 0.62 0.00 -2.02 -3.47 119.26 115.46 1pve h ALA 65 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pve h ALA 65 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pve h ALA 65 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1pve n GLY 66 N -0.18 1.16 1.01 0.00 0.00 -1.26 -5.09 105.19 100.83 1pve n GLY 66 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 1pve n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 67 N -0.47 0.14 3.51 -0.02 0.00 -1.26 -4.92 105.19 102.17 1pve n GLY 67 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1pve n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pve s GLN 68 N 0.01 1.65 -0.02 1.61 -2.07 -1.26 -5.10 119.66 114.48 1pve s GLN 68 Ca 0.01 -1.48 0.13 0.00 -1.82 0.00 0.00 55.36 52.20 1pve s GLN 68 Cb 0.04 0.44 0.23 0.00 -1.09 0.00 0.00 33.01 32.63 1pve s GLN 68 CO -0.01 -0.68 1.10 0.41 -1.32 0.00 0.00 175.29 174.79 1pve n GLY 69 N -0.43 1.31 0.81 2.60 0.00 -1.26 -4.86 105.19 103.35 1pve n GLY 69 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 0.04 0.74 0.00 -0.02 0.00 -1.26 -5.15 105.19 99.54 1pve n GLY 70 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.51 0.00 -0.02 0.00 -1.26 -5.30 105.19 97.14 1pve n GLY 71 Ca -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93