#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 7.09 0.16 1.61 0.01 -1.26 -5.05 113.70 116.27 1pve s SER 2 Ca 0.00 1.88 -0.03 0.00 1.31 0.00 0.00 55.95 59.11 1pve s SER 2 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1pve s SER 2 CO 0.00 -0.51 0.15 -1.00 0.41 0.00 0.00 173.24 172.29 1pve s HIS 3 N 1.64 0.82 -0.11 2.43 0.09 -1.26 -5.19 115.29 113.71 1pve s HIS 3 Ca 0.57 -1.15 -0.08 0.00 -0.00 0.00 0.00 55.06 54.39 1pve s HIS 3 Cb -0.26 -0.38 0.03 0.00 -0.00 0.00 0.00 32.58 31.97 1pve s HIS 3 CO 0.25 -0.62 0.28 1.41 -0.00 0.00 0.00 174.74 176.06 1pve s MET 4 N -4.06 0.29 0.87 1.40 -2.45 -1.26 -5.18 119.30 108.91 1pve s MET 4 Ca 0.27 0.45 -0.12 0.00 -1.25 0.00 0.00 55.69 55.04 1pve s MET 4 Cb 0.06 0.06 0.11 0.00 1.25 0.00 0.00 34.83 36.32 1pve s MET 4 CO 0.05 -0.08 1.16 -1.25 1.05 0.00 0.00 175.02 175.95 1pve s PRO 5 N 0.55 1.48 0.00 4.11 0.04 -1.26 -4.39 135.00 135.54 1pve s PRO 5 Ca -0.03 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1pve s PRO 5 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1pve s PRO 5 CO -0.03 -1.94 0.00 1.28 0.04 0.00 0.00 177.00 176.35 1pve n LEU 6 N -3.57 0.33 0.26 -3.56 4.77 -1.26 -4.82 117.00 109.15 1pve n LEU 6 Ca 0.08 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1pve n LEU 6 Cb 0.60 -0.80 0.87 0.00 -2.33 0.00 0.00 43.42 41.76 1pve n LEU 6 CO 0.57 -0.16 1.02 1.05 -1.33 0.00 0.00 177.39 178.53 1pve h GLU 7 N 0.11 0.00 0.00 3.23 4.11 -2.01 -0.58 114.58 119.45 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 0.27 0.07 0.00 0.00 179.01 179.35 1pve h PHE 8 N 0.00 0.00 0.00 2.06 -5.15 -1.92 -2.96 116.94 108.98 1pve h PHE 8 Ca 0.00 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.65 1pve h PHE 8 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.28 1pve h PHE 8 CO 0.00 0.00 -0.62 -0.07 -2.00 0.00 0.00 178.31 175.62 1pve h LEU 9 N 0.00 0.00 -8.74 2.10 3.38 -1.51 -3.45 115.31 107.10 1pve h LEU 9 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1pve h LEU 9 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1pve h LEU 9 CO 0.00 0.57 1.31 0.54 0.09 0.00 0.00 178.44 180.95 1pve n ARG 10 N -3.22 1.29 -1.61 1.13 1.74 -1.12 -1.68 116.66 113.19 1pve n ARG 10 Ca 0.01 0.39 -0.19 0.00 -0.77 0.00 0.00 57.85 57.29 1pve n ARG 10 Cb 0.77 -2.48 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 1pve n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pve n ASN 11 N 8.95 -5.30 -4.72 0.55 5.15 -1.26 -5.03 115.26 113.60 1pve n ASN 11 Ca 0.36 0.43 -0.35 0.00 -0.60 0.00 0.00 54.58 54.43 1pve n ASN 11 Cb 0.24 -4.46 0.09 0.00 -0.53 0.00 0.00 39.78 35.11 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1pve s GLN 12 N -3.70 2.24 0.39 1.20 -1.52 -0.67 -4.71 119.66 112.88 1pve s GLN 12 Ca 0.00 1.86 0.15 0.00 -1.95 0.00 0.00 55.36 55.41 1pve s GLN 12 Cb 0.00 -1.83 0.99 0.00 -0.22 0.00 0.00 33.01 31.95 1pve s GLN 12 CO 0.00 -1.78 1.83 -1.35 -0.25 0.00 0.00 175.29 173.75 1pve h PRO 13 N -0.05 0.49 0.08 2.91 0.11 -1.95 0.03 132.00 133.61 1pve h PRO 13 Ca -0.49 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.34 1pve h PRO 13 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pve h PRO 13 CO 0.51 0.32 -1.12 1.96 -0.21 0.00 0.00 178.00 179.45 1pve h GLN 14 N 0.50 0.30 0.00 1.05 4.20 -1.96 -3.33 115.11 115.87 1pve h GLN 14 Ca 0.50 -0.43 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1pve h GLN 14 Cb 1.10 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1pve h GLN 14 CO -0.23 1.16 -0.36 0.35 -0.67 0.00 0.00 178.83 179.09 1pve h PHE 15 N 0.12 0.00 0.00 2.96 3.57 -1.40 -0.69 116.94 121.50 1pve h PHE 15 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1pve h PHE 15 Cb 1.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.56 1pve h PHE 15 CO 0.06 0.36 0.00 1.96 -2.23 0.00 0.00 178.31 178.46 1pve h GLN 16 N 0.00 0.00 0.00 1.11 4.20 -1.18 -3.37 115.11 115.87 1pve h GLN 16 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 16 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1pve h GLN 16 CO 0.05 0.00 -0.91 1.04 -0.67 0.00 0.00 178.83 178.33 1pve n GLN 17 N -2.37 0.00 0.01 1.46 6.02 -0.61 -4.68 117.38 117.22 1pve n GLN 17 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1pve n GLN 17 Cb 0.07 -0.55 0.44 0.00 1.02 0.00 0.00 30.24 31.22 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 0.51 0.00 -1.09 -0.00 -1.34 -1.58 114.93 111.42 1pve h MET 18 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.70 59.58 1pve h MET 18 Cb 0.91 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.39 1pve h MET 18 CO 0.00 0.34 -0.40 0.00 -0.00 0.00 0.00 176.91 176.84 1pve h ARG 19 N 0.52 0.00 -0.90 -0.10 3.08 -1.83 -2.66 114.38 112.49 1pve h ARG 19 Ca 0.15 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1pve h ARG 19 Cb -0.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1pve h ARG 19 CO -0.03 0.40 0.58 1.96 -1.07 0.00 0.00 179.97 181.81 1pve h GLN 20 N 0.00 1.07 -0.68 0.04 4.20 -1.56 0.64 115.11 118.82 1pve h GLN 20 Ca -0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 20 Cb 0.72 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1pve h GLN 20 CO 0.05 0.71 0.32 0.82 -0.67 0.00 0.00 178.83 180.05 1pve h ILE 21 N 1.10 1.22 0.19 2.54 2.04 -1.48 -1.92 117.51 121.20 1pve h ILE 21 Ca 0.37 -0.63 -0.34 0.00 1.00 0.00 0.00 64.86 65.27 1pve h ILE 21 Cb 0.06 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1pve h ILE 21 CO -0.14 0.26 -1.63 0.40 0.00 0.00 0.00 178.15 177.04 1pve h ILE 22 N 0.96 1.02 0.00 -0.67 1.08 -1.40 -1.71 117.51 116.80 1pve h ILE 22 Ca 0.23 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1pve h ILE 22 Cb 0.11 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1pve h ILE 22 CO -0.03 0.83 0.00 0.00 -0.69 0.00 0.00 178.15 178.26 1pve n GLN 23 N -3.68 0.02 -0.06 2.37 6.02 0.18 -1.52 117.38 120.70 1pve n GLN 23 Ca -0.23 0.32 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 1pve n GLN 23 Cb 1.05 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 30.65 1pve n GLN 23 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1pve n GLN 24 N -1.57 0.64 -3.52 -1.09 -0.06 -0.73 -4.88 117.38 106.18 1pve n GLN 24 Ca 0.03 0.44 -0.29 0.00 -2.00 0.00 0.00 57.00 55.17 1pve n GLN 24 Cb 0.14 -1.72 -0.13 0.00 -4.06 0.00 0.00 30.24 24.47 1pve n GLN 24 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1pve s ASN 25 N -6.95 3.24 0.51 1.69 -0.87 -0.64 -5.03 114.94 106.88 1pve s ASN 25 Ca -0.27 -1.93 0.27 0.00 -1.57 0.00 0.00 52.86 49.36 1pve s ASN 25 Cb 0.07 -0.45 1.35 0.00 -0.02 0.00 0.00 41.25 42.20 1pve s ASN 25 CO 0.66 -0.35 2.02 1.55 -2.57 0.00 0.00 177.10 178.41 1pve h PRO 26 N 7.46 0.00 0.00 -0.60 0.13 -1.54 -1.99 132.00 135.46 1pve h PRO 26 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1pve h PRO 26 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1pve h PRO 26 CO 0.34 0.14 0.04 0.77 -0.23 0.00 0.00 178.00 179.06 1pve h SER 27 N 0.00 0.00 -0.16 1.44 0.02 -1.96 -2.08 113.55 110.82 1pve h SER 27 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pve h SER 27 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1pve h SER 27 CO 0.02 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 1pve n LEU 28 N -2.38 2.32 -0.12 5.07 4.77 -0.75 -4.36 117.00 121.56 1pve n LEU 28 Ca -0.02 -0.90 -0.05 0.00 -0.03 0.00 0.00 56.01 55.01 1pve n LEU 28 Cb 0.08 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1pve n LEU 28 CO 0.11 0.45 0.76 0.25 -1.33 0.00 0.00 177.39 177.63 1pve h LEU 29 N 3.28 -0.48 -0.64 2.23 5.85 -1.56 -1.20 115.31 122.80 1pve h LEU 29 Ca 0.00 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.99 1pve h LEU 29 Cb 0.71 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 1pve h LEU 29 CO 0.00 -0.17 -0.04 -0.65 -0.34 0.00 0.00 178.44 177.24 1pve h PRO 30 N -0.05 0.08 0.00 5.25 0.11 -1.83 -1.50 132.00 134.06 1pve h PRO 30 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1pve h PRO 30 Cb 0.35 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1pve h PRO 30 CO -0.44 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 177.41 1pve n ALA 31 N -2.88 1.51 -0.10 -0.75 0.00 -0.59 -0.74 120.51 116.96 1pve n ALA 31 Ca 0.09 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1pve n ALA 31 Cb 0.36 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.49 2.76 -0.19 0.00 7.94 -0.56 -3.40 117.00 122.06 1pve n LEU 32 Ca 0.03 -0.06 -0.05 0.00 -1.11 0.00 0.00 56.01 54.82 1pve n LEU 32 Cb 0.13 -0.88 0.05 0.00 0.53 0.00 0.00 43.42 43.25 1pve n LEU 32 CO 0.10 0.90 1.08 -0.07 -1.11 0.00 0.00 177.39 178.29 1pve h LEU 33 N 0.01 0.54 -2.03 -1.96 3.38 -1.05 -0.04 115.31 114.16 1pve h LEU 33 Ca -0.54 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1pve h LEU 33 Cb 1.94 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1pve h LEU 33 CO -0.05 0.38 -0.07 1.56 0.09 0.00 0.00 178.44 180.35 1pve h GLN 34 N 0.67 0.00 0.20 1.13 4.20 -1.12 -1.99 115.11 118.19 1pve h GLN 34 Ca 0.23 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.63 1pve h GLN 34 Cb 0.04 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.85 1pve h GLN 34 CO -0.11 0.07 -1.34 0.37 -0.67 0.00 0.00 178.83 177.16 1pve h GLN 35 N 0.00 0.56 -0.98 1.46 -0.00 -1.23 -3.21 115.11 111.70 1pve h GLN 35 Ca -0.00 -0.87 0.06 0.00 -0.00 0.00 0.00 58.65 57.84 1pve h GLN 35 Cb 0.16 0.31 -0.07 0.00 0.00 0.00 0.00 27.48 27.88 1pve h GLN 35 CO 0.01 1.41 0.63 0.82 0.00 0.00 0.00 178.83 181.70 1pve h ILE 36 N 0.16 1.09 0.00 2.39 2.04 -0.85 -1.24 117.51 121.09 1pve h ILE 36 Ca -0.22 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1pve h ILE 36 Cb 2.03 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1pve h ILE 36 CO 0.25 0.21 0.00 0.61 0.00 0.00 0.00 178.15 179.22 1pve n GLY 37 N -1.36 -0.50 0.55 5.37 0.00 -0.77 -0.27 105.19 108.21 1pve n GLY 37 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1pve n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pve n ARG 38 N -1.40 1.16 0.00 1.61 5.12 -0.47 -4.29 116.66 118.39 1pve n ARG 38 Ca 0.01 -1.28 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 1pve n ARG 38 Cb 0.03 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.67 2.48 -3.07 5.56 0.28 -0.83 -4.97 120.64 120.76 1pve n GLU 39 Ca 0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.90 1pve n GLU 39 Cb 0.36 -0.58 -0.04 0.00 1.43 0.00 0.00 31.44 32.61 1pve n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pve n ASN 40 N -0.53 -1.08 0.33 -1.84 2.85 0.63 -5.00 115.26 110.61 1pve n ASN 40 Ca 0.00 -2.81 0.22 0.00 -0.11 0.00 0.00 54.58 51.88 1pve n ASN 40 Cb 0.05 0.23 1.16 0.00 1.24 0.00 0.00 39.78 42.46 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pve h PRO 41 N 4.40 0.00 0.07 1.20 0.13 -1.74 -0.95 132.00 135.11 1pve h PRO 41 Ca 0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.91 1pve h PRO 41 Cb 0.95 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.10 1pve h PRO 41 CO 0.37 0.00 -1.11 1.96 -0.23 0.00 0.00 178.00 178.99 1pve h GLN 42 N 0.00 0.63 -0.43 0.86 1.08 -1.94 -1.80 115.11 113.50 1pve h GLN 42 Ca 0.00 -0.77 -0.03 0.00 -1.45 0.00 0.00 58.65 56.40 1pve h GLN 42 Cb 0.02 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1pve h GLN 42 CO 0.00 1.34 0.16 1.25 -0.95 0.00 0.00 178.83 180.63 1pve h LEU 43 N 0.27 0.56 0.00 1.46 5.85 -1.78 -2.46 115.31 119.21 1pve h LEU 43 Ca -0.16 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1pve h LEU 43 Cb 1.78 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1pve h LEU 43 CO 0.21 0.52 -0.00 0.25 -0.34 0.00 0.00 178.44 179.08 1pve h LEU 44 N 0.61 -0.00 -0.90 2.25 7.12 -1.03 0.13 115.31 123.48 1pve h LEU 44 Ca 0.15 -0.38 0.16 0.00 0.13 0.00 0.00 57.88 57.94 1pve h LEU 44 Cb 0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.17 1pve h LEU 44 CO -0.01 0.38 0.49 1.56 -0.13 0.00 0.00 178.44 180.72 1pve h GLN 45 N -0.38 0.64 -0.34 1.25 4.20 -1.39 0.03 115.11 119.12 1pve h GLN 45 Ca -0.00 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1pve h GLN 45 Cb 0.38 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1pve h GLN 45 CO 0.00 0.42 -0.39 1.96 -0.67 0.00 0.00 178.83 180.16 1pve h GLN 46 N 0.66 0.86 -0.70 1.46 4.20 -1.00 -1.58 115.11 119.01 1pve h GLN 46 Ca 0.50 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1pve h GLN 46 Cb 0.75 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1pve h GLN 46 CO -0.38 1.11 0.40 0.82 -0.67 0.00 0.00 178.83 180.12 1pve h ILE 47 N 0.65 1.20 -0.29 2.54 2.04 -0.46 -2.35 117.51 120.84 1pve h ILE 47 Ca 0.05 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1pve h ILE 47 Cb 0.98 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1pve h ILE 47 CO 0.09 0.22 -0.21 0.28 0.00 0.00 0.00 178.15 178.53 1pve h SER 48 N 0.97 0.55 0.74 1.72 0.02 -0.71 -0.47 113.55 116.36 1pve h SER 48 Ca 0.25 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1pve h SER 48 Cb -0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1pve h SER 48 CO -0.04 0.76 -0.24 1.56 -1.14 0.00 0.00 176.83 177.73 1pve h GLN 49 N 0.49 0.00 0.00 3.45 1.08 -0.95 -3.35 115.11 115.83 1pve h GLN 49 Ca 0.08 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1pve h GLN 49 Cb 0.64 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.84 1pve h GLN 49 CO 0.05 0.24 -0.80 0.72 -0.95 0.00 0.00 178.83 178.08 1pve n HIS 50 N -3.51 0.00 0.25 2.96 8.25 -0.91 -4.96 115.22 117.29 1pve n HIS 50 Ca -0.01 -0.88 0.08 0.00 -0.26 0.00 0.00 57.72 56.65 1pve n HIS 50 Cb 0.40 -0.19 0.61 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 0.96 0.00 -0.22 -0.41 4.15 -1.23 -2.14 115.11 116.22 1pve h GLN 51 Ca -0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1pve h GLN 51 Cb 1.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 1pve h GLN 51 CO 0.06 0.05 0.14 1.49 -1.93 0.00 0.00 178.83 178.63 1pve h GLU 52 N 0.00 0.30 -0.39 1.69 4.22 -1.93 -0.48 114.58 117.99 1pve h GLU 52 Ca -0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.32 1pve h GLU 52 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1pve h GLU 52 CO 0.01 0.23 -0.13 1.25 -2.18 0.00 0.00 179.01 178.19 1pve h HIS 53 N 0.28 0.76 0.23 0.92 2.76 -1.79 -1.78 115.15 116.52 1pve h HIS 53 Ca 0.08 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1pve h HIS 53 Cb 0.01 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 1pve h HIS 53 CO -0.05 0.79 -0.13 0.35 -1.30 0.00 0.00 177.93 177.59 1pve h PHE 54 N 0.63 -0.34 -0.77 5.26 3.57 -1.29 -2.67 116.94 121.33 1pve h PHE 54 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1pve h PHE 54 Cb 0.59 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1pve h PHE 54 CO 0.03 -0.21 0.51 0.82 -2.23 0.00 0.00 178.31 177.23 1pve h ILE 55 N -0.34 1.18 -0.14 1.41 2.04 -0.84 0.77 117.51 121.59 1pve h ILE 55 Ca -0.02 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1pve h ILE 55 Cb 0.28 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1pve h ILE 55 CO 0.03 0.19 0.01 1.56 0.00 0.00 0.00 178.15 179.94 1pve h GLN 56 N 1.02 0.06 -0.22 2.37 1.08 -1.23 -0.97 115.11 117.22 1pve h GLN 56 Ca 0.29 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.34 1pve h GLN 56 Cb -0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1pve h GLN 56 CO -0.07 0.04 -0.44 0.52 -0.95 0.00 0.00 178.83 177.93 1pve h MET 57 N 0.06 0.55 -0.15 1.46 2.86 -1.03 -1.61 114.93 117.06 1pve h MET 57 Ca 0.06 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1pve h MET 57 Cb 0.07 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1pve h MET 57 CO -0.10 0.88 -0.10 1.25 1.06 0.00 0.00 176.91 179.90 1pve h LEU 58 N 0.44 0.22 0.00 1.22 7.12 -0.78 -3.36 115.31 120.17 1pve h LEU 58 Ca 0.03 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1pve h LEU 58 Cb 0.95 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.02 1pve h LEU 58 CO 0.08 0.36 -1.51 -3.20 -0.13 0.00 0.00 178.44 174.04 1pve n ASN 59 N -4.30 2.58 -4.75 1.25 5.15 -0.38 -4.80 115.26 110.02 1pve n ASN 59 Ca -0.01 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.61 1pve n ASN 59 Cb 0.25 1.39 0.05 0.00 -0.53 0.00 0.00 39.78 40.94 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 -2.67 2.85 -0.31 1.20 -1.05 -0.62 -4.86 118.70 113.24 1pve s GLU 60 Ca -0.04 1.95 -0.37 0.00 -0.15 0.00 0.00 54.97 56.36 1pve s GLU 60 Cb 0.06 -1.94 -0.13 0.00 -0.44 0.00 0.00 34.13 31.68 1pve s GLU 60 CO 0.44 -1.33 2.01 -2.30 0.95 0.00 0.00 175.26 175.02 1pve n PRO 61 N -1.63 1.16 0.23 -4.83 -0.02 -1.26 -4.86 135.00 123.78 1pve n PRO 61 Ca 0.14 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 1pve n PRO 61 Cb 0.49 -2.31 0.54 0.00 -0.02 0.00 0.00 33.50 32.20 1pve n PRO 61 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1pve h VAL 62 N 6.29 0.88 -3.63 -1.45 3.04 -1.91 -3.45 116.25 116.02 1pve h VAL 62 Ca -0.35 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.39 1pve h VAL 62 Cb 1.32 1.52 -0.12 0.00 -2.01 0.00 0.00 31.29 32.00 1pve h VAL 62 CO 1.00 0.23 -0.20 0.00 -1.01 0.00 0.00 177.57 177.59 1pve s GLN 63 N -4.17 1.12 0.11 4.17 -2.07 -1.26 -5.03 119.66 112.53 1pve s GLN 63 Ca -0.02 -0.95 -0.05 0.00 -1.82 0.00 0.00 55.36 52.51 1pve s GLN 63 Cb 0.13 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1pve s GLN 63 CO 0.65 -0.42 0.13 -1.21 -1.32 0.00 0.00 175.29 173.12 1pve s GLU 64 N -3.89 0.91 0.17 9.60 2.02 -1.26 -5.19 118.70 121.06 1pve s GLU 64 Ca 0.09 -1.20 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 1pve s GLU 64 Cb 0.02 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.55 1pve s GLU 64 CO -0.06 -0.28 0.35 0.00 0.02 0.00 0.00 175.26 175.29 1pve s ALA 65 N -3.95 -0.30 0.00 5.21 0.00 -1.26 -5.19 121.76 116.27 1pve s ALA 65 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1pve s ALA 65 Cb 0.06 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1pve s ALA 65 CO -0.04 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1pve n GLY 66 N -0.24 -1.28 2.14 0.00 0.00 -1.26 -5.20 105.19 99.36 1pve n GLY 66 Ca -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.07 0.40 3.68 -0.02 0.00 -1.26 -4.84 105.19 103.07 1pve n GLY 67 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.01 1.07 -0.22 1.61 -2.07 -1.26 -5.17 119.66 111.61 1pve s GLN 68 Ca 0.16 1.07 0.07 0.00 -1.82 0.00 0.00 55.36 54.85 1pve s GLN 68 Cb -0.00 -1.77 0.24 0.00 -1.09 0.00 0.00 33.01 30.38 1pve s GLN 68 CO -0.00 -2.44 1.13 0.41 -1.32 0.00 0.00 175.29 173.06 1pve n GLY 69 N -0.54 0.71 0.00 2.60 0.00 -1.26 -5.00 105.19 101.71 1pve n GLY 69 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.86 0.00 3.03 -0.02 0.00 -1.26 -5.18 105.19 100.90 1pve n GLY 70 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.57 0.00 -0.02 0.00 -1.26 -5.34 105.19 99.13 1pve n GLY 71 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93