#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve s SER 2 N 0.00 3.06 0.00 1.61 0.01 -1.26 -5.04 113.70 112.08 1pve s SER 2 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1pve s SER 2 Cb 0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1pve s SER 2 CO 0.00 -2.88 0.06 0.00 0.41 0.00 0.00 173.24 170.83 1pve n HIS 3 N -4.03 0.00 -2.04 2.43 -0.00 -1.26 -4.92 115.22 105.40 1pve n HIS 3 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1pve n HIS 3 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 1pve n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pve n MET 4 N -0.06 0.00 -1.31 -1.40 -0.00 -1.26 -5.17 117.12 107.92 1pve n MET 4 Ca 0.00 -0.62 -0.30 0.00 -0.00 0.00 0.00 57.70 56.78 1pve n MET 4 Cb 0.14 -0.13 0.21 0.00 -0.00 0.00 0.00 33.22 33.43 1pve n MET 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1pve s PRO 5 N 0.00 -0.33 -1.62 3.17 0.04 -1.26 -4.36 135.00 130.64 1pve s PRO 5 Ca 0.03 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 1pve s PRO 5 Cb 0.03 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1pve s PRO 5 CO -0.01 -3.13 0.32 1.28 0.04 0.00 0.00 177.00 175.50 1pve n LEU 6 N -4.36 -2.33 0.27 -3.56 4.77 -1.26 -4.90 117.00 105.63 1pve n LEU 6 Ca 0.11 -0.16 0.18 0.00 -0.03 0.00 0.00 56.01 56.12 1pve n LEU 6 Cb 0.59 -2.90 0.92 0.00 -2.33 0.00 0.00 43.42 39.71 1pve n LEU 6 CO 0.49 0.03 1.15 -0.08 -1.33 0.00 0.00 177.39 177.65 1pve h GLU 7 N -0.73 0.00 -0.62 3.23 4.57 -2.04 -1.06 114.58 117.93 1pve h GLU 7 Ca -0.50 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 57.78 1pve h GLU 7 Cb 1.36 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 1pve h GLU 7 CO 0.56 0.00 0.41 0.35 -1.18 0.00 0.00 179.01 179.16 1pve h PHE 8 N 0.00 0.45 -0.45 0.92 3.57 -1.97 -2.87 116.94 116.58 1pve h PHE 8 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1pve h PHE 8 Cb 0.43 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1pve h PHE 8 CO 0.00 0.21 0.16 -0.07 -2.23 0.00 0.00 178.31 176.38 1pve h LEU 9 N 0.42 0.59 0.00 0.59 3.38 -1.58 -2.88 115.31 115.83 1pve h LEU 9 Ca 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pve h LEU 9 Cb 0.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pve h LEU 9 CO -0.08 0.55 0.00 0.54 0.09 0.00 0.00 178.44 179.54 1pve n ARG 10 N -4.35 0.49 0.00 1.13 3.00 -1.08 -2.05 116.66 113.80 1pve n ARG 10 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 1pve n ARG 10 Cb 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1pve n ARG 10 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1pve n ASN 11 N -0.87 0.79 -4.64 0.55 0.23 -1.09 -5.05 115.26 105.17 1pve n ASN 11 Ca 0.09 -0.91 -0.38 0.00 -0.53 0.00 0.00 54.58 52.85 1pve n ASN 11 Cb 0.04 0.18 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1pve s GLN 12 N -0.18 4.10 0.60 -3.83 -1.52 -0.87 -4.98 119.66 112.98 1pve s GLN 12 Ca 0.00 0.09 0.29 0.00 -1.95 0.00 0.00 55.36 53.79 1pve s GLN 12 Cb 0.00 -3.58 1.56 0.00 -0.22 0.00 0.00 33.01 30.77 1pve s GLN 12 CO 0.00 -0.12 1.98 -1.35 -0.25 0.00 0.00 175.29 175.54 1pve h PRO 13 N 7.70 0.00 -0.04 2.91 0.11 -1.97 -1.92 132.00 138.79 1pve h PRO 13 Ca -0.34 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 1pve h PRO 13 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1pve h PRO 13 CO 0.68 0.00 -0.45 1.96 -0.21 0.00 0.00 178.00 179.98 1pve h GLN 14 N 0.00 0.09 0.00 1.05 4.20 -1.93 -3.20 115.11 115.31 1pve h GLN 14 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1pve h GLN 14 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1pve h GLN 14 CO -0.00 0.53 0.00 0.35 -0.67 0.00 0.00 178.83 179.03 1pve h PHE 15 N 0.07 0.00 -0.00 2.96 3.57 -1.62 0.56 116.94 122.48 1pve h PHE 15 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pve h PHE 15 Cb 0.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1pve h PHE 15 CO 0.01 0.00 -0.02 1.04 -2.23 0.00 0.00 178.31 177.10 1pve n GLN 16 N -2.68 0.36 0.00 1.11 6.02 -1.21 -4.52 117.38 116.46 1pve n GLN 16 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1pve n GLN 16 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.30 0.00 0.09 -1.09 6.02 -0.39 -4.77 117.38 115.94 1pve n GLN 17 Ca 0.13 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.16 1pve n GLN 17 Cb 0.27 -0.26 0.46 0.00 1.02 0.00 0.00 30.24 31.73 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 0.35 -0.11 -1.09 -0.00 -1.20 -1.72 114.93 111.16 1pve h MET 18 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.57 1pve h MET 18 Cb 0.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1pve h MET 18 CO 0.00 0.29 -0.37 0.00 -0.00 0.00 0.00 176.91 176.82 1pve h ARG 19 N 0.35 0.22 -0.23 -0.10 3.08 -1.80 -2.63 114.38 113.27 1pve h ARG 19 Ca 0.09 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1pve h ARG 19 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1pve h ARG 19 CO -0.01 0.57 0.16 1.96 -1.07 0.00 0.00 179.97 181.58 1pve h GLN 20 N 0.19 0.26 -0.11 0.04 4.20 -1.61 -0.43 115.11 117.66 1pve h GLN 20 Ca 0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1pve h GLN 20 Cb 0.75 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1pve h GLN 20 CO 0.06 0.17 -0.10 0.82 -0.67 0.00 0.00 178.83 179.11 1pve h ILE 21 N 0.27 1.35 -0.11 2.54 2.04 -1.48 -3.28 117.51 118.85 1pve h ILE 21 Ca 0.09 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 1pve h ILE 21 Cb 0.03 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1pve h ILE 21 CO -0.02 0.35 -0.49 0.40 0.00 0.00 0.00 178.15 178.39 1pve h ILE 22 N -0.14 1.34 0.00 -0.67 1.08 -1.37 -0.04 117.51 117.70 1pve h ILE 22 Ca 0.02 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 1pve h ILE 22 Cb 0.61 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1pve h ILE 22 CO 0.03 0.52 0.00 0.00 -0.69 0.00 0.00 178.15 178.00 1pve n GLN 23 N -3.96 0.12 0.00 2.37 6.02 -0.21 -1.97 117.38 119.75 1pve n GLN 23 Ca -0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1pve n GLN 23 Cb 0.54 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.20 1.29 -3.68 -1.09 6.02 -0.99 -4.93 117.38 112.79 1pve n GLN 24 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.75 1pve n GLN 24 Cb 0.04 -0.82 -0.11 0.00 1.02 0.00 0.00 30.24 30.37 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 -2.93 3.37 0.59 1.08 -0.87 -0.06 -4.97 114.94 111.15 1pve s ASN 25 Ca 0.00 -3.51 0.36 0.00 -1.57 0.00 0.00 52.86 48.14 1pve s ASN 25 Cb 0.00 -1.12 1.85 0.00 -0.02 0.00 0.00 41.25 41.96 1pve s ASN 25 CO 0.00 -0.12 2.18 1.55 -2.57 0.00 0.00 177.10 178.14 1pve h PRO 26 N 5.51 0.00 0.00 -0.60 0.13 -1.64 -1.61 132.00 133.80 1pve h PRO 26 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1pve h PRO 26 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1pve h PRO 26 CO 0.57 0.03 0.15 0.66 -0.23 0.00 0.00 178.00 179.18 1pve h SER 27 N 0.00 0.00 -0.52 1.44 4.64 -1.93 -2.22 113.55 114.96 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 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 -2.71 3.61 -0.00 5.97 4.77 -0.60 -4.48 117.00 123.54 1pve n LEU 28 Ca -0.02 -1.74 -0.09 0.00 -0.03 0.00 0.00 56.01 54.13 1pve n LEU 28 Cb 0.20 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1pve n LEU 28 CO 0.14 0.84 0.76 0.25 -1.33 0.00 0.00 177.39 178.05 1pve h LEU 29 N 4.16 -0.47 -0.73 2.23 5.85 -1.55 -0.79 115.31 124.01 1pve h LEU 29 Ca 0.00 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1pve h LEU 29 Cb 0.96 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 1pve h LEU 29 CO 0.00 -0.20 0.16 -0.65 -0.34 0.00 0.00 178.44 177.41 1pve h PRO 30 N -0.19 0.25 0.00 5.25 0.11 -1.82 -1.14 132.00 134.45 1pve h PRO 30 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1pve h PRO 30 Cb 0.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1pve h PRO 30 CO -0.24 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 177.71 1pve n ALA 31 N -2.68 1.85 -0.12 -0.75 0.00 -0.84 -1.27 120.51 116.70 1pve n ALA 31 Ca 0.14 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1pve n ALA 31 Cb 0.45 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.36 2.94 -0.32 0.00 7.94 -0.36 -3.88 117.00 121.97 1pve n LEU 32 Ca 0.07 -0.13 0.02 0.00 -1.11 0.00 0.00 56.01 54.85 1pve n LEU 32 Cb 0.15 -0.83 0.16 0.00 0.53 0.00 0.00 43.42 43.43 1pve n LEU 32 CO 0.13 0.90 1.19 -0.07 -1.11 0.00 0.00 177.39 178.44 1pve h LEU 33 N 0.00 0.83 -1.31 -1.96 3.38 -1.07 0.74 115.31 115.92 1pve h LEU 33 Ca -0.54 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 1pve h LEU 33 Cb 1.84 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1pve h LEU 33 CO -0.08 0.51 -0.26 0.06 0.09 0.00 0.00 178.44 178.76 1pve h GLN 34 N 0.95 0.13 -0.03 1.13 3.07 -1.39 -1.12 115.11 117.86 1pve h GLN 34 Ca 0.39 -0.04 -0.23 0.00 0.09 0.00 0.00 58.65 58.86 1pve h GLN 34 Cb 0.23 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.79 1pve h GLN 34 CO -0.19 0.39 -0.92 1.96 0.09 0.00 0.00 178.83 180.16 1pve h GLN 35 N 0.12 0.52 -0.83 0.06 4.20 -1.25 -2.16 115.11 115.76 1pve h GLN 35 Ca 0.02 -0.52 0.04 0.00 0.06 0.00 0.00 58.65 58.25 1pve h GLN 35 Cb 0.53 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1pve h GLN 35 CO 0.04 1.15 0.53 0.82 -0.67 0.00 0.00 178.83 180.70 1pve h ILE 36 N 0.31 1.11 -0.13 2.54 2.04 -0.81 -1.62 117.51 120.95 1pve h ILE 36 Ca -0.08 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1pve h ILE 36 Cb 1.55 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1pve h ILE 36 CO 0.17 0.19 0.05 1.23 0.00 0.00 0.00 178.15 179.78 1pve h GLY 37 N 1.02 0.18 1.37 5.37 0.00 -0.96 0.22 103.07 110.26 1pve h GLY 37 Ca 0.34 -0.07 -0.25 0.00 0.00 0.00 0.00 47.33 47.34 1pve h GLY 37 CO -0.13 0.07 -1.00 3.21 0.00 0.00 0.00 176.54 178.69 1pve h ARG 38 N 0.17 0.57 0.06 4.80 2.47 -0.77 -3.27 114.38 118.41 1pve h ARG 38 Ca 0.04 -0.61 -0.36 0.00 -1.26 0.00 0.00 59.98 57.79 1pve h ARG 38 Cb 0.05 0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1pve h ARG 38 CO -0.00 1.23 -2.11 0.39 0.56 0.00 0.00 179.97 180.03 1pve n GLU 39 N -3.80 0.70 -3.06 0.04 1.02 -0.67 -4.78 120.64 110.09 1pve n GLU 39 Ca -0.09 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 1pve n GLU 39 Cb 0.86 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.59 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 -3.26 -1.53 0.33 1.62 3.02 0.73 -5.01 115.26 111.16 1pve n ASN 40 Ca -0.33 -2.77 0.19 0.00 -0.03 0.00 0.00 54.58 51.65 1pve n ASN 40 Cb 1.05 0.46 1.03 0.00 -0.61 0.00 0.00 39.78 41.71 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 4.75 0.00 0.02 3.52 0.13 -1.60 -0.66 132.00 138.17 1pve h PRO 41 Ca 0.09 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.01 1pve h PRO 41 Cb 0.98 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.12 1pve h PRO 41 CO 0.30 0.00 -0.81 1.96 -0.23 0.00 0.00 178.00 179.22 1pve h GLN 42 N 0.00 0.52 -0.17 0.86 4.20 -1.92 -1.84 115.11 116.77 1pve h GLN 42 Ca 0.01 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 1pve h GLN 42 Cb 0.30 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1pve h GLN 42 CO -0.00 1.21 -0.12 1.25 -0.67 0.00 0.00 178.83 180.50 1pve h LEU 43 N 0.07 0.25 0.17 1.46 5.85 -1.68 -2.26 115.31 119.17 1pve h LEU 43 Ca -0.11 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1pve h LEU 43 Cb 1.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1pve h LEU 43 CO 0.16 0.39 -0.08 0.25 -0.34 0.00 0.00 178.44 178.82 1pve h LEU 44 N 0.25 -0.20 -2.17 2.25 7.12 -1.12 0.26 115.31 121.70 1pve h LEU 44 Ca 0.05 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.83 1pve h LEU 44 Cb 0.36 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1pve h LEU 44 CO 0.02 0.21 0.16 1.56 -0.13 0.00 0.00 178.44 180.27 1pve h GLN 45 N -0.64 0.00 -0.01 1.25 4.20 -1.37 -0.14 115.11 118.39 1pve h GLN 45 Ca -0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1pve h GLN 45 Cb 0.47 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.26 1pve h GLN 45 CO 0.04 0.00 -0.27 1.96 -0.67 0.00 0.00 178.83 179.89 1pve h GLN 46 N 0.00 0.21 -0.93 1.46 4.20 -1.20 -3.15 115.11 115.70 1pve h GLN 46 Ca 0.08 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1pve h GLN 46 Cb 0.41 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 1pve h GLN 46 CO -0.00 0.91 0.59 0.82 -0.67 0.00 0.00 178.83 180.49 1pve h ILE 47 N -0.42 1.11 0.00 2.54 2.04 -0.30 -2.18 117.51 120.30 1pve h ILE 47 Ca -0.03 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1pve h ILE 47 Cb 1.00 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1pve h ILE 47 CO 0.05 0.20 -0.34 0.77 0.00 0.00 0.00 178.15 178.84 1pve h SER 48 N 1.12 0.00 0.81 1.72 4.64 -1.16 -0.16 113.55 120.51 1pve h SER 48 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1pve h SER 48 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1pve h SER 48 CO -0.15 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1pve n GLN 49 N -4.12 0.11 -1.35 4.77 6.02 -0.84 -3.79 117.38 118.18 1pve n GLN 49 Ca -0.02 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.27 1pve n GLN 49 Cb 0.38 -1.68 0.02 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.88 0.00 0.18 1.08 8.25 -0.82 -5.00 115.22 117.02 1pve n HIS 50 Ca 0.04 -0.48 0.04 0.00 -0.26 0.00 0.00 57.72 57.06 1pve n HIS 50 Cb 0.26 -0.14 0.44 0.00 1.12 0.00 0.00 29.99 31.67 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 0.88 0.10 -0.16 -0.41 4.15 -1.14 0.21 115.11 118.74 1pve h GLN 51 Ca -0.20 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1pve h GLN 51 Cb 1.81 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.48 1pve h GLN 51 CO 0.08 0.28 -0.05 1.05 -1.93 0.00 0.00 178.83 178.26 1pve h GLU 52 N 0.09 0.23 0.04 1.69 4.11 -1.92 -0.46 114.58 118.37 1pve h GLU 52 Ca 0.02 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.16 1pve h GLU 52 Cb 0.37 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1pve h GLU 52 CO 0.02 0.30 -1.21 0.45 0.07 0.00 0.00 179.01 178.65 1pve h HIS 53 N 0.23 0.15 -0.73 2.06 3.86 -1.37 -2.22 115.15 117.13 1pve h HIS 53 Ca 0.05 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1pve h HIS 53 Cb 0.25 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 1pve h HIS 53 CO 0.00 1.10 0.47 0.35 0.86 0.00 0.00 177.93 180.72 1pve h PHE 54 N 0.02 0.93 -0.59 2.45 3.57 -1.13 -0.53 116.94 121.65 1pve h PHE 54 Ca -0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1pve h PHE 54 Cb 1.87 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 1pve h PHE 54 CO 0.02 0.60 0.38 0.82 -2.23 0.00 0.00 178.31 177.90 1pve h ILE 55 N 0.99 1.16 -0.14 1.41 2.04 -1.03 0.14 117.51 122.08 1pve h ILE 55 Ca 0.27 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1pve h ILE 55 Cb -0.09 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1pve h ILE 55 CO -0.06 0.16 -0.02 1.56 0.00 0.00 0.00 178.15 179.79 1pve h GLN 56 N 0.81 0.26 -0.21 2.37 4.20 -1.02 -2.46 115.11 119.07 1pve h GLN 56 Ca 0.22 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1pve h GLN 56 Cb -0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1pve h GLN 56 CO -0.04 0.53 -0.06 0.52 -0.67 0.00 0.00 178.83 179.10 1pve h MET 57 N -0.03 0.32 -0.59 1.46 2.86 -0.69 -0.60 114.93 117.65 1pve h MET 57 Ca 0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1pve h MET 57 Cb 0.43 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1pve h MET 57 CO 0.01 0.40 0.32 -0.07 1.06 0.00 0.00 176.91 178.63 1pve h LEU 58 N 0.30 0.73 -0.04 1.22 3.38 -0.72 -2.89 115.31 117.29 1pve h LEU 58 Ca 0.07 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1pve h LEU 58 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1pve h LEU 58 CO 0.01 0.59 -0.75 0.78 0.09 0.00 0.00 178.44 179.16 1pve h ASN 59 N 0.83 0.00 -4.16 -0.43 2.35 -0.81 -3.45 115.58 109.90 1pve h ASN 59 Ca 0.21 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.43 1pve h ASN 59 Cb 0.03 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.53 1pve h ASN 59 CO -0.03 0.75 0.41 -1.61 -1.65 0.00 0.00 177.43 175.30 1pve s GLU 60 N -2.86 2.45 0.89 0.81 2.02 -0.32 -5.04 118.70 116.65 1pve s GLU 60 Ca 0.02 1.72 -0.12 0.00 0.02 0.00 0.00 54.97 56.61 1pve s GLU 60 Cb 0.09 -1.88 0.13 0.00 0.10 0.00 0.00 34.13 32.57 1pve s GLU 60 CO 0.78 -1.58 1.10 -1.25 0.02 0.00 0.00 175.26 174.33 1pve s PRO 61 N -3.80 1.28 0.00 0.39 0.04 -1.26 -4.96 135.00 126.69 1pve s PRO 61 Ca 0.74 0.67 0.22 0.00 0.04 0.00 0.00 61.00 62.67 1pve s PRO 61 Cb -0.28 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1pve s PRO 61 CO 0.42 -2.19 1.01 1.33 0.04 0.00 0.00 177.00 177.61 1pve n VAL 62 N -3.82 0.00 -3.76 -0.36 0.24 -1.26 -4.92 118.33 104.45 1pve n VAL 62 Ca 0.07 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.23 1pve n VAL 62 Cb 0.56 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.67 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 -3.00 0.59 -1.41 7.34 0.74 -1.26 -4.86 119.66 117.79 1pve s GLN 63 Ca 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 55.36 55.38 1pve s GLN 63 Cb 0.16 0.27 0.09 0.00 1.10 0.00 0.00 33.01 34.63 1pve s GLN 63 CO 0.83 -0.14 0.64 0.39 -0.55 0.00 0.00 175.29 176.46 1pve n GLU 64 N 1.75 -3.81 0.23 1.67 1.02 -1.26 -4.87 120.64 115.37 1pve n GLU 64 Ca -0.19 0.50 0.16 0.00 -0.02 0.00 0.00 57.16 57.61 1pve n GLU 64 Cb 0.56 -5.25 0.80 0.00 -0.02 0.00 0.00 31.44 27.53 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 0.96 1.00 -2.12 0.62 0.00 -1.93 -3.46 119.26 114.34 1pve h ALA 65 Ca -0.49 0.00 0.28 0.00 0.00 0.00 0.00 54.91 54.71 1pve h ALA 65 Cb 1.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1pve h ALA 65 CO 0.60 0.00 0.79 0.20 0.00 0.00 0.00 179.25 180.84 1pve s GLY 66 N -3.82 -0.12 0.00 0.00 0.00 -1.26 -5.04 107.32 97.08 1pve s GLY 66 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1pve s GLY 66 CO 0.33 3.47 0.00 0.61 0.00 0.00 0.00 173.10 177.51 1pve n GLY 67 N -0.75 0.39 0.27 0.20 0.00 -1.26 -4.92 105.19 99.11 1pve n GLY 67 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1pve n GLY 67 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pve h GLN 68 N 0.83 0.00 0.00 1.61 4.15 -1.96 -3.45 115.11 116.29 1pve h GLN 68 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pve h GLN 68 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1pve h GLN 68 CO 0.00 0.11 0.00 0.41 -1.93 0.00 0.00 178.83 177.42 1pve n GLY 69 N -0.44 0.50 2.93 2.39 0.00 -1.26 -5.03 105.19 104.27 1pve n GLY 69 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.50 0.00 -0.02 0.00 -1.26 -3.72 105.19 100.69 1pve n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.80 0.72 0.00 -0.02 0.00 -1.26 -5.19 105.19 97.64 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