#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 0.12 0.25 1.61 7.64 -1.26 -1.59 113.62 120.39 1pve n SER 2 Ca 0.00 0.55 0.09 0.00 1.01 0.00 0.00 58.87 60.53 1pve n SER 2 Cb 0.00 -0.57 0.66 0.00 -1.01 0.00 0.00 64.21 63.29 1pve n SER 2 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1pve h HIS 3 N 0.00 0.00 -3.40 1.43 3.86 -2.05 -3.42 115.15 111.57 1pve h HIS 3 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1pve h HIS 3 Cb 0.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1pve h HIS 3 CO 0.00 0.11 0.49 1.41 0.86 0.00 0.00 177.93 180.80 1pve s MET 4 N -4.58 4.53 0.49 2.45 -2.45 -0.62 -4.97 119.30 114.15 1pve s MET 4 Ca -0.04 1.69 0.27 0.00 -1.25 0.00 0.00 55.69 56.35 1pve s MET 4 Cb 0.15 -3.33 1.24 0.00 1.25 0.00 0.00 34.83 34.14 1pve s MET 4 CO 0.64 -0.07 1.97 -1.00 1.05 0.00 0.00 175.02 177.61 1pve h PRO 5 N 6.02 0.00 0.00 4.11 0.13 -1.89 -3.01 132.00 137.36 1pve h PRO 5 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pve h PRO 5 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pve h PRO 5 CO 0.76 0.16 0.00 -0.07 -0.23 0.00 0.00 178.00 178.62 1pve h LEU 6 N 0.00 0.00 -1.24 1.56 3.38 -1.94 -3.30 115.31 113.78 1pve h LEU 6 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1pve h LEU 6 Cb 0.51 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1pve h LEU 6 CO 0.02 0.00 0.54 -0.08 0.09 0.00 0.00 178.44 179.01 1pve h GLU 7 N 0.00 0.93 0.00 1.13 4.57 -1.83 -1.89 114.58 117.49 1pve h GLU 7 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1pve h GLU 7 Cb 0.77 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1pve h GLU 7 CO 0.00 0.62 0.00 1.19 -1.18 0.00 0.00 179.01 179.64 1pve n PHE 8 N -4.47 0.55 0.11 0.92 3.72 -1.24 -3.16 117.46 113.89 1pve n PHE 8 Ca 0.11 0.22 0.05 0.00 -0.05 0.00 0.00 57.45 57.78 1pve n PHE 8 Cb 0.16 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1pve n PHE 8 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1pve h LEU 9 N 0.00 0.00 -1.40 4.37 3.38 -1.56 -3.44 115.31 116.67 1pve h LEU 9 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1pve h LEU 9 Cb 0.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1pve h LEU 9 CO 0.00 0.32 1.05 0.08 0.09 0.00 0.00 178.44 179.98 1pve h ARG 10 N 0.00 0.00 0.00 1.13 0.11 -1.63 -0.66 114.38 113.32 1pve h ARG 10 Ca -0.06 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.99 1pve h ARG 10 Cb 1.29 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.30 1pve h ARG 10 CO 0.03 0.00 -0.50 -1.71 0.10 0.00 0.00 179.97 177.89 1pve n ASN 11 N -3.45 0.13 -4.75 0.08 4.05 -1.26 -4.46 115.26 105.59 1pve n ASN 11 Ca 0.22 -1.84 -0.32 0.00 0.45 0.00 0.00 54.58 53.09 1pve n ASN 11 Cb 1.36 -0.16 0.09 0.00 1.23 0.00 0.00 39.78 42.29 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1pve s GLN 12 N 0.00 2.22 0.40 1.20 -1.52 -0.26 -4.70 119.66 117.00 1pve s GLN 12 Ca 0.06 1.36 -0.23 0.00 -1.95 0.00 0.00 55.36 54.60 1pve s GLN 12 Cb 0.07 -1.88 -0.13 0.00 -0.22 0.00 0.00 33.01 30.85 1pve s GLN 12 CO -0.03 -1.69 0.62 -2.30 -0.25 0.00 0.00 175.29 171.64 1pve n PRO 13 N -3.20 0.67 0.00 2.91 -0.02 -1.26 -1.34 135.00 132.75 1pve n PRO 13 Ca 0.10 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1pve n PRO 13 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1pve n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pve n GLN 14 N 0.58 0.00 0.26 -0.52 10.64 -1.26 -4.51 117.38 122.57 1pve n GLN 14 Ca 0.11 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.42 1pve n GLN 14 Cb 0.38 -1.31 0.66 0.00 -0.86 0.00 0.00 30.24 29.11 1pve n GLN 14 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1pve h PHE 15 N 0.00 0.00 0.00 2.61 3.57 -1.76 -0.22 116.94 121.14 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 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1pve h PHE 15 CO 0.00 0.11 0.00 1.04 -2.23 0.00 0.00 178.31 177.23 1pve n GLN 16 N -3.34 0.21 0.01 1.11 6.02 -0.45 -4.37 117.38 116.57 1pve n GLN 16 Ca -0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1pve n GLN 16 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.18 0.00 -0.03 -1.09 6.02 -0.33 -4.83 117.38 115.95 1pve n GLN 17 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.09 1pve n GLN 17 Cb 0.06 -0.21 0.40 0.00 1.02 0.00 0.00 30.24 31.52 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 0.59 -0.27 -1.09 -0.00 -1.31 -2.05 114.93 110.81 1pve h MET 18 Ca 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1pve h MET 18 Cb 0.36 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.82 1pve h MET 18 CO 0.00 0.39 -0.26 0.00 -0.00 0.00 0.00 176.91 177.04 1pve h ARG 19 N 0.61 0.53 -0.07 -0.10 3.08 -1.82 -2.64 114.38 113.97 1pve h ARG 19 Ca 0.17 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1pve h ARG 19 Cb -0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1pve h ARG 19 CO -0.04 0.75 -0.04 1.96 -1.07 0.00 0.00 179.97 181.53 1pve h GLN 20 N 0.46 0.10 -0.44 0.04 1.08 -1.69 -0.07 115.11 114.59 1pve h GLN 20 Ca 0.06 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 1pve h GLN 20 Cb 0.70 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1pve h GLN 20 CO 0.05 0.15 -0.11 0.82 -0.95 0.00 0.00 178.83 178.80 1pve h ILE 21 N 0.10 1.27 -0.08 2.54 2.04 -1.44 -3.21 117.51 118.73 1pve h ILE 21 Ca 0.02 -1.22 -0.19 0.00 1.00 0.00 0.00 64.86 64.47 1pve h ILE 21 Cb 0.14 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1pve h ILE 21 CO 0.01 0.42 -0.75 0.40 0.00 0.00 0.00 178.15 178.22 1pve h ILE 22 N 0.69 1.37 0.00 -0.67 1.08 -1.30 -0.37 117.51 118.31 1pve h ILE 22 Ca 0.11 -2.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.43 1pve h ILE 22 Cb 0.65 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1pve h ILE 22 CO 0.04 0.65 0.00 0.00 -0.69 0.00 0.00 178.15 178.15 1pve n GLN 23 N -3.84 0.05 0.00 2.37 6.02 -0.11 -1.98 117.38 119.89 1pve n GLN 23 Ca -0.05 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1pve n GLN 23 Cb 0.72 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1pve n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pve n GLN 24 N -1.74 2.41 -3.57 -1.09 10.64 -1.18 -4.91 117.38 117.94 1pve n GLN 24 Ca -0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.89 1pve n GLN 24 Cb 0.01 -0.82 -0.10 0.00 -0.86 0.00 0.00 30.24 28.46 1pve n GLN 24 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1pve n ASN 25 N -1.28 1.07 0.31 2.61 4.13 -0.16 -4.97 115.26 116.97 1pve n ASN 25 Ca 0.00 -2.76 0.20 0.00 1.68 0.00 0.00 54.58 53.70 1pve n ASN 25 Cb 0.20 -0.64 1.00 0.00 -1.54 0.00 0.00 39.78 38.80 1pve n ASN 25 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1pve h PRO 26 N 5.36 0.00 0.00 3.52 0.13 -1.63 -1.52 132.00 137.86 1pve h PRO 26 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 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 0.53 0.00 0.16 0.66 -0.23 0.00 0.00 178.00 179.13 1pve h SER 27 N 0.00 0.00 -0.43 1.44 4.64 -1.93 -2.12 113.55 115.15 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 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 -2.80 3.50 -0.03 5.97 4.77 -0.57 -4.46 117.00 123.38 1pve n LEU 28 Ca -0.02 -1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 54.29 1pve n LEU 28 Cb 0.21 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1pve n LEU 28 CO 0.15 0.78 0.75 0.25 -1.33 0.00 0.00 177.39 177.98 1pve h LEU 29 N 4.32 -0.51 -0.62 2.23 5.85 -1.53 -1.07 115.31 123.97 1pve h LEU 29 Ca 0.00 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.97 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.15 1pve h LEU 29 CO 0.00 -0.20 0.00 -0.65 -0.34 0.00 0.00 178.44 177.25 1pve h PRO 30 N -0.16 0.12 0.00 5.25 0.11 -1.81 -1.47 132.00 134.02 1pve h PRO 30 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pve h PRO 30 Cb 0.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1pve h PRO 30 CO -0.30 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.56 1pve n ALA 31 N -2.80 1.48 -0.07 -0.75 0.00 -0.87 -0.89 120.51 116.61 1pve n ALA 31 Ca 0.09 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1pve n ALA 31 Cb 0.36 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.16 2.74 -0.19 0.00 7.94 -0.46 -3.19 117.00 121.69 1pve n LEU 32 Ca 0.01 0.06 -0.03 0.00 -1.11 0.00 0.00 56.01 54.95 1pve n LEU 32 Cb 0.17 -1.01 0.08 0.00 0.53 0.00 0.00 43.42 43.18 1pve n LEU 32 CO 0.16 0.86 1.03 -0.07 -1.11 0.00 0.00 177.39 178.26 1pve h LEU 33 N -0.04 0.37 -1.24 -1.96 3.38 -1.12 0.66 115.31 115.35 1pve h LEU 33 Ca -0.51 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1pve h LEU 33 Cb 1.93 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.60 1pve h LEU 33 CO -0.03 0.24 0.54 1.56 0.09 0.00 0.00 178.44 180.85 1pve h GLN 34 N 0.51 0.91 0.07 1.13 1.08 -1.18 -1.92 115.11 115.70 1pve h GLN 34 Ca 0.26 -0.05 -0.27 0.00 -1.45 0.00 0.00 58.65 57.14 1pve h GLN 34 Cb 0.21 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1pve h GLN 34 CO -0.20 0.60 -1.12 0.37 -0.95 0.00 0.00 178.83 177.53 1pve h GLN 35 N 0.94 0.49 -0.92 1.46 5.75 -1.16 -2.84 115.11 118.83 1pve h GLN 35 Ca 0.35 -0.62 0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1pve h GLN 35 Cb 0.19 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 1pve h GLN 35 CO -0.12 1.25 0.58 0.82 -2.65 0.00 0.00 178.83 178.71 1pve h ILE 36 N 0.23 1.07 0.00 2.39 2.04 -0.80 -0.86 117.51 121.58 1pve h ILE 36 Ca -0.14 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1pve h ILE 36 Cb 1.79 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1pve h ILE 36 CO 0.20 0.19 -0.00 1.23 0.00 0.00 0.00 178.15 179.77 1pve h GLY 37 N 1.06 0.00 1.74 5.37 0.00 -1.13 0.25 103.07 110.36 1pve h GLY 37 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1pve h GLY 37 CO -0.17 0.00 -0.20 3.21 0.00 0.00 0.00 176.54 179.38 1pve h ARG 38 N 0.00 0.00 0.00 4.80 2.47 -0.93 -3.37 114.38 117.36 1pve h ARG 38 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pve h ARG 38 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1pve h ARG 38 CO 0.00 0.00 -0.18 -0.85 0.56 0.00 0.00 179.97 179.50 1pve n GLU 39 N -2.27 3.09 -3.04 0.04 0.28 -0.86 -4.94 120.64 112.94 1pve n GLU 39 Ca 0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.87 1pve n GLU 39 Cb 0.44 -0.59 -0.03 0.00 1.43 0.00 0.00 31.44 32.69 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 -0.48 -1.14 0.24 -1.84 2.85 0.81 -5.01 115.26 110.69 1pve n ASN 40 Ca 0.00 -2.86 0.16 0.00 -0.11 0.00 0.00 54.58 51.77 1pve n ASN 40 Cb 0.04 0.32 0.86 0.00 1.24 0.00 0.00 39.78 42.24 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 4.27 0.00 0.12 1.20 0.13 -1.71 -0.80 132.00 135.21 1pve h PRO 41 Ca 0.02 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.89 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 0.38 0.00 -1.11 1.96 -0.23 0.00 0.00 178.00 179.00 1pve h GLN 42 N 0.00 0.54 -0.30 0.86 4.20 -1.94 -2.21 115.11 116.27 1pve h GLN 42 Ca 0.00 -0.74 -0.04 0.00 0.06 0.00 0.00 58.65 57.94 1pve h GLN 42 Cb 0.04 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1pve h GLN 42 CO 0.00 1.33 0.03 1.25 -0.67 0.00 0.00 178.83 180.77 1pve h LEU 43 N 0.11 0.40 0.25 1.46 5.85 -1.72 -2.11 115.31 119.55 1pve h LEU 43 Ca -0.17 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1pve h LEU 43 Cb 1.81 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1pve h LEU 43 CO 0.21 0.45 -0.12 0.25 -0.34 0.00 0.00 178.44 178.89 1pve h LEU 44 N 0.43 -0.28 -2.06 2.25 7.12 -1.15 0.50 115.31 122.12 1pve h LEU 44 Ca 0.10 -0.19 0.08 0.00 0.13 0.00 0.00 57.88 58.00 1pve h LEU 44 Cb 0.24 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1pve h LEU 44 CO 0.00 0.05 0.22 1.56 -0.13 0.00 0.00 178.44 180.15 1pve h GLN 45 N -0.64 0.00 0.01 1.25 4.20 -1.42 -0.55 115.11 117.95 1pve h GLN 45 Ca -0.03 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1pve h GLN 45 Cb 0.46 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.25 1pve h GLN 45 CO 0.06 0.00 -0.77 1.96 -0.67 0.00 0.00 178.83 179.41 1pve h GLN 46 N 0.00 0.50 -0.86 1.46 4.20 -1.08 -3.10 115.11 116.23 1pve h GLN 46 Ca 0.14 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1pve h GLN 46 Cb 0.58 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1pve h GLN 46 CO -0.00 1.19 0.52 0.82 -0.67 0.00 0.00 178.83 180.68 1pve h ILE 47 N 0.05 1.24 -0.08 2.54 2.04 -0.34 -2.84 117.51 120.11 1pve h ILE 47 Ca -0.10 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1pve h ILE 47 Cb 1.47 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1pve h ILE 47 CO 0.15 0.25 -0.37 0.77 0.00 0.00 0.00 178.15 178.95 1pve h SER 48 N 1.18 0.17 0.51 1.72 4.64 -1.22 -0.76 113.55 119.80 1pve h SER 48 Ca 0.31 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1pve h SER 48 Cb -0.05 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1pve h SER 48 CO -0.06 0.53 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 1pve n GLN 49 N -4.07 0.06 -1.22 4.77 6.02 -1.09 -3.71 117.38 118.14 1pve n GLN 49 Ca -0.01 0.33 0.03 0.00 -0.01 0.00 0.00 57.00 57.33 1pve n GLN 49 Cb 0.44 -1.61 0.02 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.72 0.00 0.03 1.08 8.25 -0.65 -4.99 115.22 117.21 1pve n HIS 50 Ca 0.03 -0.43 0.06 0.00 -0.26 0.00 0.00 57.72 57.11 1pve n HIS 50 Cb 0.17 -0.13 0.47 0.00 1.12 0.00 0.00 29.99 31.62 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 0.76 0.43 -0.46 -0.41 4.15 -1.26 -0.02 115.11 118.31 1pve h GLN 51 Ca -0.17 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1pve h GLN 51 Cb 1.74 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.31 1pve h GLN 51 CO 0.07 0.29 0.01 0.93 -1.93 0.00 0.00 178.83 178.20 1pve h GLU 52 N 0.45 0.74 0.00 1.69 5.08 -1.92 -0.67 114.58 119.95 1pve h GLU 52 Ca 0.15 -0.19 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1pve h GLU 52 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1pve h GLU 52 CO -0.03 0.75 -0.81 0.45 -1.00 0.00 0.00 179.01 178.37 1pve h HIS 53 N 0.70 0.00 -0.50 4.33 3.86 -1.44 -2.15 115.15 119.94 1pve h HIS 53 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1pve h HIS 53 Cb 0.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1pve h HIS 53 CO 0.02 0.81 0.28 0.35 0.86 0.00 0.00 177.93 180.24 1pve h PHE 54 N 0.00 0.69 -0.71 2.45 3.57 -1.00 -0.09 116.94 121.85 1pve h PHE 54 Ca -0.01 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1pve h PHE 54 Cb 1.52 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 1pve h PHE 54 CO 0.00 0.51 0.47 0.82 -2.23 0.00 0.00 178.31 177.88 1pve h ILE 55 N 0.67 1.07 -0.12 1.41 2.04 -1.01 0.15 117.51 121.73 1pve h ILE 55 Ca 0.18 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1pve h ILE 55 Cb 0.05 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1pve h ILE 55 CO -0.03 0.15 -0.05 1.56 0.00 0.00 0.00 178.15 179.78 1pve h GLN 56 N 0.82 0.25 -0.52 2.37 4.20 -1.10 -1.73 115.11 119.40 1pve h GLN 56 Ca 0.29 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1pve h GLN 56 Cb 0.13 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1pve h GLN 56 CO -0.09 0.58 0.34 0.52 -0.67 0.00 0.00 178.83 179.51 1pve h MET 57 N -0.09 0.66 -0.53 1.46 2.86 -0.54 -0.65 114.93 118.09 1pve h MET 57 Ca 0.03 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1pve h MET 57 Cb 0.50 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1pve h MET 57 CO 0.02 0.44 0.05 -0.07 1.06 0.00 0.00 176.91 178.40 1pve h LEU 58 N 0.68 0.89 -0.60 1.22 3.38 -0.71 -3.19 115.31 116.98 1pve h LEU 58 Ca 0.19 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1pve h LEU 58 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1pve h LEU 58 CO -0.04 0.95 -0.59 0.78 0.09 0.00 0.00 178.44 179.63 1pve h ASN 59 N 0.79 0.41 -4.07 -0.43 2.35 -0.76 -3.45 115.58 110.41 1pve h ASN 59 Ca 0.16 -0.23 -0.54 0.00 -0.55 0.00 0.00 56.30 55.14 1pve h ASN 59 Cb 0.47 -0.12 0.12 0.00 0.05 0.00 0.00 38.32 38.84 1pve h ASN 59 CO 0.02 0.90 0.52 -1.61 -1.65 0.00 0.00 177.43 175.62 1pve s GLU 60 N -3.84 3.02 0.61 0.81 0.41 -0.30 -5.00 118.70 114.41 1pve s GLU 60 Ca -0.05 1.99 -0.17 0.00 -0.41 0.00 0.00 54.97 56.34 1pve s GLU 60 Cb 0.12 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.38 1pve s GLU 60 CO 0.81 -1.21 1.10 -1.25 -0.49 0.00 0.00 175.26 174.23 1pve s PRO 61 N -3.14 3.08 0.50 0.39 0.04 -1.26 -4.95 135.00 129.66 1pve s PRO 61 Ca 0.75 1.42 0.19 0.00 0.04 0.00 0.00 61.00 63.40 1pve s PRO 61 Cb -0.35 -1.99 1.25 0.00 0.04 0.00 0.00 34.50 33.46 1pve s PRO 61 CO 0.39 -1.03 2.08 -0.39 0.04 0.00 0.00 177.00 178.08 1pve h VAL 62 N 0.49 0.92 0.00 -0.36 -1.51 -1.89 -1.30 116.25 112.60 1pve h VAL 62 Ca -0.48 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1pve h VAL 62 Cb 1.25 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1pve h VAL 62 CO 0.56 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 177.00 1pve n GLN 63 N -4.18 0.91 0.00 5.19 6.02 -1.26 -4.67 117.38 119.40 1pve n GLN 63 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1pve n GLN 63 Cb 0.19 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1pve n GLN 63 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1pve n GLU 64 N -0.34 0.00 0.00 -1.09 2.13 -0.49 -3.44 120.64 117.42 1pve n GLU 64 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pve n GLU 64 Cb 0.07 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 31.65 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pve n ALA 65 N 0.00 0.00 -1.97 4.31 0.00 -1.26 -4.53 120.51 117.06 1pve n ALA 65 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pve n ALA 65 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1pve n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pve n GLY 66 N 0.00 0.42 0.08 0.00 0.00 -1.22 -4.92 105.19 99.55 1pve n GLY 66 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.05 -0.71 3.70 -0.02 0.00 -1.26 -4.92 105.19 100.92 1pve n GLY 67 Ca -0.17 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.90 1.51 3.58 1.61 -2.07 -1.26 -4.88 119.66 116.25 1pve s GLN 68 Ca 0.01 1.65 0.00 0.00 -1.82 0.00 0.00 55.36 55.20 1pve s GLN 68 Cb 0.01 -1.77 0.00 0.00 -1.09 0.00 0.00 33.01 30.15 1pve s GLN 68 CO 0.01 -2.28 0.00 0.41 -1.32 0.00 0.00 175.29 172.11 1pve n GLY 69 N 0.27 0.81 3.75 2.60 0.00 -1.26 -5.01 105.19 106.35 1pve n GLY 69 Ca 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.32 -0.22 0.00 -0.02 0.00 -1.26 -5.20 107.32 98.30 1pve s GLY 70 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1pve s GLY 70 CO 0.00 0.77 0.00 0.61 0.00 0.00 0.00 173.10 174.48 1pve n GLY 71 N -0.54 -1.53 0.00 0.20 0.00 -1.26 -5.30 105.19 96.76 1pve n GLY 71 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93