#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 -1.02 -5.12 0.00 -1.26 -4.54 120.51 108.56 1xpv n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xpv n ALA 2 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 1xpv n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xpv s LEU 3 N 0.00 0.85 -0.28 0.00 1.43 -1.26 -3.73 118.68 115.70 1xpv s LEU 3 Ca 0.00 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1xpv s LEU 3 Cb 0.00 -2.74 0.17 0.00 0.03 0.00 0.00 46.19 43.64 1xpv s LEU 3 CO 0.00 -3.91 0.49 -0.89 0.23 0.00 0.00 176.35 172.27 1xpv s THR 4 N -2.91 -0.81 -0.43 5.49 2.01 -0.41 -2.85 115.64 115.73 1xpv s THR 4 Ca 0.69 -0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 1xpv s THR 4 Cb -0.14 -0.93 0.10 0.00 0.01 0.00 0.00 72.50 71.55 1xpv s THR 4 CO 0.57 -0.08 0.27 -0.22 -0.69 0.00 0.00 174.62 174.47 1xpv s LEU 5 N 2.70 5.37 0.22 4.42 2.96 -1.22 -1.70 118.68 131.42 1xpv s LEU 5 Ca 0.15 -1.83 -0.31 0.00 -0.22 0.00 0.00 54.13 51.93 1xpv s LEU 5 Cb -0.14 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 1xpv s LEU 5 CO -0.20 -0.60 1.47 -0.31 -1.32 0.00 0.00 176.35 175.39 1xpv s TYR 6 N 1.30 3.04 0.18 5.38 2.02 -1.11 -3.88 117.35 124.29 1xpv s TYR 6 Ca 0.05 0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 57.64 1xpv s TYR 6 Cb -0.24 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.44 1xpv s TYR 6 CO -0.01 -2.87 0.12 -0.65 -1.57 0.00 0.00 175.55 170.57 1xpv s GLN 7 N 0.15 1.12 0.34 -0.62 -0.21 -0.10 -3.61 119.66 116.74 1xpv s GLN 7 Ca 0.63 -1.55 0.06 0.00 0.02 0.00 0.00 55.36 54.51 1xpv s GLN 7 Cb -0.42 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 33.83 1xpv s GLN 7 CO 0.39 -0.36 0.22 -0.98 -2.12 0.00 0.00 175.29 172.44 1xpv s ARG 8 N -4.12 1.77 0.06 2.91 1.70 -1.26 -1.85 118.95 118.16 1xpv s ARG 8 Ca 0.33 -2.04 -0.16 0.00 -0.47 0.00 0.00 55.73 53.40 1xpv s ARG 8 Cb 0.07 0.04 -0.06 0.00 -0.57 0.00 0.00 34.95 34.43 1xpv s ARG 8 CO 0.08 -0.58 1.26 0.22 -1.08 0.00 0.00 175.30 175.21 1xpv h ASP 9 N 2.07 -0.87 -1.28 -2.89 3.58 -2.00 -3.38 116.42 111.64 1xpv h ASP 9 Ca -0.29 0.11 -0.71 0.00 0.42 0.00 0.00 57.03 56.56 1xpv h ASP 9 Cb 1.25 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 1xpv h ASP 9 CO 0.44 -0.20 1.13 -0.67 -2.88 0.00 0.00 179.24 177.05 1xpv n ASP 10 N -3.96 2.23 -4.27 2.28 -0.08 -1.26 -4.90 116.55 106.59 1xpv n ASP 10 Ca -0.02 0.81 -0.36 0.00 -1.51 0.00 0.00 54.79 53.70 1xpv n ASP 10 Cb 0.17 -1.17 -0.13 0.00 2.34 0.00 0.00 41.12 42.32 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 4.77 -2.28 0.04 0.00 -0.00 -1.26 -4.85 115.22 111.65 1xpv n HIS 12 Ca -0.14 0.32 -0.05 0.00 -0.00 0.00 0.00 57.72 57.85 1xpv n HIS 12 Cb 0.46 1.07 0.15 0.00 -0.00 0.00 0.00 29.99 31.67 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1xpv h LEU 13 N 0.00 0.43 -0.32 0.27 5.85 -2.00 -2.61 115.31 116.93 1xpv h LEU 13 Ca 0.00 -0.20 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 1xpv h LEU 13 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1xpv h LEU 13 CO 0.00 0.82 -0.80 0.00 -0.34 0.00 0.00 178.44 178.12 1xpv h ASP 15 N 0.28 1.00 0.76 0.00 1.82 -1.81 0.24 116.42 118.70 1xpv h ASP 15 Ca -0.05 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.53 1xpv h ASP 15 Cb 1.40 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1xpv h ASP 15 CO 0.14 0.61 -0.40 1.56 -1.61 0.00 0.00 179.24 179.53 1xpv h GLN 16 N 1.12 0.00 0.04 0.28 4.20 -1.36 -2.52 115.11 116.87 1xpv h GLN 16 Ca 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.16 1xpv h GLN 16 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1xpv h GLN 16 CO -0.20 0.40 -0.02 0.00 -0.67 0.00 0.00 178.83 178.34 1xpv h ALA 17 N 1.60 -0.06 -0.88 3.87 0.00 -0.41 -2.78 119.26 120.61 1xpv h ALA 17 Ca -0.00 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 17 Cb 0.89 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1xpv h ALA 17 CO 0.05 -0.24 0.57 0.28 0.00 0.00 0.00 179.25 179.91 1xpv h VAL 18 N -0.64 0.89 -0.03 0.00 2.07 -0.70 -0.75 116.25 117.09 1xpv h VAL 18 Ca -0.01 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xpv h VAL 18 Cb 0.57 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xpv h VAL 18 CO 0.01 0.14 -0.07 -0.08 0.02 0.00 0.00 177.57 177.59 1xpv h GLU 19 N 0.76 -0.10 -0.92 1.57 4.81 -1.39 0.15 114.58 119.46 1xpv h GLU 19 Ca 0.43 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.69 1xpv h GLU 19 Cb 0.58 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1xpv h GLU 19 CO -0.19 -0.07 0.60 0.00 -0.73 0.00 0.00 179.01 178.63 1xpv h ALA 20 N 0.91 1.40 0.58 2.92 0.00 -0.92 0.19 119.26 124.35 1xpv h ALA 20 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xpv h ALA 20 Cb 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xpv h ALA 20 CO -0.09 0.52 -0.28 -0.07 0.00 0.00 0.00 179.25 179.33 1xpv h LEU 21 N 1.17 -0.66 -0.48 0.00 3.38 -0.32 0.32 115.31 118.71 1xpv h LEU 21 Ca 0.36 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.42 1xpv h LEU 21 Cb -0.02 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1xpv h LEU 21 CO -0.10 -0.47 0.15 0.00 0.09 0.00 0.00 178.44 178.11 1xpv h ALA 22 N -0.37 0.58 -0.67 1.53 0.00 -0.27 0.24 119.26 120.30 1xpv h ALA 22 Ca -0.08 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xpv h ALA 22 Cb 0.60 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1xpv h ALA 22 CO 0.13 -0.24 0.38 1.96 0.00 0.00 0.00 179.25 181.48 1xpv h GLN 23 N 0.32 0.69 0.00 0.00 4.20 -0.36 0.36 115.11 120.31 1xpv h GLN 23 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1xpv h GLN 23 Cb 0.26 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1xpv h GLN 23 CO -0.25 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.36 1xpv n ALA 24 N -2.35 1.84 -3.55 3.87 0.00 0.11 -4.87 120.51 115.56 1xpv n ALA 24 Ca 0.08 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 1xpv n ALA 24 Cb 0.16 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.71 -7.72 -0.27 0.00 1.74 0.13 -4.80 116.66 104.03 1xpv n ARG 25 Ca 0.04 0.82 0.08 0.00 -0.77 0.00 0.00 57.85 58.02 1xpv n ARG 25 Cb 0.24 -5.84 0.22 0.00 -1.02 0.00 0.00 32.46 26.06 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 1.00 1.09 0.00 7.54 0.00 -1.60 -3.48 119.26 123.82 1xpv h ALA 26 Ca -0.56 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xpv h ALA 26 Cb 1.36 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xpv h ALA 26 CO 0.55 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1xpv n GLY 27 N -1.35 0.31 3.92 0.00 0.00 -1.26 -5.02 105.19 101.80 1xpv n GLY 27 Ca 0.16 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.00 3.78 0.17 4.61 0.00 -1.26 -5.00 121.76 122.06 1xpv s ALA 28 Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1xpv s ALA 28 Cb 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1xpv s ALA 28 CO 0.00 0.40 0.44 1.97 0.00 0.00 0.00 175.76 178.56 1xpv n PHE 29 N -0.71 -1.49 -4.45 0.00 1.16 -1.26 -4.67 117.46 106.05 1xpv n PHE 29 Ca -0.04 -0.86 -0.33 0.00 -1.87 0.00 0.00 57.45 54.36 1xpv n PHE 29 Cb 0.54 0.43 -0.10 0.00 -1.61 0.00 0.00 39.48 38.73 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 -5.11 2.95 -0.09 2.97 0.08 -1.13 -4.98 117.98 112.66 1xpv s PHE 30 Ca 0.09 0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 1xpv s PHE 30 Cb -0.02 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1xpv s PHE 30 CO 0.05 0.39 0.02 0.45 -0.10 0.00 0.00 175.22 176.03 1xpv s SER 31 N -1.32 5.40 -0.04 1.36 0.15 -1.26 -3.37 113.70 114.63 1xpv s SER 31 Ca 0.17 0.18 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1xpv s SER 31 Cb -0.11 -1.57 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1xpv s SER 31 CO 0.07 0.37 -0.07 -0.69 1.20 0.00 0.00 173.24 174.12 1xpv s VAL 32 N -0.85 0.67 -0.27 4.45 1.01 -1.25 -5.01 120.40 119.15 1xpv s VAL 32 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 1xpv s VAL 32 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1xpv s VAL 32 CO 0.02 0.24 0.13 -0.36 0.00 0.00 0.00 175.10 175.13 1xpv s PHE 33 N 0.59 3.15 -0.39 5.22 0.08 -1.26 -0.93 117.98 124.45 1xpv s PHE 33 Ca -0.09 -0.19 0.26 0.00 0.12 0.00 0.00 56.93 57.03 1xpv s PHE 33 Cb -0.12 -2.31 1.02 0.00 -0.57 0.00 0.00 43.02 41.04 1xpv s PHE 33 CO 0.01 -0.28 1.77 -0.84 -0.10 0.00 0.00 175.22 175.78 1xpv h ILE 34 N 5.47 0.00 -3.48 0.64 3.07 -1.71 -3.43 117.51 118.08 1xpv h ILE 34 Ca -0.36 -0.34 -0.56 0.00 1.55 0.00 0.00 64.86 65.14 1xpv h ILE 34 Cb 1.18 1.17 0.11 0.00 -0.27 0.00 0.00 36.82 39.01 1xpv h ILE 34 CO 0.57 0.00 0.56 -0.90 -1.05 0.00 0.00 178.15 177.33 1xpv n ASP 35 N -2.44 2.93 0.00 2.16 5.75 -1.26 -2.04 116.55 121.65 1xpv n ASP 35 Ca 0.02 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 56.00 1xpv n ASP 35 Cb 0.28 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 38.85 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1xpv n ASP 36 N 0.60 0.00 -4.56 -1.12 -0.08 -1.26 -4.89 116.55 105.24 1xpv n ASP 36 Ca 0.04 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.93 1xpv n ASP 36 Cb 0.37 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.80 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xpv s ASP 37 N 0.00 5.27 0.26 1.67 1.11 -0.87 -4.80 116.67 119.32 1xpv s ASP 37 Ca 0.00 0.64 0.03 0.00 0.18 0.00 0.00 52.55 53.40 1xpv s ASP 37 Cb 0.00 -2.52 0.35 0.00 1.07 0.00 0.00 42.92 41.82 1xpv s ASP 37 CO 0.00 -2.32 1.66 0.00 1.18 0.00 0.00 175.17 175.69 1xpv h ALA 38 N 15.21 1.00 0.04 5.23 0.00 -1.90 -0.26 119.26 138.58 1xpv h ALA 38 Ca -0.27 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1xpv h ALA 38 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xpv h ALA 38 CO 1.17 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 180.97 1xpv h ALA 39 N 1.25 -0.10 -0.28 0.00 0.00 -1.91 0.68 119.26 118.90 1xpv h ALA 39 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 39 Cb 0.83 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xpv h ALA 39 CO 0.07 -0.57 -0.21 -0.07 0.00 0.00 0.00 179.25 178.46 1xpv h LEU 40 N -0.13 0.52 -0.18 0.00 3.38 -1.83 0.78 115.31 117.85 1xpv h LEU 40 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xpv h LEU 40 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xpv h LEU 40 CO -0.04 0.74 0.06 -0.33 0.09 0.00 0.00 178.44 178.96 1xpv h GLU 41 N 0.47 0.28 0.00 1.13 4.39 -0.30 0.34 114.58 120.88 1xpv h GLU 41 Ca 0.07 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1xpv h GLU 41 Cb 0.63 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1xpv h GLU 41 CO 0.04 0.38 -0.43 1.03 -1.16 0.00 0.00 179.01 178.87 1xpv h SER 42 N 0.12 0.00 -0.17 1.42 0.87 0.55 1.48 113.55 117.83 1xpv h SER 42 Ca 0.06 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1xpv h SER 42 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1xpv h SER 42 CO -0.00 0.43 -0.38 0.00 -0.53 0.00 0.00 176.83 176.34 1xpv h ALA 43 N 1.57 0.27 -0.34 6.23 0.00 -0.43 -3.42 119.26 123.14 1xpv h ALA 43 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpv h ALA 43 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1xpv h ALA 43 CO 0.06 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.33 1xpv n TYR 44 N -4.29 0.00 0.00 0.00 4.01 0.12 -4.93 117.16 112.07 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 2.65 0.45 0.09 2.72 0.00 0.50 -2.12 105.19 109.48 1xpv n GLY 45 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1xpv n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xpv n LEU 46 N 0.00 0.56 -1.83 0.99 7.99 -1.26 -4.10 117.00 119.34 1xpv n LEU 46 Ca 0.00 0.26 -0.16 0.00 -0.01 0.00 0.00 56.01 56.10 1xpv n LEU 46 Cb 0.00 0.28 0.06 0.00 -0.11 0.00 0.00 43.42 43.65 1xpv n LEU 46 CO 0.00 0.41 1.14 0.54 -1.51 0.00 0.00 177.39 177.97 1xpv n ARG 47 N -2.93 1.79 -0.13 3.23 1.74 -0.90 -4.51 116.66 114.95 1xpv n ARG 47 Ca -0.22 -1.62 -0.04 0.00 -0.77 0.00 0.00 57.85 55.20 1xpv n ARG 47 Cb 1.08 -1.64 0.04 0.00 -1.02 0.00 0.00 32.46 30.92 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xpv h VAL 48 N 0.86 0.69 -0.30 1.55 2.07 -1.81 -3.18 116.25 116.12 1xpv h VAL 48 Ca 0.31 -0.04 -0.60 0.00 0.82 0.00 0.00 66.70 67.19 1xpv h VAL 48 Cb 1.21 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1xpv h VAL 48 CO 0.74 0.02 2.23 -0.81 0.02 0.00 0.00 177.57 179.76 1xpv n PRO 49 N -5.19 2.27 -4.55 1.57 -0.04 -1.24 -4.01 135.00 123.81 1xpv n PRO 49 Ca 0.03 -2.52 -0.31 0.00 -0.04 0.00 0.00 63.50 60.67 1xpv n PRO 49 Cb 0.22 -3.33 -0.17 0.00 -0.04 0.00 0.00 33.50 30.19 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 5.70 1.86 -0.18 0.52 1.01 -1.20 -4.12 120.40 123.98 1xpv s VAL 50 Ca 0.56 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1xpv s VAL 50 Cb 0.09 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1xpv s VAL 50 CO 0.06 0.51 0.35 -0.22 0.00 0.00 0.00 175.10 175.80 1xpv s LEU 51 N 0.92 4.19 0.10 3.92 0.20 -1.24 -2.73 118.68 124.04 1xpv s LEU 51 Ca -0.06 0.50 0.07 0.00 0.69 0.00 0.00 54.13 55.33 1xpv s LEU 51 Cb -0.15 -2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1xpv s LEU 51 CO -0.03 -0.00 -0.17 -0.60 -0.29 0.00 0.00 176.35 175.26 1xpv s ARG 52 N 0.97 0.99 0.39 1.98 3.52 -0.69 -0.30 118.95 125.82 1xpv s ARG 52 Ca 0.18 -1.10 0.08 0.00 -0.13 0.00 0.00 55.73 54.75 1xpv s ARG 52 Cb -0.14 -1.08 -0.02 0.00 -1.56 0.00 0.00 34.95 32.15 1xpv s ARG 52 CO 0.07 0.24 0.35 -0.51 -0.81 0.00 0.00 175.30 174.63 1xpv s ASP 53 N -1.97 5.12 0.29 -2.12 1.11 0.46 -1.29 116.67 118.28 1xpv s ASP 53 Ca 0.04 -0.66 0.14 0.00 0.18 0.00 0.00 52.55 52.25 1xpv s ASP 53 Cb -0.09 -0.70 0.35 0.00 1.07 0.00 0.00 42.92 43.54 1xpv s ASP 53 CO 0.03 -0.55 1.58 1.55 1.18 0.00 0.00 175.17 178.96 1xpv h PRO 54 N 1.10 0.00 -0.43 8.23 0.13 -1.80 -3.21 132.00 136.02 1xpv h PRO 54 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1xpv h PRO 54 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1xpv h PRO 54 CO 0.58 0.55 0.14 0.52 -0.23 0.00 0.00 178.00 179.56 1xpv h MET 55 N 0.00 0.66 0.00 0.86 2.86 -1.92 -3.47 114.93 113.93 1xpv h MET 55 Ca -0.01 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1xpv h MET 55 Cb 1.18 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1xpv h MET 55 CO 0.07 0.64 0.00 0.41 1.06 0.00 0.00 176.91 179.10 1xpv n GLY 56 N -0.68 0.41 3.09 8.32 0.00 -1.21 -5.15 105.19 109.97 1xpv n GLY 56 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.58 0.15 1.61 0.52 -1.26 -4.97 118.95 115.58 1xpv s ARG 57 Ca 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1xpv s ARG 57 Cb 0.00 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 1xpv s ARG 57 CO 0.00 -0.13 0.04 -1.83 0.02 0.00 0.00 175.30 173.40 1xpv s GLU 58 N -3.19 1.01 0.08 3.54 4.04 -1.26 0.17 118.70 123.09 1xpv s GLU 58 Ca 0.00 -1.48 0.09 0.00 0.04 0.00 0.00 54.97 53.62 1xpv s GLU 58 Cb 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 34.13 34.18 1xpv s GLU 58 CO -0.07 -0.21 -0.24 -1.17 -1.84 0.00 0.00 175.26 171.73 1xpv s LEU 59 N -3.10 2.23 0.42 1.83 2.96 0.60 -4.97 118.68 118.64 1xpv s LEU 59 Ca 0.24 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.26 1xpv s LEU 59 Cb 0.07 -1.10 -0.09 0.00 0.50 0.00 0.00 46.19 45.57 1xpv s LEU 59 CO 0.03 0.17 1.43 -0.62 -1.32 0.00 0.00 176.35 176.04 1xpv s ASP 60 N -1.54 6.09 0.19 3.68 -1.08 -1.26 -3.65 116.67 119.10 1xpv s ASP 60 Ca 0.10 2.93 -0.19 0.00 -0.52 0.00 0.00 52.55 54.86 1xpv s ASP 60 Cb -0.10 -2.66 0.15 0.00 -1.46 0.00 0.00 42.92 38.86 1xpv s ASP 60 CO 0.03 -1.03 1.59 -0.25 0.52 0.00 0.00 175.17 176.03 1xpv h TRP 61 N 2.61 -0.83 -3.23 -5.34 -0.00 -1.98 -3.34 115.95 103.83 1xpv h TRP 61 Ca -0.51 0.07 -0.57 0.00 -0.00 0.00 0.00 58.89 57.89 1xpv h TRP 61 Cb 1.25 0.46 -0.05 0.00 -0.00 0.00 0.00 29.16 30.82 1xpv h TRP 61 CO 0.51 -0.37 1.05 -1.25 -0.00 0.00 0.00 178.44 178.39 1xpv s PRO 62 N -6.04 3.66 0.12 2.65 0.04 -1.26 -4.94 135.00 129.23 1xpv s PRO 62 Ca -0.14 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 1xpv s PRO 62 Cb 0.17 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.72 1xpv s PRO 62 CO 0.70 -1.46 0.17 1.97 0.04 0.00 0.00 177.00 178.43 1xpv n PHE 63 N 8.54 -0.87 -4.19 0.56 1.16 -1.26 -5.12 117.46 116.28 1xpv n PHE 63 Ca 0.16 -0.73 -0.09 0.00 -1.87 0.00 0.00 57.45 54.92 1xpv n PHE 63 Cb 0.48 0.20 -0.02 0.00 -1.61 0.00 0.00 39.48 38.52 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 -1.84 1.35 -0.05 5.98 9.92 -1.26 -4.98 116.55 125.66 1xpv n ASP 64 Ca -0.00 -1.74 -0.14 0.00 -0.53 0.00 0.00 54.79 52.38 1xpv n ASP 64 Cb 0.19 0.30 -0.12 0.00 -0.64 0.00 0.00 41.12 40.85 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpv h ALA 65 N 1.20 0.00 0.00 2.24 0.00 -1.96 -0.92 119.26 119.81 1xpv h ALA 65 Ca -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1xpv h ALA 65 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xpv h ALA 65 CO 0.18 -0.07 -0.18 -1.00 0.00 0.00 0.00 179.25 178.19 1xpv h PRO 66 N -0.84 0.00 0.06 0.00 0.13 -1.95 -0.52 132.00 128.88 1xpv h PRO 66 Ca -0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1xpv h PRO 66 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1xpv h PRO 66 CO 0.00 0.18 -1.25 -0.09 -0.23 0.00 0.00 178.00 176.61 1xpv h ARG 67 N 0.00 0.12 0.21 0.86 2.43 -1.96 -1.24 114.38 114.80 1xpv h ARG 67 Ca -0.00 -0.21 -0.32 0.00 -0.81 0.00 0.00 59.98 58.63 1xpv h ARG 67 Cb 0.89 0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1xpv h ARG 67 CO 0.02 1.02 -1.41 1.25 -1.51 0.00 0.00 179.97 179.35 1xpv h LEU 68 N 0.03 0.82 -0.07 3.80 5.85 -1.05 -2.80 115.31 121.89 1xpv h LEU 68 Ca -0.12 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.72 1xpv h LEU 68 Cb 1.90 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 1xpv h LEU 68 CO 0.15 1.66 -0.08 -0.09 -0.34 0.00 0.00 178.44 179.73 1xpv h ARG 69 N 0.17 0.18 -0.30 1.25 1.12 -1.19 -0.99 114.38 114.62 1xpv h ARG 69 Ca -0.23 -0.10 0.07 0.00 -1.11 0.00 0.00 59.98 58.61 1xpv h ARG 69 Cb 2.09 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 32.05 1xpv h ARG 69 CO 0.26 0.64 0.21 0.00 -3.11 0.00 0.00 179.97 177.98 1xpv h ALA 70 N 0.54 2.18 -0.07 2.80 0.00 -1.34 0.24 119.26 123.62 1xpv h ALA 70 Ca 0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1xpv h ALA 70 Cb 0.61 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xpv h ALA 70 CO 0.02 -0.26 -0.89 2.35 0.00 0.00 0.00 179.25 180.47 1xpv h TRP 71 N 0.08 0.92 -0.23 0.00 7.01 -1.30 -0.48 115.95 121.95 1xpv h TRP 71 Ca 0.14 -0.46 -0.00 0.00 2.11 0.00 0.00 58.89 60.68 1xpv h TRP 71 Cb 0.46 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1xpv h TRP 71 CO -0.00 1.28 0.12 -0.07 -2.79 0.00 0.00 178.44 176.98 1xpv h LEU 72 N 0.41 0.29 -1.03 0.65 3.38 0.72 -2.20 115.31 117.53 1xpv h LEU 72 Ca -0.08 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1xpv h LEU 72 Cb 1.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1xpv h LEU 72 CO 0.17 0.29 -0.16 0.44 0.09 0.00 0.00 178.44 179.27 1xpv h ASP 73 N 0.26 0.50 -0.21 -0.43 3.32 -0.76 -1.71 116.42 117.39 1xpv h ASP 73 Ca 0.08 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.05 1xpv h ASP 73 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1xpv h ASP 73 CO -0.01 0.68 0.45 0.00 -1.72 0.00 0.00 179.24 178.64 1xpv h ALA 74 N 1.37 1.75 -0.99 3.45 0.00 -0.43 -3.43 119.26 120.98 1xpv h ALA 74 Ca 0.08 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.30 1xpv h ALA 74 Cb 0.56 0.02 0.10 0.00 0.00 0.00 0.00 17.79 18.46 1xpv h ALA 74 CO 0.04 -0.55 -0.41 0.00 0.00 0.00 0.00 179.25 178.32 1xpv n ALA 75 N -2.06 -3.00 -1.53 0.00 0.00 -0.65 -4.91 120.51 108.36 1xpv n ALA 75 Ca 0.03 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1xpv n ALA 75 Cb 0.55 -1.62 0.15 0.00 0.00 0.00 0.00 19.45 18.53 1xpv n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xpv s PRO 76 N -0.80 0.93 -0.01 0.00 0.04 -1.26 -4.54 135.00 129.36 1xpv s PRO 76 Ca 0.68 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 1xpv s PRO 76 Cb -0.98 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1xpv s PRO 76 CO 0.55 -2.32 0.02 0.72 0.04 0.00 0.00 177.00 176.02 1xpv n HIS 77 N -3.84 -0.09 -0.86 0.56 8.25 -1.26 -5.10 115.22 112.88 1xpv n HIS 77 Ca 0.08 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1xpv n HIS 77 Cb 0.59 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.76 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98