#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 5.15 0.00 1.61 0.01 -1.26 -4.69 113.70 114.52 1pve s SER 2 Ca 0.00 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1pve s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1pve s SER 2 CO 0.00 -2.70 0.29 1.41 0.41 0.00 0.00 173.24 172.65 1pve n HIS 3 N 13.82 0.00 -3.88 2.43 8.25 -1.26 -5.06 115.22 129.53 1pve n HIS 3 Ca 0.37 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.73 1pve n HIS 3 Cb 0.48 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.15 0.56 0.90 -0.41 1.00 -1.26 -5.18 119.30 114.75 1pve s MET 4 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 55.69 55.03 1pve s MET 4 Cb 0.00 0.23 0.13 0.00 0.00 0.00 0.00 34.83 35.19 1pve s MET 4 CO 0.00 -0.14 1.10 -1.25 0.00 0.00 0.00 175.02 174.72 1pve s PRO 5 N -1.96 1.27 -1.38 2.03 0.04 -1.26 -4.23 135.00 129.51 1pve s PRO 5 Ca -0.10 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1pve s PRO 5 Cb -0.04 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pve s PRO 5 CO -0.01 -2.20 0.00 1.28 0.04 0.00 0.00 177.00 176.11 1pve n LEU 6 N -3.84 -1.50 0.29 -3.56 4.77 -1.26 -4.88 117.00 107.02 1pve n LEU 6 Ca 0.07 0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.32 1pve n LEU 6 Cb 0.56 -2.50 0.88 0.00 -2.33 0.00 0.00 43.42 40.03 1pve n LEU 6 CO 0.56 -0.17 1.15 1.05 -1.33 0.00 0.00 177.39 178.65 1pve h GLU 7 N 0.00 0.00 -0.37 3.23 4.11 -2.02 -1.45 114.58 118.09 1pve h GLU 7 Ca -0.38 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.14 1pve h GLU 7 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1pve h GLU 7 CO 0.45 0.00 0.26 0.74 0.07 0.00 0.00 179.01 180.53 1pve h PHE 8 N 0.00 0.06 -0.12 2.06 0.04 -1.96 -2.14 116.94 114.88 1pve h PHE 8 Ca 0.03 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1pve h PHE 8 Cb 0.59 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1pve h PHE 8 CO 0.00 0.03 -0.52 -0.07 -0.60 0.00 0.00 178.31 177.15 1pve h LEU 9 N 0.05 0.37 0.00 1.54 3.38 -1.65 -2.99 115.31 116.02 1pve h LEU 9 Ca 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pve h LEU 9 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1pve h LEU 9 CO -0.01 0.83 0.00 0.54 0.09 0.00 0.00 178.44 179.88 1pve n ARG 10 N -3.95 0.80 -0.51 1.13 5.12 -0.81 -3.57 116.66 114.87 1pve n ARG 10 Ca -0.02 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.94 1pve n ARG 10 Cb 0.57 -1.36 0.06 0.00 -1.16 0.00 0.00 32.46 30.57 1pve n ARG 10 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1pve n ASN 11 N -0.86 0.98 -3.92 0.55 3.02 -1.13 -5.07 115.26 108.84 1pve n ASN 11 Ca 0.14 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.10 1pve n ASN 11 Cb 0.06 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.82 1pve n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pve s GLN 12 N -1.14 0.37 0.44 3.52 -2.07 -1.23 -5.05 119.66 114.50 1pve s GLN 12 Ca 0.17 -0.45 0.25 0.00 -1.82 0.00 0.00 55.36 53.51 1pve s GLN 12 Cb 0.17 0.15 0.83 0.00 -1.09 0.00 0.00 33.01 33.06 1pve s GLN 12 CO -0.02 -0.08 1.78 -1.00 -1.32 0.00 0.00 175.29 174.66 1pve h PRO 13 N 4.59 0.00 0.00 9.60 0.13 -1.95 -3.27 132.00 141.10 1pve h PRO 13 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1pve h PRO 13 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1pve h PRO 13 CO 0.41 0.18 -0.17 1.96 -0.23 0.00 0.00 178.00 180.15 1pve h GLN 14 N 0.00 0.00 0.00 0.86 1.08 -1.97 -1.29 115.11 113.78 1pve h GLN 14 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pve h GLN 14 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1pve h GLN 14 CO 0.02 0.17 0.00 0.34 -0.95 0.00 0.00 178.83 178.42 1pve n PHE 15 N -4.02 0.00 -1.26 2.96 7.35 -1.23 -1.02 117.46 120.24 1pve n PHE 15 Ca -0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.75 1pve n PHE 15 Cb 0.25 -0.36 0.17 0.00 0.35 0.00 0.00 39.48 39.89 1pve n PHE 15 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1pve n GLN 16 N -1.36 1.50 0.00 -4.13 1.13 -0.49 -4.52 117.38 109.51 1pve n GLN 16 Ca 0.04 -2.86 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 1pve n GLN 16 Cb 0.09 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.86 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 0.06 -1.09 6.02 -0.47 -4.93 117.38 115.70 1pve n GLN 17 Ca 0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.11 1pve n GLN 17 Cb 0.69 -0.52 0.12 0.00 1.02 0.00 0.00 30.24 31.54 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 -0.14 -1.09 -0.00 -1.35 -3.25 114.93 109.46 1pve h MET 18 Ca 0.00 -0.22 -0.12 0.00 -0.00 0.00 0.00 59.70 59.36 1pve h MET 18 Cb 0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.86 1pve h MET 18 CO 0.00 0.81 -0.45 0.00 -0.00 0.00 0.00 176.91 177.27 1pve h ARG 19 N 0.27 0.33 -0.49 -0.10 3.08 -1.79 -2.13 114.38 113.55 1pve h ARG 19 Ca 0.00 -0.18 0.11 0.00 0.07 0.00 0.00 59.98 59.99 1pve h ARG 19 Cb 1.05 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1pve h ARG 19 CO 0.09 0.72 0.34 1.96 -1.07 0.00 0.00 179.97 182.01 1pve h GLN 20 N 0.27 0.15 -0.13 0.04 7.50 -1.91 0.20 115.11 121.22 1pve h GLN 20 Ca 0.02 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.04 1pve h GLN 20 Cb 0.91 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.41 1pve h GLN 20 CO 0.07 0.10 -0.39 0.82 -1.50 0.00 0.00 178.83 177.93 1pve h ILE 21 N 0.15 1.36 -0.02 2.54 2.04 -1.50 -3.32 117.51 118.77 1pve h ILE 21 Ca 0.23 -1.68 -0.19 0.00 1.00 0.00 0.00 64.86 64.22 1pve h ILE 21 Cb 0.71 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1pve h ILE 21 CO -0.03 0.50 -0.81 0.40 0.00 0.00 0.00 178.15 178.22 1pve h ILE 22 N 0.11 1.45 0.00 -0.67 1.08 -1.26 -0.27 117.51 117.95 1pve h ILE 22 Ca -0.01 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1pve h ILE 22 Cb 1.01 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1pve h ILE 22 CO 0.08 0.71 0.00 0.00 -0.69 0.00 0.00 178.15 178.25 1pve n GLN 23 N -3.74 0.12 0.00 2.37 1.13 -0.00 -2.03 117.38 115.23 1pve n GLN 23 Ca -0.04 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1pve n GLN 23 Cb 0.76 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.61 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1pve n GLN 24 N -1.21 1.22 -3.68 -1.09 6.02 -1.10 -4.94 117.38 112.60 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 -0.87 -0.11 0.00 1.02 0.00 0.00 30.24 30.32 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 -3.23 3.34 0.60 1.08 -0.87 -0.13 -4.96 114.94 110.77 1pve s ASN 25 Ca 0.00 -3.41 0.37 0.00 -1.57 0.00 0.00 52.86 48.25 1pve s ASN 25 Cb 0.00 -1.09 1.88 0.00 -0.02 0.00 0.00 41.25 42.01 1pve s ASN 25 CO 0.00 -0.14 2.19 1.55 -2.57 0.00 0.00 177.10 178.13 1pve h PRO 26 N 5.64 0.00 0.00 -0.60 0.13 -1.65 -1.56 132.00 133.95 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1pve h PRO 26 CO 0.55 0.03 0.12 0.66 -0.23 0.00 0.00 178.00 179.13 1pve h SER 27 N 0.00 0.00 -0.38 1.44 4.64 -1.93 -2.12 113.55 115.20 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 -2.56 3.30 -0.10 5.97 4.77 -0.59 -4.44 117.00 123.36 1pve n LEU 28 Ca -0.02 -1.57 -0.06 0.00 -0.03 0.00 0.00 56.01 54.34 1pve n LEU 28 Cb 0.17 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1pve n LEU 28 CO 0.12 0.73 0.88 0.25 -1.33 0.00 0.00 177.39 178.05 1pve h LEU 29 N 3.92 -0.05 -0.57 2.23 5.85 -1.52 -0.84 115.31 124.33 1pve h LEU 29 Ca 0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1pve h LEU 29 Cb 0.91 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.93 1pve h LEU 29 CO 0.00 0.01 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.42 1pve h PRO 30 N 0.15 0.08 0.00 5.25 0.11 -1.81 -1.39 132.00 134.39 1pve h PRO 30 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1pve h PRO 30 Cb 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1pve h PRO 30 CO -0.24 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 177.61 1pve n ALA 31 N -2.82 1.49 -0.10 -0.75 0.00 -0.87 -1.03 120.51 116.43 1pve n ALA 31 Ca 0.07 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1pve n ALA 31 Cb 0.32 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.81 2.82 -0.22 0.00 7.94 -0.37 -3.20 117.00 122.15 1pve n LEU 32 Ca 0.02 -0.05 -0.01 0.00 -1.11 0.00 0.00 56.01 54.86 1pve n LEU 32 Cb 0.15 -0.92 0.10 0.00 0.53 0.00 0.00 43.42 43.28 1pve n LEU 32 CO 0.13 0.91 1.07 -0.07 -1.11 0.00 0.00 177.39 178.31 1pve h LEU 33 N 0.02 0.48 -1.82 -1.96 3.38 -1.08 0.10 115.31 114.44 1pve h LEU 33 Ca -0.54 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1pve h LEU 33 Cb 1.94 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1pve h LEU 33 CO -0.04 0.30 0.13 1.56 0.09 0.00 0.00 178.44 180.48 1pve h GLN 34 N 0.62 0.24 0.14 1.13 4.20 -1.24 -1.15 115.11 119.05 1pve h GLN 34 Ca 0.31 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 34 Cb 0.25 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 28.00 1pve h GLN 34 CO -0.21 0.16 -1.21 0.37 -0.67 0.00 0.00 178.83 177.27 1pve h GLN 35 N 0.25 0.57 -0.99 1.46 5.75 -1.15 -3.01 115.11 117.99 1pve h GLN 35 Ca 0.08 -0.80 0.09 0.00 -0.15 0.00 0.00 58.65 57.87 1pve h GLN 35 Cb 0.00 0.27 -0.08 0.00 1.07 0.00 0.00 27.48 28.75 1pve h GLN 35 CO -0.02 1.36 0.62 0.82 -2.65 0.00 0.00 178.83 178.97 1pve h ILE 36 N 0.16 1.00 0.00 2.39 2.04 -0.88 -1.29 117.51 120.93 1pve h ILE 36 Ca -0.19 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1pve h ILE 36 Cb 1.90 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1pve h ILE 36 CO 0.23 0.19 0.00 1.23 0.00 0.00 0.00 178.15 179.80 1pve h GLY 37 N 1.06 0.00 0.68 5.37 0.00 -1.09 0.21 103.07 109.30 1pve h GLY 37 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.49 1pve h GLY 37 CO -0.22 0.00 -1.51 3.21 0.00 0.00 0.00 176.54 178.02 1pve h ARG 38 N 0.00 0.30 0.00 4.80 3.08 -1.12 -3.35 114.38 118.09 1pve h ARG 38 Ca 0.00 -0.51 -0.20 0.00 0.07 0.00 0.00 59.98 59.34 1pve h ARG 38 Cb 0.09 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1pve h ARG 38 CO 0.00 1.24 -2.12 0.39 -1.07 0.00 0.00 179.97 178.42 1pve n GLU 39 N -3.82 0.67 -3.04 0.04 1.02 -1.07 -4.72 120.64 109.72 1pve n GLU 39 Ca -0.25 -0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 56.69 1pve n GLU 39 Cb 0.96 -1.56 0.01 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.58 -0.28 0.30 1.62 4.13 0.74 -5.00 115.26 114.18 1pve n ASN 40 Ca -0.19 -3.21 0.19 0.00 1.68 0.00 0.00 54.58 53.05 1pve n ASN 40 Cb 0.89 0.23 0.99 0.00 -1.54 0.00 0.00 39.78 40.35 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 3.09 0.00 0.04 3.52 0.13 -1.68 -0.66 132.00 136.44 1pve h PRO 41 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1pve h PRO 41 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1pve h PRO 41 CO 0.38 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 180.09 1pve h GLN 42 N 0.00 -0.05 -0.24 0.86 4.20 -1.93 -2.36 115.11 115.59 1pve h GLN 42 Ca 0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1pve h GLN 42 Cb 0.30 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1pve h GLN 42 CO -0.00 0.55 0.17 1.25 -0.67 0.00 0.00 178.83 180.12 1pve h LEU 43 N -0.69 0.19 0.19 1.46 5.85 -1.66 -0.84 115.31 119.82 1pve h LEU 43 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pve h LEU 43 Cb 0.62 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1pve h LEU 43 CO 0.01 0.14 -0.09 0.25 -0.34 0.00 0.00 178.44 178.40 1pve h LEU 44 N 0.23 -0.21 -1.34 2.25 7.12 -1.18 0.39 115.31 122.56 1pve h LEU 44 Ca 0.10 -0.25 0.12 0.00 0.13 0.00 0.00 57.88 57.97 1pve h LEU 44 Cb 0.12 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.25 1pve h LEU 44 CO -0.02 0.16 0.54 1.56 -0.13 0.00 0.00 178.44 180.55 1pve h GLN 45 N -0.62 0.67 -0.20 1.25 4.20 -1.16 0.62 115.11 119.86 1pve h GLN 45 Ca -0.03 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1pve h GLN 45 Cb 0.46 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1pve h GLN 45 CO 0.04 0.44 -0.44 1.96 -0.67 0.00 0.00 178.83 180.16 1pve h GLN 46 N 0.69 0.65 -0.90 1.46 7.50 -1.01 -2.40 115.11 121.11 1pve h GLN 46 Ca 0.40 -0.43 0.04 0.00 0.50 0.00 0.00 58.65 59.15 1pve h GLN 46 Cb 0.58 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.12 1pve h GLN 46 CO -0.16 1.05 0.58 0.82 -1.50 0.00 0.00 178.83 179.62 1pve h ILE 47 N 0.34 1.14 -0.33 2.54 2.04 -0.54 -2.63 117.51 120.07 1pve h ILE 47 Ca 0.00 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1pve h ILE 47 Cb 1.05 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1pve h ILE 47 CO 0.10 0.20 0.04 0.28 0.00 0.00 0.00 178.15 178.77 1pve h SER 48 N 1.12 0.46 0.66 1.72 0.02 -0.81 -0.18 113.55 116.55 1pve h SER 48 Ca 0.36 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1pve h SER 48 Cb 0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1pve h SER 48 CO -0.12 0.51 0.00 0.00 -1.14 0.00 0.00 176.83 176.08 1pve n GLN 49 N -4.31 0.00 -1.11 3.45 6.02 -0.91 -3.93 117.38 116.59 1pve n GLN 49 Ca 0.02 0.17 0.02 0.00 -0.01 0.00 0.00 57.00 57.20 1pve n GLN 49 Cb 0.21 -1.50 0.01 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 -1.50 0.00 0.00 1.08 8.25 -0.57 -5.00 115.22 117.48 1pve n HIS 50 Ca 0.05 -0.31 0.04 0.00 -0.26 0.00 0.00 57.72 57.24 1pve n HIS 50 Cb 0.22 -0.09 0.42 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 0.59 0.53 -0.62 -0.41 4.15 -1.20 0.07 115.11 118.24 1pve h GLN 51 Ca -0.15 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 1pve h GLN 51 Cb 1.69 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 29.24 1pve h GLN 51 CO 0.05 0.36 0.13 1.05 -1.93 0.00 0.00 178.83 178.49 1pve h GLU 52 N 0.55 0.98 -0.22 1.69 4.11 -1.93 -1.22 114.58 118.54 1pve h GLU 52 Ca 0.15 -0.23 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 1pve h GLU 52 Cb -0.06 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1pve h GLU 52 CO -0.03 0.88 -0.55 0.45 0.07 0.00 0.00 179.01 179.83 1pve h HIS 53 N 0.93 0.86 0.06 2.06 3.86 -1.42 -2.48 115.15 119.02 1pve h HIS 53 Ca 0.20 -0.31 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1pve h HIS 53 Cb 0.36 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1pve h HIS 53 CO 0.02 1.08 -0.08 0.35 0.86 0.00 0.00 177.93 180.16 1pve h PHE 54 N 0.52 -0.22 -0.93 2.45 3.57 -1.05 -2.76 116.94 118.52 1pve h PHE 54 Ca 0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1pve h PHE 54 Cb 1.13 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1pve h PHE 54 CO 0.06 -0.13 0.61 0.82 -2.23 0.00 0.00 178.31 177.43 1pve h ILE 55 N -0.18 1.14 0.00 1.41 2.04 -1.20 0.13 117.51 120.84 1pve h ILE 55 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1pve h ILE 55 Cb 0.18 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1pve h ILE 55 CO -0.04 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1pve n GLN 56 N -4.46 0.73 -0.04 2.37 1.13 -0.94 -1.11 117.38 115.06 1pve n GLN 56 Ca 0.13 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.14 1pve n GLN 56 Cb 0.13 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 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 -0.84 0.80 -0.31 -1.09 2.81 -0.37 -4.68 117.12 113.43 1pve n MET 57 Ca 0.12 0.03 0.03 0.00 -1.81 0.00 0.00 57.70 56.07 1pve n MET 57 Cb 0.05 -1.16 0.17 0.00 -0.71 0.00 0.00 33.22 31.58 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 0.00 0.76 0.00 4.03 7.12 -0.71 -3.17 115.31 123.34 1pve h LEU 58 Ca -0.17 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1pve h LEU 58 Cb 1.29 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1pve h LEU 58 CO -0.02 0.45 0.00 -0.46 -0.13 0.00 0.00 178.44 178.28 1pve n ASN 59 N -4.69 0.00 -4.62 1.25 6.94 -0.27 -4.90 115.26 108.98 1pve n ASN 59 Ca 0.14 -0.22 -0.30 0.00 -0.02 0.00 0.00 54.58 54.17 1pve n ASN 59 Cb 0.25 -0.25 0.19 0.00 -2.36 0.00 0.00 39.78 37.62 1pve n ASN 59 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1pve s GLU 60 N -2.49 0.46 0.77 -3.83 0.41 -1.20 -5.01 118.70 107.81 1pve s GLU 60 Ca 0.29 1.31 -0.14 0.00 -0.41 0.00 0.00 54.97 56.02 1pve s GLU 60 Cb 0.19 -1.68 0.06 0.00 -1.78 0.00 0.00 34.13 30.92 1pve s GLU 60 CO 0.42 -2.93 1.21 -1.25 -0.49 0.00 0.00 175.26 172.21 1pve s PRO 61 N -4.60 1.87 0.00 0.39 0.04 -1.26 -4.97 135.00 126.46 1pve s PRO 61 Ca 0.67 1.77 0.17 0.00 0.04 0.00 0.00 61.00 63.64 1pve s PRO 61 Cb -0.23 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1pve s PRO 61 CO 0.60 -2.04 0.76 1.33 0.04 0.00 0.00 177.00 177.68 1pve n VAL 62 N -3.03 0.00 -3.95 -0.36 0.24 -1.26 -5.02 118.33 104.96 1pve n VAL 62 Ca 0.14 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1pve n VAL 62 Cb 0.50 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.88 1pve n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pve s GLN 63 N -2.39 1.43 -0.00 7.34 -2.07 -1.26 -5.04 119.66 117.67 1pve s GLN 63 Ca 0.09 -1.18 0.01 0.00 -1.82 0.00 0.00 55.36 52.46 1pve s GLN 63 Cb 0.13 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.51 1pve s GLN 63 CO 0.60 -0.58 0.88 0.39 -1.32 0.00 0.00 175.29 175.26 1pve n GLU 64 N -0.34 2.16 -4.09 9.60 1.02 -1.26 -5.06 120.64 122.67 1pve n GLU 64 Ca -0.04 -1.27 -0.13 0.00 -0.02 0.00 0.00 57.16 55.70 1pve n GLU 64 Cb 0.62 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.11 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pve s ALA 65 N -0.79 0.60 0.00 0.62 0.00 -1.26 -5.07 121.76 115.85 1pve s ALA 65 Ca 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1pve s ALA 65 Cb 0.01 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1pve s ALA 65 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1pve n GLY 66 N -0.47 0.12 0.35 0.00 0.00 -1.26 -5.03 105.19 98.90 1pve n GLY 66 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1pve n GLY 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pve h GLY 67 N 0.00 0.00 2.00 -0.02 0.00 -1.97 -1.29 103.07 101.79 1pve h GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pve h GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pve n GLN 68 N -4.04 0.05 0.00 4.80 0.00 -1.26 -3.30 117.38 113.63 1pve n GLN 68 Ca 0.04 0.45 0.06 0.00 0.00 0.00 0.00 57.00 57.55 1pve n GLN 68 Cb 0.41 -1.62 0.38 0.00 0.00 0.00 0.00 30.24 29.41 1pve n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pve n GLY 69 N -0.87 -0.87 3.83 2.61 0.00 -0.49 -4.89 105.19 104.50 1pve n GLY 69 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1pve n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pve s GLY 70 N -1.53 0.29 0.00 -0.02 0.00 -1.21 -5.20 107.32 99.65 1pve s GLY 70 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1pve s GLY 70 CO 0.15 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1pve n GLY 71 N -0.58 -1.36 0.00 0.20 0.00 -1.26 -5.05 105.19 97.14 1pve n GLY 71 Ca -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93