#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 -0.36 -5.12 0.00 -1.26 -4.99 120.51 108.78 1xpv n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1xpv n ALA 2 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.15 -0.28 0.00 1.43 -1.26 -4.57 118.68 112.84 1xpv s LEU 3 Ca 0.00 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1xpv s LEU 3 Cb 0.00 -2.27 0.17 0.00 0.03 0.00 0.00 46.19 44.12 1xpv s LEU 3 CO 0.00 -5.41 0.50 -0.89 0.23 0.00 0.00 176.35 170.78 1xpv s THR 4 N -2.26 -0.82 -0.44 5.49 2.01 -1.16 -2.63 115.64 115.83 1xpv s THR 4 Ca 0.69 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 1xpv s THR 4 Cb -0.13 -0.94 0.07 0.00 0.01 0.00 0.00 72.50 71.51 1xpv s THR 4 CO 0.58 -0.08 0.33 -0.22 -0.69 0.00 0.00 174.62 174.54 1xpv s LEU 5 N 2.71 5.39 0.25 4.42 2.96 -1.12 -2.51 118.68 130.78 1xpv s LEU 5 Ca 0.15 -1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 1xpv s LEU 5 Cb -0.14 -2.09 -0.10 0.00 0.50 0.00 0.00 46.19 44.36 1xpv s LEU 5 CO -0.22 -0.59 1.46 -0.31 -1.32 0.00 0.00 176.35 175.38 1xpv s TYR 6 N 1.54 2.98 -0.27 5.38 2.02 -1.16 -3.69 117.35 124.15 1xpv s TYR 6 Ca 0.03 0.99 -0.26 0.00 -0.37 0.00 0.00 57.07 57.47 1xpv s TYR 6 Cb -0.24 -3.85 0.14 0.00 -0.40 0.00 0.00 41.96 37.61 1xpv s TYR 6 CO 0.04 -2.79 1.10 1.14 -1.57 0.00 0.00 175.55 173.48 1xpv s GLN 7 N -0.38 0.43 -0.21 -0.62 1.03 0.12 -3.67 119.66 116.37 1xpv s GLN 7 Ca 0.60 0.43 -0.04 0.00 0.04 0.00 0.00 55.36 56.38 1xpv s GLN 7 Cb -0.43 0.21 0.08 0.00 0.03 0.00 0.00 33.01 32.90 1xpv s GLN 7 CO 0.44 -0.07 0.14 -0.98 -2.54 0.00 0.00 175.29 172.28 1xpv s ARG 8 N -0.04 0.13 -0.04 9.60 1.70 -1.26 -3.54 118.95 125.49 1xpv s ARG 8 Ca 0.03 -0.11 -0.00 0.00 -0.47 0.00 0.00 55.73 55.18 1xpv s ARG 8 Cb -0.04 -1.50 0.00 0.00 -0.57 0.00 0.00 34.95 32.84 1xpv s ARG 8 CO -0.07 -0.76 0.00 -3.47 -1.08 0.00 0.00 175.30 169.93 1xpv n ASP 9 N 5.28 -6.75 -3.63 -2.89 -0.08 -1.26 -4.97 116.55 102.25 1xpv n ASP 9 Ca -0.06 0.60 -0.16 0.00 -1.51 0.00 0.00 54.79 53.66 1xpv n ASP 9 Cb 0.48 -2.10 -0.07 0.00 2.34 0.00 0.00 41.12 41.76 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xpv s ASP 10 N -0.97 -0.48 -0.40 1.67 2.15 -1.26 -5.08 116.67 112.29 1xpv s ASP 10 Ca -0.00 0.53 0.10 0.00 0.43 0.00 0.00 52.55 53.60 1xpv s ASP 10 Cb 0.00 0.52 0.31 0.00 -0.30 0.00 0.00 42.92 43.46 1xpv s ASP 10 CO 0.11 -0.50 0.76 0.00 -0.17 0.00 0.00 175.17 175.37 1xpv n HIS 12 N 0.67 -0.02 -0.25 0.00 -0.00 -1.26 -4.85 115.22 109.50 1xpv n HIS 12 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.85 1xpv n HIS 12 Cb 0.63 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.67 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 0.95 -0.03 0.27 5.85 -1.98 0.65 115.31 121.02 1xpv h LEU 13 Ca 0.00 -0.16 -0.25 0.00 0.84 0.00 0.00 57.88 58.31 1xpv h LEU 13 Cb 0.00 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 40.80 1xpv h LEU 13 CO 0.00 0.85 -0.94 0.00 -0.34 0.00 0.00 178.44 178.01 1xpv h ASP 15 N 0.37 -0.10 0.02 0.00 1.82 -1.74 0.34 116.42 117.13 1xpv h ASP 15 Ca -0.11 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1xpv h ASP 15 Cb 1.60 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.65 1xpv h ASP 15 CO 0.19 -0.05 -0.02 1.56 -1.61 0.00 0.00 179.24 179.31 1xpv h GLN 16 N -0.05 0.00 0.03 0.28 4.20 0.28 0.20 115.11 120.04 1xpv h GLN 16 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1xpv h GLN 16 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1xpv h GLN 16 CO -0.05 0.02 -0.02 0.00 -0.67 0.00 0.00 178.83 178.12 1xpv h ALA 17 N 1.98 -0.04 -0.52 3.87 0.00 -0.67 -2.47 119.26 121.41 1xpv h ALA 17 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1xpv h ALA 17 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xpv h ALA 17 CO 0.00 -0.19 0.34 0.28 0.00 0.00 0.00 179.25 179.69 1xpv h VAL 18 N -0.71 1.13 0.11 0.00 2.07 0.20 -1.24 116.25 117.81 1xpv h VAL 18 Ca -0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xpv h VAL 18 Cb 0.64 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1xpv h VAL 18 CO 0.01 0.13 -0.05 -0.08 0.02 0.00 0.00 177.57 177.59 1xpv h GLU 19 N 0.70 -0.14 -0.96 1.57 4.22 -0.60 0.11 114.58 119.47 1xpv h GLU 19 Ca 0.19 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.67 1xpv h GLU 19 Cb -0.08 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1xpv h GLU 19 CO -0.04 -0.07 0.63 0.00 -2.18 0.00 0.00 179.01 177.35 1xpv h ALA 20 N 0.72 1.38 0.67 2.92 0.00 -0.92 0.28 119.26 124.31 1xpv h ALA 20 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xpv h ALA 20 Cb 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xpv h ALA 20 CO 0.02 0.53 -0.32 -0.07 0.00 0.00 0.00 179.25 179.41 1xpv h LEU 21 N 1.21 -0.76 -0.48 0.00 3.38 -0.72 0.42 115.31 118.36 1xpv h LEU 21 Ca 0.38 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.45 1xpv h LEU 21 Cb 0.00 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1xpv h LEU 21 CO -0.12 -0.54 0.15 0.00 0.09 0.00 0.00 178.44 178.02 1xpv h ALA 22 N -0.57 0.58 -0.80 1.53 0.00 -0.35 0.22 119.26 119.86 1xpv h ALA 22 Ca -0.09 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 22 Cb 0.69 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1xpv h ALA 22 CO 0.15 -0.25 0.49 1.96 0.00 0.00 0.00 179.25 181.60 1xpv h GLN 23 N 0.31 0.89 0.00 0.00 4.20 -0.20 0.36 115.11 120.67 1xpv h GLN 23 Ca 0.24 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1xpv h GLN 23 Cb 0.27 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1xpv h GLN 23 CO -0.26 0.59 0.00 0.00 -0.67 0.00 0.00 178.83 178.49 1xpv n ALA 24 N -2.34 1.97 -3.70 3.87 0.00 0.15 -4.87 120.51 115.58 1xpv n ALA 24 Ca 0.10 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 1xpv n ALA 24 Cb 0.15 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.46 -7.19 0.06 0.00 5.12 0.13 -4.86 116.66 108.45 1xpv n ARG 25 Ca 0.06 0.75 -0.13 0.00 -1.93 0.00 0.00 57.85 56.60 1xpv n ARG 25 Cb 0.23 -5.76 -0.06 0.00 -1.16 0.00 0.00 32.46 25.71 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xpv h ALA 26 N 1.00 -0.62 0.00 7.54 0.00 -1.61 -3.49 119.26 122.09 1xpv h ALA 26 Ca -0.57 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xpv h ALA 26 Cb 1.37 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1xpv h ALA 26 CO 0.60 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1xpv n GLY 27 N -1.44 0.17 3.89 0.00 0.00 -1.26 -5.06 105.19 101.48 1xpv n GLY 27 Ca -0.06 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.66 3.49 0.15 4.61 0.00 -1.26 -5.00 121.76 122.09 1xpv s ALA 28 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1xpv s ALA 28 Cb 0.00 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.64 1xpv s ALA 28 CO 0.00 0.14 0.34 1.97 0.00 0.00 0.00 175.76 178.20 1xpv n PHE 29 N -1.07 -1.48 -4.85 0.00 1.16 -1.26 -4.51 117.46 105.44 1xpv n PHE 29 Ca 0.00 -0.74 -0.30 0.00 -1.87 0.00 0.00 57.45 54.54 1xpv n PHE 29 Cb 0.54 0.37 -0.14 0.00 -1.61 0.00 0.00 39.48 38.63 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 -5.95 2.41 -0.11 2.97 0.40 -1.08 -4.97 117.98 111.66 1xpv s PHE 30 Ca 0.07 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1xpv s PHE 30 Cb -0.02 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1xpv s PHE 30 CO 0.05 0.16 0.08 0.45 0.70 0.00 0.00 175.22 176.65 1xpv s SER 31 N -1.24 5.89 -0.01 1.36 0.15 -1.26 -2.79 113.70 115.79 1xpv s SER 31 Ca 0.13 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.12 1xpv s SER 31 Cb -0.10 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1xpv s SER 31 CO 0.03 0.39 -0.05 -0.69 1.20 0.00 0.00 173.24 174.12 1xpv s VAL 32 N -0.96 0.42 -0.24 4.45 1.01 -1.24 -5.00 120.40 118.84 1xpv s VAL 32 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1xpv s VAL 32 Cb -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1xpv s VAL 32 CO 0.03 0.13 0.12 -0.36 0.00 0.00 0.00 175.10 175.02 1xpv s PHE 33 N 0.08 3.21 -0.67 5.22 0.08 -1.23 0.16 117.98 124.84 1xpv s PHE 33 Ca -0.01 -0.02 0.26 0.00 0.12 0.00 0.00 56.93 57.28 1xpv s PHE 33 Cb -0.04 -2.24 0.86 0.00 -0.57 0.00 0.00 43.02 41.03 1xpv s PHE 33 CO -0.00 -0.08 1.76 0.44 -0.10 0.00 0.00 175.22 177.24 1xpv n ILE 34 N 4.44 0.65 -1.67 0.64 -5.35 -1.26 -4.76 119.36 112.05 1xpv n ILE 34 Ca -0.15 -0.16 -0.37 0.00 -0.27 0.00 0.00 62.75 61.79 1xpv n ILE 34 Cb 0.52 -0.73 0.06 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.26 1.43 0.00 7.28 5.68 -1.26 -2.36 116.55 125.06 1xpv n ASP 35 Ca 0.05 0.82 0.00 0.00 -0.50 0.00 0.00 54.79 55.16 1xpv n ASP 35 Cb 0.38 -1.47 0.00 0.00 -1.14 0.00 0.00 41.12 38.89 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1xpv n ASP 36 N -1.26 0.00 -4.56 -1.12 2.03 -1.26 -4.88 116.55 105.50 1xpv n ASP 36 Ca 0.14 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.06 1xpv n ASP 36 Cb 0.47 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1xpv s ASP 37 N 0.00 5.50 0.28 1.67 1.01 -0.99 -4.81 116.67 119.33 1xpv s ASP 37 Ca 0.00 0.44 0.04 0.00 0.71 0.00 0.00 52.55 53.75 1xpv s ASP 37 Cb 0.00 -2.53 0.42 0.00 1.01 0.00 0.00 42.92 41.81 1xpv s ASP 37 CO 0.00 -2.18 1.69 0.00 0.21 0.00 0.00 175.17 174.90 1xpv h ALA 38 N 13.98 1.08 0.13 5.23 0.00 -1.90 0.34 119.26 138.12 1xpv h ALA 38 Ca -0.27 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1xpv h ALA 38 Cb 1.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xpv h ALA 38 CO 1.19 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 180.95 1xpv h ALA 39 N 1.32 -0.19 -0.49 0.00 0.00 -1.92 0.54 119.26 118.52 1xpv h ALA 39 Ca 0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1xpv h ALA 39 Cb 0.78 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xpv h ALA 39 CO 0.06 -0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 178.55 1xpv h LEU 40 N -0.19 0.88 -0.44 0.00 3.38 -1.82 0.68 115.31 117.79 1xpv h LEU 40 Ca -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xpv h LEU 40 Cb 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xpv h LEU 40 CO 0.02 0.99 0.28 -0.33 0.09 0.00 0.00 178.44 179.49 1xpv h GLU 41 N 0.81 0.59 0.00 1.13 4.39 -0.45 0.85 114.58 121.89 1xpv h GLU 41 Ca 0.14 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1xpv h GLU 41 Cb 0.60 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1xpv h GLU 41 CO 0.04 0.42 -0.51 1.03 -1.16 0.00 0.00 179.01 178.82 1xpv h SER 42 N 0.59 0.00 -0.07 1.42 0.87 0.30 1.46 113.55 118.12 1xpv h SER 42 Ca 0.16 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.48 1xpv h SER 42 Cb -0.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1xpv h SER 42 CO -0.03 0.51 -0.89 0.00 -0.53 0.00 0.00 176.83 175.89 1xpv h ALA 43 N 1.49 0.24 -0.85 6.23 0.00 -0.04 -3.43 119.26 122.90 1xpv h ALA 43 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xpv h ALA 43 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xpv h ALA 43 CO 0.07 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1xpv n TYR 44 N -3.90 0.00 0.00 0.00 4.01 0.29 -4.91 117.16 112.65 1xpv n TYR 44 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1xpv n TYR 44 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 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 2.76 0.33 0.08 2.72 0.00 0.50 -1.79 105.19 109.80 1xpv n GLY 45 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 0.53 -2.06 0.99 7.99 -1.26 -4.11 117.00 119.08 1xpv n LEU 46 Ca 0.00 0.23 -0.24 0.00 -0.01 0.00 0.00 56.01 55.99 1xpv n LEU 46 Cb 0.00 0.12 0.06 0.00 -0.11 0.00 0.00 43.42 43.49 1xpv n LEU 46 CO 0.00 0.13 1.30 0.54 -1.51 0.00 0.00 177.39 177.85 1xpv n ARG 47 N -2.70 2.15 -0.03 3.23 3.00 -0.74 -4.56 116.66 117.01 1xpv n ARG 47 Ca -0.11 -2.26 -0.09 0.00 -0.01 0.00 0.00 57.85 55.38 1xpv n ARG 47 Cb 0.80 -1.89 -0.03 0.00 0.00 0.00 0.00 32.46 31.35 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 0.98 0.79 -0.27 1.55 2.07 -1.81 -3.23 116.25 116.33 1xpv h VAL 48 Ca 0.42 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.33 1xpv h VAL 48 Cb 0.96 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1xpv h VAL 48 CO 1.08 0.00 2.27 -0.81 0.02 0.00 0.00 177.57 180.13 1xpv n PRO 49 N -5.20 2.25 -5.00 1.57 -0.04 -1.24 -4.06 135.00 123.27 1xpv n PRO 49 Ca -0.03 -2.48 -0.32 0.00 -0.04 0.00 0.00 63.50 60.63 1xpv n PRO 49 Cb 0.13 -3.31 -0.16 0.00 -0.04 0.00 0.00 33.50 30.12 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 5.56 2.55 -0.36 0.52 1.01 -1.22 -3.95 120.40 124.52 1xpv s VAL 50 Ca 0.56 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1xpv s VAL 50 Cb 0.09 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1xpv s VAL 50 CO 0.06 0.54 0.49 -0.22 0.00 0.00 0.00 175.10 175.97 1xpv s LEU 51 N 0.30 4.41 0.31 3.92 2.96 -1.21 -3.00 118.68 126.37 1xpv s LEU 51 Ca -0.14 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.73 1xpv s LEU 51 Cb -0.17 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1xpv s LEU 51 CO 0.07 -0.48 0.07 0.00 -1.32 0.00 0.00 176.35 174.69 1xpv s ARG 52 N 2.33 2.32 0.26 1.98 1.70 -1.04 0.10 118.95 126.60 1xpv s ARG 52 Ca 0.17 -1.50 0.04 0.00 -0.47 0.00 0.00 55.73 53.97 1xpv s ARG 52 Cb -0.16 -2.15 -0.06 0.00 -0.57 0.00 0.00 34.95 32.02 1xpv s ARG 52 CO 0.13 0.23 -0.01 0.16 -1.08 0.00 0.00 175.30 174.73 1xpv s ASP 53 N -3.76 2.18 0.45 -2.89 -4.77 0.25 -2.98 116.67 105.15 1xpv s ASP 53 Ca 0.35 -1.24 0.28 0.00 -3.30 0.00 0.00 52.55 48.64 1xpv s ASP 53 Cb -0.04 -0.05 0.87 0.00 -1.09 0.00 0.00 42.92 42.61 1xpv s ASP 53 CO 0.21 -0.48 1.79 1.55 0.70 0.00 0.00 175.17 178.94 1xpv h PRO 54 N 2.36 0.00 -0.64 2.11 0.13 -1.88 -3.13 132.00 130.95 1xpv h PRO 54 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1xpv h PRO 54 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1xpv h PRO 54 CO 0.66 0.00 0.05 0.52 -0.23 0.00 0.00 178.00 179.00 1xpv h MET 55 N 0.00 1.10 0.00 0.86 2.86 -1.98 -3.47 114.93 114.31 1xpv h MET 55 Ca 0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1xpv h MET 55 Cb 0.71 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1xpv h MET 55 CO 0.00 1.03 0.00 0.41 1.06 0.00 0.00 176.91 179.41 1xpv n GLY 56 N -0.49 0.94 3.09 8.32 0.00 -1.18 -5.16 105.19 110.71 1xpv n GLY 56 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 0.60 0.23 1.61 0.52 -1.26 -5.01 118.95 115.65 1xpv s ARG 57 Ca 0.00 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.07 1xpv s ARG 57 Cb 0.00 0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 1xpv s ARG 57 CO 0.00 -0.11 0.03 -1.83 0.02 0.00 0.00 175.30 173.41 1xpv s GLU 58 N -3.74 1.34 0.07 3.54 4.04 -1.26 -0.58 118.70 122.12 1xpv s GLU 58 Ca 0.05 -1.69 0.08 0.00 0.04 0.00 0.00 54.97 53.45 1xpv s GLU 58 Cb 0.07 -0.45 -0.03 0.00 0.02 0.00 0.00 34.13 33.73 1xpv s GLU 58 CO -0.09 -0.17 -0.22 -1.17 -1.84 0.00 0.00 175.26 171.76 1xpv s LEU 59 N -3.29 2.23 0.48 1.83 2.96 0.29 -4.96 118.68 118.21 1xpv s LEU 59 Ca 0.31 -0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 1xpv s LEU 59 Cb 0.07 -1.02 -0.08 0.00 0.50 0.00 0.00 46.19 45.66 1xpv s LEU 59 CO 0.10 0.14 1.29 -0.90 -1.32 0.00 0.00 176.35 175.66 1xpv n ASP 60 N 1.46 2.54 0.23 3.68 5.75 -1.26 -3.34 116.55 125.60 1xpv n ASP 60 Ca -0.18 1.05 -0.17 0.00 -0.01 0.00 0.00 54.79 55.48 1xpv n ASP 60 Cb 0.53 -1.53 -0.09 0.00 -1.03 0.00 0.00 41.12 39.01 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1xpv h TRP 61 N 1.79 -1.23 -2.83 2.11 -0.00 -1.95 -3.37 115.95 110.47 1xpv h TRP 61 Ca -0.49 0.01 -0.55 0.00 -0.00 0.00 0.00 58.89 57.87 1xpv h TRP 61 Cb 1.30 0.49 -0.05 0.00 -0.00 0.00 0.00 29.16 30.90 1xpv h TRP 61 CO 0.46 -0.59 1.13 -1.25 -0.00 0.00 0.00 178.44 178.19 1xpv s PRO 62 N -5.91 3.30 0.05 2.65 0.04 -1.26 -4.94 135.00 128.93 1xpv s PRO 62 Ca -0.17 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.50 1xpv s PRO 62 Cb 0.06 -4.13 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 1xpv s PRO 62 CO 0.62 -1.93 0.05 1.97 0.04 0.00 0.00 177.00 177.75 1xpv n PHE 63 N 9.75 -0.22 -4.14 0.56 1.16 -1.26 -5.13 117.46 118.17 1xpv n PHE 63 Ca 0.14 -0.43 -0.07 0.00 -1.87 0.00 0.00 57.45 55.23 1xpv n PHE 63 Cb 0.49 0.05 -0.02 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.64 1.51 -0.06 5.98 8.00 -1.26 -4.98 116.55 123.10 1xpv n ASP 64 Ca 0.01 -1.53 -0.14 0.00 0.71 0.00 0.00 54.79 53.84 1xpv n ASP 64 Cb 0.10 0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.13 -0.00 0.00 2.24 0.00 -1.96 -1.11 119.26 119.55 1xpv h ALA 65 Ca -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1xpv h ALA 65 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xpv h ALA 65 CO 0.14 -0.06 -0.10 -1.00 0.00 0.00 0.00 179.25 178.23 1xpv h PRO 66 N -0.87 0.00 0.04 0.00 0.13 -1.95 -0.81 132.00 128.55 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 0.87 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1xpv h PRO 66 CO 0.00 0.10 -1.30 -0.09 -0.23 0.00 0.00 178.00 176.48 1xpv h ARG 67 N 0.00 0.09 0.21 0.86 2.43 -1.96 -1.48 114.38 114.53 1xpv h ARG 67 Ca -0.00 -0.16 -0.32 0.00 -0.81 0.00 0.00 59.98 58.69 1xpv h ARG 67 Cb 0.82 0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1xpv h ARG 67 CO 0.01 0.95 -1.40 1.25 -1.51 0.00 0.00 179.97 179.28 1xpv h LEU 68 N 0.02 0.81 -0.01 3.80 5.85 -1.08 -2.78 115.31 121.93 1xpv h LEU 68 Ca -0.13 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.74 1xpv h LEU 68 Cb 1.90 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 1xpv h LEU 68 CO 0.14 1.65 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.78 1xpv h ARG 69 N 0.17 0.03 -0.40 1.25 9.65 -1.25 -1.15 114.38 122.69 1xpv h ARG 69 Ca -0.23 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.73 1xpv h ARG 69 Cb 2.09 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.65 1xpv h ARG 69 CO 0.26 0.56 0.28 0.00 2.80 0.00 0.00 179.97 183.87 1xpv h ALA 70 N 0.47 2.28 -0.07 2.80 0.00 -1.39 0.36 119.26 123.71 1xpv h ALA 70 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1xpv h ALA 70 Cb 0.56 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xpv h ALA 70 CO 0.00 -0.38 -0.85 2.35 0.00 0.00 0.00 179.25 180.37 1xpv h TRP 71 N 0.07 0.85 -0.32 0.00 7.01 -1.33 -0.96 115.95 121.28 1xpv h TRP 71 Ca 0.19 -0.41 -0.02 0.00 2.11 0.00 0.00 58.89 60.76 1xpv h TRP 71 Cb 0.65 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1xpv h TRP 71 CO -0.00 1.22 0.13 -0.07 -2.79 0.00 0.00 178.44 176.94 1xpv h LEU 72 N 0.39 0.43 0.00 0.65 3.38 0.86 -0.42 115.31 120.60 1xpv h LEU 72 Ca -0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1xpv h LEU 72 Cb 1.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1xpv h LEU 72 CO 0.16 0.47 0.00 0.47 0.09 0.00 0.00 178.44 179.63 1xpv n ASP 73 N -4.73 0.00 0.07 -0.43 8.00 0.48 -2.08 116.55 117.86 1xpv n ASP 73 Ca -0.02 0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.70 1xpv n ASP 73 Cb 0.13 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 1xpv n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv n ALA 74 N -1.35 2.71 -0.08 2.24 0.00 -0.33 -4.16 120.51 119.54 1xpv n ALA 74 Ca 0.10 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.17 1xpv n ALA 74 Cb 0.21 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1xpv n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpv h ALA 75 N 2.11 -0.07 -1.97 0.00 0.00 -0.57 -3.41 119.26 115.35 1xpv h ALA 75 Ca 0.00 0.10 -0.43 0.00 0.00 0.00 0.00 54.91 54.58 1xpv h ALA 75 Cb 0.94 0.53 0.18 0.00 0.00 0.00 0.00 17.79 19.45 1xpv h ALA 75 CO 0.00 -0.65 0.28 -1.25 0.00 0.00 0.00 179.25 177.63 1xpv s PRO 76 N -6.08 -0.44 -0.33 0.00 0.04 -1.26 -3.86 135.00 123.07 1xpv s PRO 76 Ca -0.15 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1xpv s PRO 76 Cb 0.13 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1xpv s PRO 76 CO 0.69 -3.15 0.00 1.58 0.04 0.00 0.00 177.00 176.15 1xpv n HIS 77 N -4.31 0.00 0.00 0.56 -0.00 -1.26 -5.05 115.22 105.16 1xpv n HIS 77 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1xpv n HIS 77 Cb 0.59 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.80 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34