#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv n ALA 2 N 0.00 0.00 -1.14 3.17 0.00 -1.26 -4.69 120.51 116.59 1xpv n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xpv n ALA 2 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1xpv n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xpv n LEU 3 N 0.00 0.00 -3.27 0.00 4.77 -1.26 -4.50 117.00 112.74 1xpv n LEU 3 Ca 0.00 -0.65 -0.02 0.00 -0.03 0.00 0.00 56.01 55.31 1xpv n LEU 3 Cb 0.00 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1xpv n LEU 3 CO 0.00 -1.47 0.07 -0.89 -1.33 0.00 0.00 177.39 173.77 1xpv s THR 4 N -2.16 -0.82 -0.37 -5.08 2.01 -1.03 -2.85 115.64 105.34 1xpv s THR 4 Ca 0.38 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1xpv s THR 4 Cb -0.03 -0.91 0.07 0.00 0.01 0.00 0.00 72.50 71.64 1xpv s THR 4 CO 0.28 -0.05 0.14 -0.22 -0.69 0.00 0.00 174.62 174.09 1xpv s LEU 5 N 2.72 4.70 0.25 4.42 2.96 -1.14 -2.09 118.68 130.51 1xpv s LEU 5 Ca 0.16 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.22 1xpv s LEU 5 Cb -0.15 -1.84 -0.10 0.00 0.50 0.00 0.00 46.19 44.60 1xpv s LEU 5 CO -0.18 -0.43 1.40 -0.31 -1.32 0.00 0.00 176.35 175.51 1xpv s TYR 6 N 1.28 3.07 0.05 5.38 2.02 -1.10 -3.78 117.35 124.28 1xpv s TYR 6 Ca 0.02 1.10 -0.20 0.00 -0.37 0.00 0.00 57.07 57.62 1xpv s TYR 6 Cb -0.21 -3.76 0.04 0.00 -0.40 0.00 0.00 41.96 37.63 1xpv s TYR 6 CO -0.01 -2.42 0.47 1.14 -1.57 0.00 0.00 175.55 173.15 1xpv s GLN 7 N -0.46 0.99 -0.21 -0.62 -2.07 -0.63 -3.68 119.66 112.99 1xpv s GLN 7 Ca 0.58 -0.33 -0.07 0.00 -1.82 0.00 0.00 55.36 53.72 1xpv s GLN 7 Cb -0.41 0.45 0.09 0.00 -1.09 0.00 0.00 33.01 32.05 1xpv s GLN 7 CO 0.43 -0.35 0.44 -0.98 -1.32 0.00 0.00 175.29 173.51 1xpv s ARG 8 N -2.57 0.35 -0.44 9.60 1.04 -1.26 -3.51 118.95 122.15 1xpv s ARG 8 Ca -0.05 1.07 -0.29 0.00 -1.04 0.00 0.00 55.73 55.42 1xpv s ARG 8 Cb -0.01 0.37 0.04 0.00 -2.04 0.00 0.00 34.95 33.32 1xpv s ARG 8 CO -0.03 -0.24 0.63 -0.25 -0.04 0.00 0.00 175.30 175.37 1xpv n ASP 9 N 5.37 -6.58 -4.50 -2.89 8.00 -1.26 -4.59 116.55 110.09 1xpv n ASP 9 Ca -0.09 0.15 -0.63 0.00 0.71 0.00 0.00 54.79 54.93 1xpv n ASP 9 Cb 0.50 -3.29 -0.11 0.00 -0.02 0.00 0.00 41.12 38.20 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xpv n ASP 10 N -0.22 1.14 -0.00 -2.24 -0.08 -1.26 -4.78 116.55 109.11 1xpv n ASP 10 Ca 0.00 0.91 -0.03 0.00 -1.51 0.00 0.00 54.79 54.16 1xpv n ASP 10 Cb 0.59 -0.93 -0.01 0.00 2.34 0.00 0.00 41.12 43.10 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv n HIS 12 N -3.83 -2.11 -0.33 0.00 -0.00 -1.26 -4.88 115.22 102.80 1xpv n HIS 12 Ca -0.05 0.31 0.25 0.00 0.46 0.00 0.00 57.72 58.69 1xpv n HIS 12 Cb 0.19 1.01 0.54 0.00 -0.12 0.00 0.00 29.99 31.61 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1xpv h LEU 13 N 0.00 0.38 -0.14 0.27 5.85 -1.97 1.20 115.31 120.91 1xpv h LEU 13 Ca 0.00 0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 1xpv h LEU 13 Cb 0.00 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xpv h LEU 13 CO 0.00 0.05 -0.85 0.00 -0.34 0.00 0.00 178.44 177.30 1xpv h ASP 15 N 0.48 -0.36 -0.17 0.00 3.58 0.87 0.26 116.42 121.08 1xpv h ASP 15 Ca -0.07 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.45 1xpv h ASP 15 Cb 1.48 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 1xpv h ASP 15 CO 0.17 -0.23 0.13 1.56 -2.88 0.00 0.00 179.24 177.99 1xpv h GLN 16 N -0.36 0.00 0.01 0.28 4.20 -0.27 0.29 115.11 119.26 1xpv h GLN 16 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xpv h GLN 16 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1xpv h GLN 16 CO 0.02 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1xpv h ALA 17 N 1.90 -0.01 -0.46 3.87 0.00 -0.72 -2.16 119.26 121.67 1xpv h ALA 17 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xpv h ALA 17 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1xpv h ALA 17 CO -0.00 -0.19 0.23 0.28 0.00 0.00 0.00 179.25 179.57 1xpv h VAL 18 N -0.63 1.15 0.10 0.00 2.07 0.40 -1.52 116.25 117.83 1xpv h VAL 18 Ca -0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xpv h VAL 18 Cb 0.62 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xpv h VAL 18 CO 0.00 0.18 -0.05 -0.08 0.02 0.00 0.00 177.57 177.64 1xpv h GLU 19 N 0.65 -0.13 -1.00 1.57 4.22 -0.42 0.54 114.58 120.01 1xpv h GLU 19 Ca 0.16 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.68 1xpv h GLU 19 Cb 0.06 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1xpv h GLU 19 CO -0.02 -0.02 0.64 0.00 -2.18 0.00 0.00 179.01 177.43 1xpv h ALA 20 N 0.69 1.38 0.69 2.92 0.00 -0.92 0.63 119.26 124.66 1xpv h ALA 20 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xpv h ALA 20 Cb 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xpv h ALA 20 CO 0.02 0.44 -0.33 -0.07 0.00 0.00 0.00 179.25 179.31 1xpv h LEU 21 N 1.17 -0.79 -0.71 0.00 3.38 -0.84 0.42 115.31 117.95 1xpv h LEU 21 Ca 0.43 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.48 1xpv h LEU 21 Cb 0.16 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1xpv h LEU 21 CO -0.17 -0.56 0.41 0.00 0.09 0.00 0.00 178.44 178.22 1xpv h ALA 22 N -0.63 0.95 -0.85 1.53 0.00 -0.37 0.20 119.26 120.09 1xpv h ALA 22 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xpv h ALA 22 Cb 0.72 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1xpv h ALA 22 CO 0.16 0.12 0.56 1.96 0.00 0.00 0.00 179.25 182.05 1xpv h GLN 23 N 0.77 1.09 -0.00 0.00 4.20 0.57 0.23 115.11 121.97 1xpv h GLN 23 Ca 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1xpv h GLN 23 Cb 0.15 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xpv h GLN 23 CO -0.16 0.72 -0.03 0.00 -0.67 0.00 0.00 178.83 178.68 1xpv n ALA 24 N -2.41 2.56 -3.79 3.87 0.00 0.14 -4.90 120.51 115.99 1xpv n ALA 24 Ca 0.10 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1xpv n ALA 24 Cb 0.05 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.09 1xpv n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpv n ARG 25 N -1.22 -5.87 -0.02 0.00 1.74 0.81 -4.74 116.66 107.36 1xpv n ARG 25 Ca 0.14 0.65 -0.10 0.00 -0.77 0.00 0.00 57.85 57.77 1xpv n ARG 25 Cb 0.25 -5.57 -0.04 0.00 -1.02 0.00 0.00 32.46 26.09 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xpv h ALA 26 N 0.98 -0.38 0.00 7.54 0.00 -1.60 -3.49 119.26 122.32 1xpv h ALA 26 Ca -0.57 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xpv h ALA 26 Cb 1.37 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xpv h ALA 26 CO 0.64 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1xpv n GLY 27 N -1.41 0.45 3.90 0.00 0.00 -1.26 -5.07 105.19 101.80 1xpv n GLY 27 Ca -0.03 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1xpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpv s ALA 28 N -1.49 3.58 0.30 4.61 0.00 -1.26 -4.98 121.76 122.52 1xpv s ALA 28 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1xpv s ALA 28 Cb 0.00 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.82 1xpv s ALA 28 CO 0.00 0.19 0.81 1.97 0.00 0.00 0.00 175.76 178.73 1xpv n PHE 29 N -1.03 -1.96 -4.08 0.00 1.16 -1.26 -4.56 117.46 105.73 1xpv n PHE 29 Ca -0.01 -1.55 -0.31 0.00 -1.87 0.00 0.00 57.45 53.70 1xpv n PHE 29 Cb 0.54 0.77 -0.07 0.00 -1.61 0.00 0.00 39.48 39.11 1xpv n PHE 29 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1xpv s PHE 30 N -2.55 3.22 -0.07 2.97 0.40 -1.13 -4.96 117.98 115.86 1xpv s PHE 30 Ca 0.17 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1xpv s PHE 30 Cb -0.04 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1xpv s PHE 30 CO 0.09 0.53 -0.06 0.45 0.70 0.00 0.00 175.22 176.93 1xpv s SER 31 N -2.10 4.70 -0.02 1.36 0.15 -1.26 -2.86 113.70 113.66 1xpv s SER 31 Ca 0.26 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.94 1xpv s SER 31 Cb -0.12 -1.22 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1xpv s SER 31 CO 0.18 0.36 -0.13 -0.69 1.20 0.00 0.00 173.24 174.16 1xpv s VAL 32 N -0.76 1.03 -0.30 4.45 1.01 -1.25 -5.00 120.40 119.58 1xpv s VAL 32 Ca 0.12 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1xpv s VAL 32 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1xpv s VAL 32 CO 0.02 0.30 0.20 -0.36 0.00 0.00 0.00 175.10 175.26 1xpv s PHE 33 N -0.02 3.22 -0.73 5.22 0.08 -1.26 -1.61 117.98 122.88 1xpv s PHE 33 Ca -0.00 0.02 0.20 0.00 0.12 0.00 0.00 56.93 57.27 1xpv s PHE 33 Cb -0.08 -2.41 0.83 0.00 -0.57 0.00 0.00 43.02 40.79 1xpv s PHE 33 CO 0.01 -0.22 1.61 0.44 -0.10 0.00 0.00 175.22 176.96 1xpv n ILE 34 N 5.07 0.87 -0.40 0.64 -5.35 -1.23 -4.77 119.36 114.19 1xpv n ILE 34 Ca -0.14 0.21 -0.29 0.00 -0.27 0.00 0.00 62.75 62.27 1xpv n ILE 34 Cb 0.51 -1.05 0.27 0.00 -1.74 0.00 0.00 39.64 37.64 1xpv n ILE 34 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1xpv n ASP 35 N -1.89 -2.60 -3.56 7.28 5.75 -1.26 -2.93 116.55 117.32 1xpv n ASP 35 Ca 0.03 -0.41 -0.25 0.00 -0.01 0.00 0.00 54.79 54.16 1xpv n ASP 35 Cb 0.21 -1.16 -0.03 0.00 -1.03 0.00 0.00 41.12 39.12 1xpv n ASP 35 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1xpv n ASP 36 N -5.13 -2.55 -3.14 -1.12 9.92 -1.26 -4.84 116.55 108.44 1xpv n ASP 36 Ca 0.05 -0.48 0.03 0.00 -0.53 0.00 0.00 54.79 53.86 1xpv n ASP 36 Cb 0.56 -2.17 -0.00 0.00 -0.64 0.00 0.00 41.12 38.87 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xpv s ASP 37 N -2.74 -1.34 0.37 -2.24 1.01 -1.15 -5.01 116.67 105.57 1xpv s ASP 37 Ca 0.46 -0.27 0.09 0.00 0.71 0.00 0.00 52.55 53.53 1xpv s ASP 37 Cb -0.26 1.76 0.72 0.00 1.01 0.00 0.00 42.92 46.15 1xpv s ASP 37 CO 0.56 -0.19 1.87 0.00 0.21 0.00 0.00 175.17 177.62 1xpv h ALA 38 N 7.23 1.43 -0.24 5.23 0.00 -1.88 -0.02 119.26 131.01 1xpv h ALA 38 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xpv h ALA 38 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xpv h ALA 38 CO 0.08 0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.88 1xpv h ALA 39 N 1.59 0.30 -0.36 0.00 0.00 -1.95 0.61 119.26 119.46 1xpv h ALA 39 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1xpv h ALA 39 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xpv h ALA 39 CO 0.03 -0.23 -0.31 -0.07 0.00 0.00 0.00 179.25 178.67 1xpv h LEU 40 N 0.31 0.82 -0.39 0.00 3.38 -1.72 0.16 115.31 117.87 1xpv h LEU 40 Ca 0.09 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1xpv h LEU 40 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1xpv h LEU 40 CO -0.02 1.06 0.19 -0.33 0.09 0.00 0.00 178.44 179.44 1xpv h GLU 41 N 0.67 0.56 -0.00 1.13 4.39 -0.42 0.57 114.58 121.47 1xpv h GLU 41 Ca 0.07 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1xpv h GLU 41 Cb 0.84 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1xpv h GLU 41 CO 0.07 0.49 -0.61 1.03 -1.16 0.00 0.00 179.01 178.83 1xpv h SER 42 N 0.50 0.01 -0.18 1.42 0.87 0.35 1.29 113.55 117.82 1xpv h SER 42 Ca 0.14 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1xpv h SER 42 Cb 0.11 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xpv h SER 42 CO -0.02 0.62 -0.33 0.00 -0.53 0.00 0.00 176.83 176.58 1xpv h ALA 43 N 1.38 0.28 0.00 6.23 0.00 -0.15 -3.42 119.26 123.57 1xpv h ALA 43 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xpv h ALA 43 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xpv h ALA 43 CO 0.08 0.32 -0.03 0.66 0.00 0.00 0.00 179.25 180.28 1xpv n TYR 44 N -4.33 0.00 0.00 0.00 4.01 0.19 -4.92 117.16 112.11 1xpv n TYR 44 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1xpv n TYR 44 Cb 0.49 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1xpv n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xpv n GLY 45 N 2.66 0.27 0.07 2.72 0.00 0.44 -1.12 105.19 110.23 1xpv n GLY 45 Ca -0.00 0.78 -0.08 0.00 0.00 0.00 0.00 46.02 46.71 1xpv n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xpv h LEU 46 N 0.00 0.08 -3.36 0.99 -0.00 -1.94 -3.22 115.31 107.86 1xpv h LEU 46 Ca 0.00 -0.08 -0.33 0.00 -0.00 0.00 0.00 57.88 57.47 1xpv h LEU 46 Cb 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 40.66 40.48 1xpv h LEU 46 CO 0.00 1.05 0.42 0.54 -0.00 0.00 0.00 178.44 180.45 1xpv n ARG 47 N -3.40 1.80 -0.07 1.13 3.00 -0.28 -4.49 116.66 114.35 1xpv n ARG 47 Ca -0.02 -1.67 -0.07 0.00 -0.01 0.00 0.00 57.85 56.09 1xpv n ARG 47 Cb 0.94 -1.65 -0.01 0.00 0.00 0.00 0.00 32.46 31.74 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xpv h VAL 48 N 0.84 0.77 -0.26 1.55 2.07 -1.77 -3.21 116.25 116.24 1xpv h VAL 48 Ca 0.32 -0.02 -0.61 0.00 0.82 0.00 0.00 66.70 67.21 1xpv h VAL 48 Cb 1.27 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1xpv h VAL 48 CO 0.75 0.01 2.30 -0.81 0.02 0.00 0.00 177.57 179.83 1xpv n PRO 49 N -5.19 2.24 -5.02 1.57 -0.04 -1.24 -4.07 135.00 123.25 1xpv n PRO 49 Ca -0.01 -2.46 -0.32 0.00 -0.04 0.00 0.00 63.50 60.67 1xpv n PRO 49 Cb 0.15 -3.29 -0.16 0.00 -0.04 0.00 0.00 33.50 30.15 1xpv n PRO 49 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xpv s VAL 50 N 5.47 2.23 -0.22 0.52 1.01 -1.21 -4.13 120.40 124.06 1xpv s VAL 50 Ca 0.56 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1xpv s VAL 50 Cb 0.09 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1xpv s VAL 50 CO 0.05 0.55 0.21 -0.22 0.00 0.00 0.00 175.10 175.69 1xpv s LEU 51 N 0.45 4.14 0.11 3.92 0.20 -1.23 -2.70 118.68 123.57 1xpv s LEU 51 Ca -0.15 0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.97 1xpv s LEU 51 Cb -0.17 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 1xpv s LEU 51 CO 0.06 0.06 -0.20 0.00 -0.29 0.00 0.00 176.35 175.98 1xpv s ARG 52 N 0.97 1.10 0.36 1.98 1.70 -0.89 0.12 118.95 124.29 1xpv s ARG 52 Ca 0.10 -1.16 0.08 0.00 -0.47 0.00 0.00 55.73 54.28 1xpv s ARG 52 Cb -0.13 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 32.90 1xpv s ARG 52 CO 0.04 0.30 0.19 -0.51 -1.08 0.00 0.00 175.30 174.24 1xpv s ASP 53 N -1.98 4.77 0.27 -2.89 1.01 0.27 -2.46 116.67 115.65 1xpv s ASP 53 Ca 0.06 -0.78 0.13 0.00 0.71 0.00 0.00 52.55 52.67 1xpv s ASP 53 Cb -0.09 -0.71 0.28 0.00 1.01 0.00 0.00 42.92 43.41 1xpv s ASP 53 CO 0.04 -0.38 1.55 1.55 0.21 0.00 0.00 175.17 178.14 1xpv h PRO 54 N 1.43 0.00 -1.01 8.23 0.13 -1.84 -3.18 132.00 135.77 1xpv h PRO 54 Ca -0.43 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 1xpv h PRO 54 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1xpv h PRO 54 CO 0.63 0.62 0.66 0.52 -0.23 0.00 0.00 178.00 180.20 1xpv h MET 55 N 0.00 1.22 0.00 0.86 2.86 -1.94 -3.46 114.93 114.47 1xpv h MET 55 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xpv h MET 55 Cb 1.23 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1xpv h MET 55 CO 0.08 0.81 0.00 0.41 1.06 0.00 0.00 176.91 179.27 1xpv n GLY 56 N -1.37 0.73 3.06 8.32 0.00 -1.20 -5.16 105.19 109.57 1xpv n GLY 56 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1xpv n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpv s ARG 57 N 0.00 0.51 0.03 1.61 0.52 -1.26 -4.99 118.95 115.37 1xpv s ARG 57 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1xpv s ARG 57 Cb 0.00 0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 1xpv s ARG 57 CO 0.00 -0.10 -0.06 -1.83 0.02 0.00 0.00 175.30 173.33 1xpv s GLU 58 N -2.79 0.42 -0.04 3.54 4.04 -1.26 0.94 118.70 123.55 1xpv s GLU 58 Ca -0.04 -0.63 -0.01 0.00 0.04 0.00 0.00 54.97 54.34 1xpv s GLU 58 Cb -0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 34.13 33.96 1xpv s GLU 58 CO -0.06 0.02 0.04 -1.17 -1.84 0.00 0.00 175.26 172.25 1xpv s LEU 59 N -1.36 3.71 0.78 1.83 2.96 0.12 -4.98 118.68 121.74 1xpv s LEU 59 Ca -0.11 0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 1xpv s LEU 59 Cb -0.09 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1xpv s LEU 59 CO -0.00 0.32 0.80 -0.67 -1.32 0.00 0.00 176.35 175.48 1xpv n ASP 60 N 1.61 -0.32 0.22 3.68 -0.08 -1.26 -3.46 116.55 116.93 1xpv n ASP 60 Ca -0.16 0.56 -0.15 0.00 -1.51 0.00 0.00 54.79 53.53 1xpv n ASP 60 Cb 0.53 -1.34 -0.08 0.00 2.34 0.00 0.00 41.12 42.57 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1xpv h TRP 61 N -0.70 -0.48 -3.26 -0.67 -0.00 -1.97 -3.39 115.95 105.49 1xpv h TRP 61 Ca -0.46 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.85 1xpv h TRP 61 Cb 1.32 0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 30.59 1xpv h TRP 61 CO 0.40 -0.30 1.06 -1.25 -0.00 0.00 0.00 178.44 178.35 1xpv s PRO 62 N -6.11 3.62 0.14 2.65 0.04 -1.26 -4.94 135.00 129.12 1xpv s PRO 62 Ca -0.16 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 61.86 1xpv s PRO 62 Cb 0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1xpv s PRO 62 CO 0.64 -1.51 0.20 1.97 0.04 0.00 0.00 177.00 178.34 1xpv n PHE 63 N 8.68 -0.89 -4.22 0.56 1.16 -1.26 -5.12 117.46 116.36 1xpv n PHE 63 Ca 0.16 -0.89 -0.11 0.00 -1.87 0.00 0.00 57.45 54.75 1xpv n PHE 63 Cb 0.48 0.23 -0.03 0.00 -1.61 0.00 0.00 39.48 38.54 1xpv n PHE 63 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1xpv n ASP 64 N -1.87 1.36 -0.05 5.98 8.00 -1.26 -4.98 116.55 123.73 1xpv n ASP 64 Ca -0.00 -1.89 -0.14 0.00 0.71 0.00 0.00 54.79 53.47 1xpv n ASP 64 Cb 0.23 0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 41.57 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv h ALA 65 N 1.24 0.00 0.00 2.24 0.00 -1.93 -0.64 119.26 120.18 1xpv h ALA 65 Ca -0.14 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 65 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xpv h ALA 65 CO 0.22 -0.05 -0.13 -1.00 0.00 0.00 0.00 179.25 178.28 1xpv h PRO 66 N -0.80 0.00 0.07 0.00 0.13 -1.92 -0.28 132.00 129.20 1xpv h PRO 66 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1xpv h PRO 66 Cb 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1xpv h PRO 66 CO 0.01 0.13 -1.35 -0.09 -0.23 0.00 0.00 178.00 176.47 1xpv h ARG 67 N 0.00 0.15 0.20 0.86 2.43 -1.96 -2.36 114.38 113.69 1xpv h ARG 67 Ca -0.00 -0.26 -0.32 0.00 -0.81 0.00 0.00 59.98 58.59 1xpv h ARG 67 Cb 0.85 0.10 0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1xpv h ARG 67 CO 0.02 1.02 -1.35 1.25 -1.51 0.00 0.00 179.97 179.40 1xpv h LEU 68 N 0.04 0.85 -0.23 3.80 5.85 -1.01 -3.09 115.31 121.53 1xpv h LEU 68 Ca -0.16 -0.88 -0.03 0.00 0.84 0.00 0.00 57.88 57.65 1xpv h LEU 68 Cb 1.94 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1xpv h LEU 68 CO 0.15 1.66 0.04 -0.09 -0.34 0.00 0.00 178.44 179.86 1xpv h ARG 69 N 0.18 0.37 -0.67 1.25 9.65 -1.16 -0.09 114.38 123.91 1xpv h ARG 69 Ca -0.22 -0.10 0.14 0.00 -1.10 0.00 0.00 59.98 58.70 1xpv h ARG 69 Cb 2.04 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 30.54 1xpv h ARG 69 CO 0.26 0.51 0.45 0.00 2.80 0.00 0.00 179.97 183.99 1xpv h ALA 70 N 0.85 2.21 -0.05 2.80 0.00 -1.52 0.30 119.26 123.84 1xpv h ALA 70 Ca 0.07 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 70 Cb 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xpv h ALA 70 CO 0.00 -0.38 -0.95 2.35 0.00 0.00 0.00 179.25 180.27 1xpv h TRP 71 N 0.30 1.05 -0.16 0.00 7.01 -1.34 -2.26 115.95 120.55 1xpv h TRP 71 Ca 0.32 -0.53 0.05 0.00 2.11 0.00 0.00 58.89 60.84 1xpv h TRP 71 Cb 0.84 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.71 1xpv h TRP 71 CO -0.00 1.37 -0.27 -0.07 -2.79 0.00 0.00 178.44 176.68 1xpv h LEU 72 N 0.44 -0.83 -0.80 0.65 -0.00 0.14 -0.53 115.31 114.39 1xpv h LEU 72 Ca -0.10 0.13 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1xpv h LEU 72 Cb 1.60 0.37 -0.04 0.00 -0.00 0.00 0.00 40.66 42.59 1xpv h LEU 72 CO 0.19 -0.31 0.52 0.44 -0.00 0.00 0.00 178.44 179.28 1xpv h ASP 73 N -0.32 0.92 -0.70 -0.43 5.19 -1.24 -0.24 116.42 119.60 1xpv h ASP 73 Ca 0.11 -0.03 0.20 0.00 -0.62 0.00 0.00 57.03 56.69 1xpv h ASP 73 Cb 0.49 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 1xpv h ASP 73 CO -0.34 0.67 0.81 0.00 -3.12 0.00 0.00 179.24 177.26 1xpv h ALA 74 N 1.29 2.50 -1.98 3.45 0.00 -0.48 -3.39 119.26 120.65 1xpv h ALA 74 Ca 0.29 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.62 1xpv h ALA 74 Cb -0.12 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.59 1xpv h ALA 74 CO -0.06 -1.17 -0.66 0.00 0.00 0.00 0.00 179.25 177.36 1xpv s ALA 75 N -4.52 2.67 1.09 0.00 0.00 -0.10 -5.09 121.76 115.82 1xpv s ALA 75 Ca -0.03 -2.03 -0.18 0.00 0.00 0.00 0.00 51.96 49.71 1xpv s ALA 75 Cb 0.15 0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.65 1xpv s ALA 75 CO 0.50 -0.04 1.23 -1.25 0.00 0.00 0.00 175.76 176.20 1xpv s PRO 76 N -3.69 -0.39 0.18 0.00 0.04 -1.26 -4.85 135.00 125.03 1xpv s PRO 76 Ca 0.32 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1xpv s PRO 76 Cb 0.04 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1xpv s PRO 76 CO 0.15 -3.12 0.05 -1.58 0.04 0.00 0.00 177.00 172.54 1xpv s HIS 77 N -3.48 1.16 0.00 0.56 2.46 -1.26 -4.96 115.29 109.77 1xpv s HIS 77 Ca 0.73 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1xpv s HIS 77 Cb -0.06 -0.65 0.00 0.00 -0.13 0.00 0.00 32.58 31.74 1xpv s HIS 77 CO 0.55 -0.39 0.00 0.00 -2.47 0.00 0.00 174.74 172.43