#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv s ALA 2 N 0.00 -1.04 1.17 3.17 0.00 -1.26 -4.99 121.76 118.81 1xpv s ALA 2 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1xpv s ALA 2 Cb 0.00 0.70 0.27 0.00 0.00 0.00 0.00 23.12 24.10 1xpv s ALA 2 CO 0.00 -1.01 1.14 -0.51 0.00 0.00 0.00 175.76 175.37 1xpv s LEU 3 N -3.22 0.96 -0.26 0.00 1.43 -1.26 -4.44 118.68 111.89 1xpv s LEU 3 Ca 0.18 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1xpv s LEU 3 Cb -0.04 -2.37 0.14 0.00 0.03 0.00 0.00 46.19 43.95 1xpv s LEU 3 CO 0.09 -3.93 0.48 -0.89 0.23 0.00 0.00 176.35 172.33 1xpv s THR 4 N -3.12 -0.78 -0.41 5.49 2.01 -1.17 -3.11 115.64 114.55 1xpv s THR 4 Ca 0.71 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 1xpv s THR 4 Cb -0.09 -0.86 0.10 0.00 0.01 0.00 0.00 72.50 71.66 1xpv s THR 4 CO 0.56 -0.03 0.22 -0.22 -0.69 0.00 0.00 174.62 174.46 1xpv s LEU 5 N 2.69 5.16 0.25 4.42 2.96 -1.17 -2.04 118.68 130.96 1xpv s LEU 5 Ca 0.10 -1.79 -0.30 0.00 -0.22 0.00 0.00 54.13 51.92 1xpv s LEU 5 Cb -0.14 -1.89 -0.10 0.00 0.50 0.00 0.00 46.19 44.55 1xpv s LEU 5 CO -0.17 -0.54 1.49 -0.31 -1.32 0.00 0.00 176.35 175.50 1xpv s TYR 6 N 1.27 2.96 -0.15 5.38 2.02 -1.12 -3.76 117.35 123.94 1xpv s TYR 6 Ca 0.05 0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 57.38 1xpv s TYR 6 Cb -0.23 -3.89 0.11 0.00 -0.40 0.00 0.00 41.96 37.55 1xpv s TYR 6 CO -0.02 -2.97 0.92 1.14 -1.57 0.00 0.00 175.55 173.05 1xpv s GLN 7 N -0.25 0.70 -0.04 -0.62 -2.07 0.06 -3.69 119.66 113.75 1xpv s GLN 7 Ca 0.61 0.26 -0.01 0.00 -1.82 0.00 0.00 55.36 54.40 1xpv s GLN 7 Cb -0.43 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 31.84 1xpv s GLN 7 CO 0.43 -0.20 0.03 -0.98 -1.32 0.00 0.00 175.29 173.25 1xpv s ARG 8 N -0.91 0.13 -0.13 9.60 1.70 -1.26 -3.70 118.95 124.38 1xpv s ARG 8 Ca -0.03 0.24 -0.09 0.00 -0.47 0.00 0.00 55.73 55.38 1xpv s ARG 8 Cb -0.01 -0.56 0.03 0.00 -0.57 0.00 0.00 34.95 33.85 1xpv s ARG 8 CO 0.03 -0.26 0.18 -3.47 -1.08 0.00 0.00 175.30 170.69 1xpv n ASP 9 N 4.89 -1.49 -4.67 -2.89 2.03 -1.26 -4.71 116.55 108.44 1xpv n ASP 9 Ca -0.12 1.13 -0.66 0.00 0.52 0.00 0.00 54.79 55.65 1xpv n ASP 9 Cb 0.50 -4.41 -0.10 0.00 -0.72 0.00 0.00 41.12 36.39 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xpv n ASP 10 N 1.38 1.17 -4.43 1.67 -0.08 -1.26 -4.91 116.55 110.09 1xpv n ASP 10 Ca -0.30 1.11 -0.21 0.00 -1.51 0.00 0.00 54.79 53.88 1xpv n ASP 10 Cb 0.47 -0.89 -0.11 0.00 2.34 0.00 0.00 41.12 42.93 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv h HIS 12 N 2.18 0.59 -0.33 0.00 2.76 -1.99 -0.48 115.15 117.89 1xpv h HIS 12 Ca -0.40 -0.16 0.07 0.00 -2.20 0.00 0.00 60.37 57.68 1xpv h HIS 12 Cb 1.24 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 1xpv h HIS 12 CO 0.58 0.82 0.23 1.25 -1.30 0.00 0.00 177.93 179.51 1xpv h LEU 13 N 0.20 0.10 -0.01 0.26 5.85 -1.98 -0.40 115.31 119.33 1xpv h LEU 13 Ca 0.04 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1xpv h LEU 13 Cb 0.69 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1xpv h LEU 13 CO 0.04 0.07 -0.24 0.00 -0.34 0.00 0.00 178.44 177.97 1xpv h ASP 15 N -0.48 0.39 0.20 0.00 3.32 0.33 1.01 116.42 121.19 1xpv h ASP 15 Ca -0.03 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1xpv h ASP 15 Cb 0.98 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1xpv h ASP 15 CO 0.05 0.13 -0.27 1.56 -1.72 0.00 0.00 179.24 178.99 1xpv h GLN 16 N 0.37 0.13 -0.04 3.56 4.20 -1.08 -0.13 115.11 122.13 1xpv h GLN 16 Ca 0.50 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.13 1xpv h GLN 16 Cb 1.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1xpv h GLN 16 CO -0.19 0.40 -0.15 0.00 -0.67 0.00 0.00 178.83 178.22 1xpv h ALA 17 N 1.60 0.07 -0.72 3.87 0.00 0.11 -2.68 119.26 121.50 1xpv h ALA 17 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xpv h ALA 17 Cb 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1xpv h ALA 17 CO 0.04 -0.00 0.48 0.28 0.00 0.00 0.00 179.25 180.05 1xpv h VAL 18 N -0.40 1.16 0.02 0.00 2.07 -0.95 -1.06 116.25 117.09 1xpv h VAL 18 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xpv h VAL 18 Cb 0.79 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1xpv h VAL 18 CO 0.03 0.17 -0.07 -0.08 0.02 0.00 0.00 177.57 177.65 1xpv h GLU 19 N 0.95 -0.13 -0.86 1.57 4.81 -0.98 0.30 114.58 120.25 1xpv h GLU 19 Ca 0.27 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1xpv h GLU 19 Cb -0.07 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1xpv h GLU 19 CO -0.06 -0.08 0.57 0.00 -0.73 0.00 0.00 179.01 178.70 1xpv h ALA 20 N 0.84 1.42 0.72 2.92 0.00 -1.06 0.40 119.26 124.50 1xpv h ALA 20 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xpv h ALA 20 Cb 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xpv h ALA 20 CO -0.05 0.52 -0.35 -0.07 0.00 0.00 0.00 179.25 179.30 1xpv h LEU 21 N 1.12 -0.82 -0.54 0.00 3.38 -0.42 0.22 115.31 118.25 1xpv h LEU 21 Ca 0.32 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.38 1xpv h LEU 21 Cb -0.07 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1xpv h LEU 21 CO -0.08 -0.52 0.20 0.00 0.09 0.00 0.00 178.44 178.12 1xpv h ALA 22 N -0.87 0.68 -0.64 1.53 0.00 -0.09 0.28 119.26 120.15 1xpv h ALA 22 Ca -0.10 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xpv h ALA 22 Cb 0.76 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1xpv h ALA 22 CO 0.16 -0.20 0.34 1.96 0.00 0.00 0.00 179.25 181.51 1xpv h GLN 23 N 0.38 0.60 0.00 0.00 4.20 -0.06 0.35 115.11 120.59 1xpv h GLN 23 Ca 0.26 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1xpv h GLN 23 Cb 0.30 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1xpv h GLN 23 CO -0.27 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1xpv n ALA 24 N -2.36 1.84 -3.49 3.87 0.00 0.77 -4.88 120.51 116.26 1xpv n ALA 24 Ca 0.08 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 1xpv n ALA 24 Cb 0.19 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.06 -7.20 -0.02 0.00 5.12 0.12 -4.82 116.66 107.81 1xpv n ARG 25 Ca 0.03 0.75 -0.09 0.00 -1.93 0.00 0.00 57.85 56.61 1xpv n ARG 25 Cb 0.27 -5.55 -0.03 0.00 -1.16 0.00 0.00 32.46 26.00 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 0.92 -0.13 0.00 7.54 0.00 -1.64 -3.49 119.26 122.46 1xpv h ALA 26 Ca -0.51 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xpv h ALA 26 Cb 1.33 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1xpv h ALA 26 CO 0.50 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1xpv n GLY 27 N -1.35 0.22 3.93 0.00 0.00 -1.26 -5.07 105.19 101.67 1xpv n GLY 27 Ca -0.02 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.57 3.77 0.39 4.61 0.00 -1.26 -4.97 121.76 122.74 1xpv s ALA 28 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.00 1xpv s ALA 28 Cb 0.00 -2.05 0.05 0.00 0.00 0.00 0.00 23.12 21.12 1xpv s ALA 28 CO 0.00 0.29 0.76 -0.59 0.00 0.00 0.00 175.76 176.22 1xpv s PHE 29 N -2.01 0.28 -0.05 0.00 -0.12 -1.26 -4.47 117.98 110.35 1xpv s PHE 29 Ca 0.39 -0.92 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 1xpv s PHE 29 Cb -0.10 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1xpv s PHE 29 CO 0.31 -1.56 -0.11 -0.06 -0.05 0.00 0.00 175.22 173.75 1xpv s PHE 30 N -2.23 2.80 -0.13 3.49 0.08 -1.18 -5.00 117.98 115.81 1xpv s PHE 30 Ca 0.18 -0.08 -0.17 0.00 0.12 0.00 0.00 56.93 56.97 1xpv s PHE 30 Cb -0.04 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1xpv s PHE 30 CO 0.13 0.26 0.43 -1.12 -0.10 0.00 0.00 175.22 174.83 1xpv s SER 31 N -0.86 6.62 -0.10 1.36 0.01 -1.26 -3.06 113.70 116.41 1xpv s SER 31 Ca 0.13 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.14 1xpv s SER 31 Cb -0.11 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.87 1xpv s SER 31 CO 0.02 0.02 -0.15 -0.69 0.41 0.00 0.00 173.24 172.84 1xpv s VAL 32 N 0.62 1.46 -0.24 3.43 1.01 -1.25 -5.02 120.40 120.41 1xpv s VAL 32 Ca 0.24 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1xpv s VAL 32 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1xpv s VAL 32 CO 0.09 0.43 0.41 -0.36 0.00 0.00 0.00 175.10 175.67 1xpv s PHE 33 N 0.83 3.30 -0.39 5.22 0.08 -1.24 -0.76 117.98 125.03 1xpv s PHE 33 Ca -0.10 0.53 0.27 0.00 0.12 0.00 0.00 56.93 57.75 1xpv s PHE 33 Cb -0.15 -2.58 0.82 0.00 -0.57 0.00 0.00 43.02 40.53 1xpv s PHE 33 CO 0.01 -0.15 1.76 -0.84 -0.10 0.00 0.00 175.22 175.90 1xpv h ILE 34 N 5.25 0.00 -0.50 0.64 3.07 -1.94 -3.39 117.51 120.64 1xpv h ILE 34 Ca -0.33 -0.62 -0.50 0.00 1.55 0.00 0.00 64.86 64.96 1xpv h ILE 34 Cb 1.16 1.58 -0.04 0.00 -0.27 0.00 0.00 36.82 39.25 1xpv h ILE 34 CO 0.69 0.00 1.68 -0.67 -1.05 0.00 0.00 178.15 178.79 1xpv n ASP 35 N -2.75 3.62 0.00 2.16 -0.08 -1.26 -2.09 116.55 116.14 1xpv n ASP 35 Ca 0.03 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.54 1xpv n ASP 35 Cb 0.40 -1.67 0.00 0.00 2.34 0.00 0.00 41.12 42.19 1xpv n ASP 35 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1xpv n ASP 36 N 11.33 0.00 -4.17 1.67 8.00 -1.26 -5.08 116.55 127.04 1xpv n ASP 36 Ca 0.47 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.58 1xpv n ASP 36 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.46 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xpv s ASP 37 N 0.00 5.59 0.39 -2.24 1.01 -0.89 -4.93 116.67 115.60 1xpv s ASP 37 Ca 0.00 -2.23 0.17 0.00 0.71 0.00 0.00 52.55 51.20 1xpv s ASP 37 Cb 0.00 -1.95 1.05 0.00 1.01 0.00 0.00 42.92 43.03 1xpv s ASP 37 CO 0.00 -0.58 1.78 0.00 0.21 0.00 0.00 175.17 176.58 1xpv h ALA 38 N 7.98 2.15 -0.59 5.23 0.00 -1.98 0.65 119.26 132.69 1xpv h ALA 38 Ca -0.12 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xpv h ALA 38 Cb 1.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1xpv h ALA 38 CO 0.78 -0.54 0.33 0.00 0.00 0.00 0.00 179.25 179.82 1xpv h ALA 39 N 1.63 0.77 -0.14 0.00 0.00 -1.93 0.99 119.26 120.58 1xpv h ALA 39 Ca 0.58 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.33 1xpv h ALA 39 Cb 1.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xpv h ALA 39 CO -0.30 0.01 -0.61 -0.07 0.00 0.00 0.00 179.25 178.28 1xpv h LEU 40 N 0.62 0.55 -0.26 0.00 3.38 -0.21 0.12 115.31 119.51 1xpv h LEU 40 Ca 0.26 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xpv h LEU 40 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xpv h LEU 40 CO -0.15 1.02 0.03 -0.33 0.09 0.00 0.00 178.44 179.11 1xpv h GLU 41 N 0.36 0.43 0.00 1.13 4.39 0.66 0.72 114.58 122.27 1xpv h GLU 41 Ca -0.01 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1xpv h GLU 41 Cb 1.16 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1xpv h GLU 41 CO 0.11 0.56 -0.57 1.03 -1.16 0.00 0.00 179.01 178.98 1xpv h SER 42 N 0.24 0.00 -0.05 1.42 0.87 0.10 0.96 113.55 117.08 1xpv h SER 42 Ca 0.08 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 1xpv h SER 42 Cb 0.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xpv h SER 42 CO 0.01 0.57 -0.80 0.00 -0.53 0.00 0.00 176.83 176.08 1xpv h ALA 43 N 1.43 0.17 -1.36 6.23 0.00 -0.47 -3.43 119.26 121.83 1xpv h ALA 43 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xpv h ALA 43 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xpv h ALA 43 CO 0.07 0.56 0.00 0.66 0.00 0.00 0.00 179.25 180.54 1xpv n TYR 44 N -4.02 0.00 0.00 0.00 4.01 0.25 -4.90 117.16 112.50 1xpv n TYR 44 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1xpv n TYR 44 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 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 2.52 0.37 0.09 2.72 0.00 0.33 -1.84 105.19 109.37 1xpv n GLY 45 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 0.87 -1.97 0.99 7.99 -1.26 -3.97 117.00 119.65 1xpv n LEU 46 Ca 0.00 0.40 -0.21 0.00 -0.01 0.00 0.00 56.01 56.20 1xpv n LEU 46 Cb 0.00 0.13 0.06 0.00 -0.11 0.00 0.00 43.42 43.50 1xpv n LEU 46 CO 0.00 0.30 1.23 0.54 -1.51 0.00 0.00 177.39 177.95 1xpv n ARG 47 N -2.99 2.00 -0.13 3.23 3.00 -0.77 -4.55 116.66 116.45 1xpv n ARG 47 Ca -0.14 -2.01 -0.04 0.00 -0.01 0.00 0.00 57.85 55.65 1xpv n ARG 47 Cb 0.97 -1.79 0.03 0.00 0.00 0.00 0.00 32.46 31.68 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 0.94 0.63 -0.28 1.55 2.07 -1.80 -3.16 116.25 116.19 1xpv h VAL 48 Ca 0.38 -0.02 -0.61 0.00 0.82 0.00 0.00 66.70 67.27 1xpv h VAL 48 Cb 1.10 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1xpv h VAL 48 CO 0.94 0.01 2.26 -0.81 0.02 0.00 0.00 177.57 179.99 1xpv n PRO 49 N -5.25 2.27 -4.66 1.57 -0.04 -1.24 -4.10 135.00 123.55 1xpv n PRO 49 Ca 0.03 -2.50 -0.33 0.00 -0.04 0.00 0.00 63.50 60.66 1xpv n PRO 49 Cb 0.23 -3.32 -0.15 0.00 -0.04 0.00 0.00 33.50 30.22 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 5.58 2.62 -0.28 0.52 1.01 -1.20 -3.83 120.40 124.82 1xpv s VAL 50 Ca 0.56 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1xpv s VAL 50 Cb 0.09 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1xpv s VAL 50 CO 0.06 0.52 0.40 -0.22 0.00 0.00 0.00 175.10 175.86 1xpv s LEU 51 N 0.68 4.10 0.32 3.92 0.20 -1.20 -2.79 118.68 123.92 1xpv s LEU 51 Ca -0.08 0.24 0.09 0.00 0.69 0.00 0.00 54.13 55.07 1xpv s LEU 51 Cb -0.16 -2.45 -0.05 0.00 -0.43 0.00 0.00 46.19 43.10 1xpv s LEU 51 CO 0.02 -0.23 0.01 0.00 -0.29 0.00 0.00 176.35 175.85 1xpv s ARG 52 N 2.11 2.11 0.32 1.98 1.70 -0.87 0.53 118.95 126.84 1xpv s ARG 52 Ca 0.16 -1.68 0.05 0.00 -0.47 0.00 0.00 55.73 53.78 1xpv s ARG 52 Cb -0.16 -1.98 -0.06 0.00 -0.57 0.00 0.00 34.95 32.18 1xpv s ARG 52 CO 0.10 0.18 0.03 -0.51 -1.08 0.00 0.00 175.30 174.02 1xpv s ASP 53 N -3.71 2.60 0.29 -2.89 1.11 0.13 -3.05 116.67 111.15 1xpv s ASP 53 Ca 0.34 -1.33 0.14 0.00 0.18 0.00 0.00 52.55 51.88 1xpv s ASP 53 Cb -0.02 -0.13 0.34 0.00 1.07 0.00 0.00 42.92 44.18 1xpv s ASP 53 CO 0.19 -0.53 1.57 1.55 1.18 0.00 0.00 175.17 179.14 1xpv h PRO 54 N 2.12 0.00 -0.97 8.23 0.13 -1.87 -3.17 132.00 136.47 1xpv h PRO 54 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xpv h PRO 54 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1xpv h PRO 54 CO 0.70 0.56 0.61 0.52 -0.23 0.00 0.00 178.00 180.17 1xpv h MET 55 N 0.00 1.30 0.00 0.86 2.86 -1.96 -3.46 114.93 114.53 1xpv h MET 55 Ca -0.01 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1xpv h MET 55 Cb 1.18 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1xpv h MET 55 CO 0.07 0.88 0.00 0.41 1.06 0.00 0.00 176.91 179.34 1xpv n GLY 56 N -1.31 0.83 3.09 8.32 0.00 -1.20 -5.16 105.19 109.78 1xpv n GLY 56 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.62 0.16 1.61 0.52 -1.26 -4.99 118.95 115.61 1xpv s ARG 57 Ca 0.00 -1.19 -0.00 0.00 -0.52 0.00 0.00 55.73 54.02 1xpv s ARG 57 Cb 0.00 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 1xpv s ARG 57 CO 0.00 -0.09 0.06 -1.83 0.02 0.00 0.00 175.30 173.46 1xpv s GLU 58 N -3.73 1.06 0.06 3.54 4.04 -1.26 0.18 118.70 122.60 1xpv s GLU 58 Ca 0.06 -1.52 0.07 0.00 0.04 0.00 0.00 54.97 53.62 1xpv s GLU 58 Cb 0.06 0.08 -0.03 0.00 0.02 0.00 0.00 34.13 34.26 1xpv s GLU 58 CO -0.09 -0.25 -0.20 -1.17 -1.84 0.00 0.00 175.26 171.71 1xpv s LEU 59 N -3.12 2.21 0.86 1.83 2.96 0.19 -4.97 118.68 118.64 1xpv s LEU 59 Ca 0.28 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 1xpv s LEU 59 Cb 0.07 -0.92 0.06 0.00 0.50 0.00 0.00 46.19 45.90 1xpv s LEU 59 CO 0.05 0.12 0.78 -0.67 -1.32 0.00 0.00 176.35 175.30 1xpv n ASP 60 N 1.59 -0.65 0.22 3.68 2.03 -1.26 -3.26 116.55 118.91 1xpv n ASP 60 Ca -0.18 0.46 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 1xpv n ASP 60 Cb 0.53 -1.34 -0.08 0.00 -0.72 0.00 0.00 41.12 39.51 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1xpv h TRP 61 N -1.23 -0.50 -3.04 -0.67 -0.00 -1.95 -3.41 115.95 105.16 1xpv h TRP 61 Ca -0.44 -0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.87 1xpv h TRP 61 Cb 1.30 0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 30.58 1xpv h TRP 61 CO 0.42 -0.21 0.97 -1.25 -0.00 0.00 0.00 178.44 178.37 1xpv s PRO 62 N -5.32 3.99 0.35 2.65 0.04 -1.26 -4.96 135.00 130.49 1xpv s PRO 62 Ca -0.15 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 1xpv s PRO 62 Cb 0.03 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1xpv s PRO 62 CO 0.58 -1.03 0.65 -0.59 0.04 0.00 0.00 177.00 176.65 1xpv s PHE 63 N 4.22 0.47 0.12 0.56 -0.12 -1.26 -5.12 117.98 116.85 1xpv s PHE 63 Ca 0.57 -0.94 0.01 0.00 -0.05 0.00 0.00 56.93 56.52 1xpv s PHE 63 Cb -0.19 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1xpv s PHE 63 CO 0.21 -1.35 0.04 -0.25 -0.05 0.00 0.00 175.22 173.83 1xpv n ASP 64 N -1.28 1.89 -0.05 1.98 8.00 -1.26 -4.96 116.55 120.87 1xpv n ASP 64 Ca -0.04 -1.48 -0.14 0.00 0.71 0.00 0.00 54.79 53.83 1xpv n ASP 64 Cb 0.61 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.62 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 0.91 -0.00 0.00 2.24 0.00 -1.97 -1.44 119.26 119.00 1xpv h ALA 65 Ca -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1xpv h ALA 65 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xpv h ALA 65 CO 0.15 -0.02 -0.07 -1.00 0.00 0.00 0.00 179.25 178.31 1xpv h PRO 66 N -0.85 0.00 0.03 0.00 0.13 -1.95 -1.03 132.00 128.33 1xpv h PRO 66 Ca -0.01 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.87 1xpv h PRO 66 Cb 0.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 1xpv h PRO 66 CO 0.01 0.07 -1.28 -0.09 -0.23 0.00 0.00 178.00 176.47 1xpv h ARG 67 N 0.00 0.07 0.20 0.86 2.43 -1.96 -2.22 114.38 113.76 1xpv h ARG 67 Ca -0.00 -0.12 -0.31 0.00 -0.81 0.00 0.00 59.98 58.74 1xpv h ARG 67 Cb 0.80 0.04 0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1xpv h ARG 67 CO 0.01 0.92 -1.32 1.25 -1.51 0.00 0.00 179.97 179.32 1xpv h LEU 68 N 0.02 0.81 -0.25 3.80 5.85 -1.13 -3.09 115.31 121.32 1xpv h LEU 68 Ca -0.13 -0.89 -0.04 0.00 0.84 0.00 0.00 57.88 57.65 1xpv h LEU 68 Cb 1.89 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1xpv h LEU 68 CO 0.13 1.64 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.76 1xpv h ARG 69 N 0.11 0.45 -0.61 1.25 1.12 -1.30 -0.86 114.38 114.54 1xpv h ARG 69 Ca -0.22 -0.15 0.14 0.00 -1.11 0.00 0.00 59.98 58.64 1xpv h ARG 69 Cb 2.02 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 31.91 1xpv h ARG 69 CO 0.25 0.64 0.42 0.00 -3.11 0.00 0.00 179.97 178.17 1xpv h ALA 70 N 0.79 2.30 -0.02 2.80 0.00 -1.50 0.30 119.26 123.93 1xpv h ALA 70 Ca 0.07 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1xpv h ALA 70 Cb 0.45 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1xpv h ALA 70 CO 0.02 -0.46 -1.00 2.35 0.00 0.00 0.00 179.25 180.16 1xpv h TRP 71 N 0.20 1.05 -0.20 0.00 7.01 -1.36 -2.63 115.95 120.02 1xpv h TRP 71 Ca 0.29 -0.55 0.06 0.00 2.11 0.00 0.00 58.89 60.80 1xpv h TRP 71 Cb 0.88 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.75 1xpv h TRP 71 CO -0.00 1.39 -0.26 -0.07 -2.79 0.00 0.00 178.44 176.71 1xpv h LEU 72 N 0.41 -0.83 -1.16 0.65 -0.00 0.98 0.81 115.31 116.18 1xpv h LEU 72 Ca -0.12 0.14 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1xpv h LEU 72 Cb 1.65 0.38 -0.05 0.00 -0.00 0.00 0.00 40.66 42.63 1xpv h LEU 72 CO 0.20 -0.30 0.57 0.44 -0.00 0.00 0.00 178.44 179.35 1xpv h ASP 73 N -0.29 0.94 -0.50 -0.43 5.19 -1.29 0.69 116.42 120.73 1xpv h ASP 73 Ca 0.12 -0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.67 1xpv h ASP 73 Cb 0.48 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1xpv h ASP 73 CO -0.37 0.65 0.67 0.00 -3.12 0.00 0.00 179.24 177.07 1xpv h ALA 74 N 1.49 2.24 -2.12 3.45 0.00 -0.45 -3.39 119.26 120.48 1xpv h ALA 74 Ca 0.35 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.71 1xpv h ALA 74 Cb 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1xpv h ALA 74 CO -0.10 -0.93 -0.71 0.00 0.00 0.00 0.00 179.25 177.50 1xpv s ALA 75 N -4.46 2.46 0.93 0.00 0.00 0.23 -5.09 121.76 115.82 1xpv s ALA 75 Ca -0.03 -1.87 -0.13 0.00 0.00 0.00 0.00 51.96 49.93 1xpv s ALA 75 Cb 0.13 -0.02 0.15 0.00 0.00 0.00 0.00 23.12 23.38 1xpv s ALA 75 CO 0.46 0.06 1.15 -1.25 0.00 0.00 0.00 175.76 176.18 1xpv s PRO 76 N -3.64 0.99 -0.28 0.00 0.04 -1.26 -4.86 135.00 125.99 1xpv s PRO 76 Ca 0.28 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 1xpv s PRO 76 Cb 0.01 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.90 1xpv s PRO 76 CO 0.12 -2.29 1.34 -1.58 0.04 0.00 0.00 177.00 174.63 1xpv s HIS 77 N -3.30 -0.05 0.00 0.56 2.46 -1.26 -4.96 115.29 108.73 1xpv s HIS 77 Ca 0.65 0.08 0.00 0.00 0.47 0.00 0.00 55.06 56.26 1xpv s HIS 77 Cb -0.14 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1xpv s HIS 77 CO 0.53 -0.05 0.00 0.00 -2.47 0.00 0.00 174.74 172.75