#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gff s VAL 3 N 0.00 1.75 0.02 3.57 1.01 -0.60 -1.14 120.40 125.01 2gff s VAL 3 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.77 2gff s VAL 3 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2gff s VAL 3 CO 0.00 0.23 -0.06 0.42 0.00 0.00 0.00 175.10 175.69 2gff s THR 4 N -0.80 0.45 -0.19 3.92 -4.23 0.04 -0.81 115.64 114.03 2gff s THR 4 Ca 0.08 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2gff s THR 4 Cb -0.09 -0.48 0.02 0.00 1.34 0.00 0.00 72.50 73.30 2gff s THR 4 CO 0.02 -0.20 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.49 2gff s LEU 5 N -1.00 2.22 -0.14 4.79 2.96 -0.29 -0.82 118.68 126.40 2gff s LEU 5 Ca -0.06 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 2gff s LEU 5 Cb -0.07 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2gff s LEU 5 CO 0.00 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.17 2gff s VAL 6 N 1.29 2.81 -0.13 1.68 1.01 -0.17 -0.97 120.40 125.91 2gff s VAL 6 Ca 0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2gff s VAL 6 Cb -0.14 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2gff s VAL 6 CO -0.12 0.52 0.30 -0.70 0.00 0.00 0.00 175.10 175.10 2gff s GLU 7 N 0.57 4.13 -0.07 2.72 2.12 0.72 -0.68 118.70 128.21 2gff s GLU 7 Ca -0.09 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.38 2gff s GLU 7 Cb -0.16 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2gff s GLU 7 CO 0.04 0.35 -0.10 0.42 -0.54 0.00 0.00 175.26 175.42 2gff s ILE 8 N 0.11 1.04 -0.19 -3.70 1.01 0.45 -1.75 121.20 118.17 2gff s ILE 8 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2gff s ILE 8 Cb -0.13 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2gff s ILE 8 CO 0.05 0.34 0.00 0.20 0.00 0.00 0.00 174.94 175.54 2gff s ASN 9 N 0.88 4.90 0.00 3.58 0.01 -1.26 -0.60 114.94 122.45 2gff s ASN 9 Ca -0.11 -0.17 0.06 0.00 -0.71 0.00 0.00 52.86 51.93 2gff s ASN 9 Cb -0.15 -1.83 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2gff s ASN 9 CO 0.01 0.09 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.82 2gff s VAL 10 N 0.87 2.80 0.23 1.60 1.01 0.02 -1.13 120.40 125.81 2gff s VAL 10 Ca 0.01 -1.00 -0.32 0.00 0.00 0.00 0.00 61.98 60.67 2gff s VAL 10 Cb -0.14 -2.12 -0.12 0.00 0.00 0.00 0.00 36.38 33.99 2gff s VAL 10 CO 0.02 0.46 1.70 -0.54 0.00 0.00 0.00 175.10 176.74 2gff s LYS 11 N -1.08 4.12 0.43 2.72 1.02 0.22 -4.78 119.74 122.40 2gff s LYS 11 Ca 0.13 2.62 0.14 0.00 0.02 0.00 0.00 55.97 58.87 2gff s LYS 11 Cb -0.10 -3.06 1.03 0.00 -0.52 0.00 0.00 37.83 35.18 2gff s LYS 11 CO 0.03 -0.74 1.98 1.49 -0.92 0.00 0.00 175.35 177.19 2gff h GLU 12 N 6.37 0.40 -0.17 1.68 4.81 -1.96 -0.08 114.58 125.62 2gff h GLU 12 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2gff h GLU 12 Cb 1.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2gff h GLU 12 CO 0.92 0.26 0.00 -0.40 -0.73 0.00 0.00 179.01 179.07 2gff n ASP 13 N -4.47 1.25 0.00 1.04 5.75 -1.26 -3.51 116.55 115.35 2gff n ASP 13 Ca 0.10 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2gff n ASP 13 Cb 0.37 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2gff n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2gff n LYS 14 N 0.10 1.50 -0.24 0.11 4.76 -0.05 -4.77 118.16 119.57 2gff n LYS 14 Ca 0.13 -1.09 -0.04 0.00 -2.87 0.00 0.00 58.31 54.44 2gff n LYS 14 Cb 0.24 -0.96 0.07 0.00 -1.84 0.00 0.00 35.03 32.54 2gff n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2gff h VAL 15 N 0.18 1.08 -0.76 -0.18 2.07 -1.59 -1.02 116.25 116.04 2gff h VAL 15 Ca 0.00 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.33 2gff h VAL 15 Cb 0.37 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 2gff h VAL 15 CO 0.00 0.15 0.41 -2.24 0.02 0.00 0.00 177.57 175.91 2gff h ASP 16 N 0.82 0.57 -0.16 0.57 -0.00 -1.88 -0.16 116.42 116.18 2gff h ASP 16 Ca 0.27 0.05 -0.14 0.00 -0.00 0.00 0.00 57.03 57.22 2gff h ASP 16 Cb 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.30 2gff h ASP 16 CO -0.11 0.33 -0.39 1.56 -0.00 0.00 0.00 179.24 180.63 2gff h GLN 17 N 0.70 0.68 -0.57 4.15 4.20 -1.72 -2.23 115.11 120.32 2gff h GLN 17 Ca 0.37 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2gff h GLN 17 Cb 0.36 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2gff h GLN 17 CO -0.25 0.96 0.38 0.35 -0.67 0.00 0.00 178.83 179.59 2gff h PHE 18 N 0.57 0.71 -0.48 2.96 3.57 -0.62 -0.50 116.94 123.15 2gff h PHE 18 Ca 0.05 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2gff h PHE 18 Cb 0.92 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2gff h PHE 18 CO 0.04 0.44 0.07 0.82 -2.23 0.00 0.00 178.31 177.46 2gff h ILE 19 N 0.76 1.25 -0.38 1.41 1.08 -0.80 -0.59 117.51 120.24 2gff h ILE 19 Ca 0.21 -0.92 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 2gff h ILE 19 Cb -0.07 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2gff h ILE 19 CO -0.05 0.33 0.10 -0.08 -0.69 0.00 0.00 178.15 177.76 2gff h GLU 20 N 0.66 0.23 -0.22 2.37 4.57 -1.09 0.23 114.58 121.33 2gff h GLU 20 Ca 0.14 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2gff h GLU 20 Cb 0.40 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2gff h GLU 20 CO 0.01 0.16 0.12 0.28 -1.18 0.00 0.00 179.01 178.40 2gff h VAL 21 N 0.24 1.02 0.00 0.32 2.07 -0.85 -2.44 116.25 116.62 2gff h VAL 21 Ca 0.18 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 2gff h VAL 21 Cb 0.18 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2gff h VAL 21 CO -0.21 0.05 -0.40 -0.26 0.02 0.00 0.00 177.57 176.77 2gff h PHE 22 N 0.26 0.00 -0.79 1.57 -1.00 -0.84 -1.37 116.94 114.76 2gff h PHE 22 Ca 0.08 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.90 2gff h PHE 22 Cb -0.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 2gff h PHE 22 CO -0.08 0.40 0.51 -0.09 -1.61 0.00 0.00 178.31 177.44 2gff h ARG 23 N 0.00 0.96 -0.22 1.51 2.43 -0.32 0.35 114.38 119.09 2gff h ARG 23 Ca -0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 2gff h ARG 23 Cb 1.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2gff h ARG 23 CO 0.05 0.63 -0.39 0.00 -1.51 0.00 0.00 179.97 178.76 2gff h ALA 24 N 1.33 0.35 -0.40 2.80 0.00 -1.08 -1.44 119.26 120.82 2gff h ALA 24 Ca 0.32 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2gff h ALA 24 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gff h ALA 24 CO -0.11 0.44 0.13 -0.97 0.00 0.00 0.00 179.25 178.74 2gff h ASN 25 N 0.35 0.57 -0.20 0.00 -1.24 -0.99 -1.63 115.58 112.44 2gff h ASN 25 Ca 0.01 -0.19 0.01 0.00 0.71 0.00 0.00 56.30 56.84 2gff h ASN 25 Cb 0.98 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 2gff h ASN 25 CO 0.09 0.61 0.10 -0.74 -1.29 0.00 0.00 177.43 176.19 2gff h HIS 26 N 0.49 0.18 -0.09 0.67 2.76 -0.27 0.44 115.15 119.34 2gff h HIS 26 Ca 0.13 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2gff h HIS 26 Cb 0.24 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2gff h HIS 26 CO 0.01 0.10 0.00 1.25 -1.30 0.00 0.00 177.93 177.99 2gff h LEU 27 N 0.21 -0.02 -0.79 0.26 5.85 -1.18 -0.78 115.31 118.85 2gff h LEU 27 Ca 0.08 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2gff h LEU 27 Cb 0.02 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2gff h LEU 27 CO -0.06 0.00 0.48 1.23 -0.34 0.00 0.00 178.44 179.75 2gff h GLY 28 N 0.04 1.15 0.99 3.75 0.00 -1.18 -3.19 103.07 104.63 2gff h GLY 28 Ca 0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 2gff h GLY 28 CO -0.07 0.46 -0.58 1.76 0.00 0.00 0.00 176.54 178.12 2gff h SER 29 N 1.08 0.75 0.31 0.19 0.02 -0.49 -2.90 113.55 112.51 2gff h SER 29 Ca 0.28 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2gff h SER 29 Cb -0.04 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2gff h SER 29 CO -0.05 1.24 0.00 0.16 -1.14 0.00 0.00 176.83 177.04 2gff h ILE 30 N 0.30 0.00 -0.00 3.27 3.07 -1.22 -2.18 117.51 120.75 2gff h ILE 30 Ca -0.03 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.23 2gff h ILE 30 Cb 1.21 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 2gff h ILE 30 CO 0.12 0.00 -0.14 0.54 -1.05 0.00 0.00 178.15 177.62 2gff n ARG 31 N -2.98 0.18 -2.44 0.16 1.74 -1.10 -4.91 116.66 107.31 2gff n ARG 31 Ca -0.02 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 2gff n ARG 31 Cb 0.14 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 2gff n ARG 31 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2gff s GLU 32 N -2.85 4.60 0.32 5.56 2.02 -0.82 -4.95 118.70 122.59 2gff s GLU 32 Ca 0.18 1.83 0.06 0.00 0.02 0.00 0.00 54.97 57.06 2gff s GLU 32 Cb 0.19 -3.19 0.73 0.00 0.10 0.00 0.00 34.13 31.95 2gff s GLU 32 CO 0.55 0.15 1.83 0.00 0.02 0.00 0.00 175.26 177.81 2gff h ALA 33 N 4.02 1.71 -0.42 5.21 0.00 -1.91 -2.54 119.26 125.33 2gff h ALA 33 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2gff h ALA 33 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gff h ALA 33 CO 0.68 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2gff n GLY 34 N -1.38 1.43 3.78 0.00 0.00 -1.26 -4.91 105.19 102.84 2gff n GLY 34 Ca 0.20 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 2gff n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gff s ASN 35 N -1.33 7.38 -0.04 1.61 3.84 -0.96 -1.25 114.94 124.19 2gff s ASN 35 Ca 0.38 1.64 0.03 0.00 0.21 0.00 0.00 52.86 55.12 2gff s ASN 35 Cb 0.21 -2.50 -0.04 0.00 -0.55 0.00 0.00 41.25 38.37 2gff s ASN 35 CO 0.29 0.20 0.00 0.18 -2.79 0.00 0.00 177.10 174.98 2gff n LEU 36 N 1.55 0.68 -3.79 3.21 4.77 0.52 -4.91 117.00 119.03 2gff n LEU 36 Ca -0.05 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 2gff n LEU 36 Cb 0.49 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2gff n LEU 36 CO 0.46 0.21 -0.05 -0.13 -1.33 0.00 0.00 177.39 176.54 2gff s ARG 37 N -2.09 0.45 -0.42 3.23 1.81 -0.97 -4.93 118.95 116.03 2gff s ARG 37 Ca -0.03 0.09 0.05 0.00 -1.72 0.00 0.00 55.73 54.12 2gff s ARG 37 Cb 0.01 0.21 0.17 0.00 -0.45 0.00 0.00 34.95 34.89 2gff s ARG 37 CO 0.15 -0.09 0.47 0.12 -0.68 0.00 0.00 175.30 175.26 2gff s PHE 38 N -0.52 -0.26 -0.13 -0.53 2.19 -1.24 -1.36 117.98 116.12 2gff s PHE 38 Ca -0.06 -1.19 -0.07 0.00 0.33 0.00 0.00 56.93 55.94 2gff s PHE 38 Cb -0.04 -0.35 -0.04 0.00 -1.31 0.00 0.00 43.02 41.28 2gff s PHE 38 CO 0.02 -1.01 0.12 -0.51 1.83 0.00 0.00 175.22 175.66 2gff s ASP 39 N 0.87 6.18 -0.21 6.13 -0.00 0.37 -4.94 116.67 125.08 2gff s ASP 39 Ca 0.25 0.37 -0.06 0.00 -0.00 0.00 0.00 52.55 53.11 2gff s ASP 39 Cb -0.05 -2.00 -0.03 0.00 -0.00 0.00 0.00 42.92 40.84 2gff s ASP 39 CO -0.09 0.36 0.03 -0.69 -0.00 0.00 0.00 175.17 174.78 2gff s VAL 40 N -0.71 4.25 0.16 -1.27 1.01 -1.26 -0.90 120.40 121.68 2gff s VAL 40 Ca 0.13 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2gff s VAL 40 Cb -0.12 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2gff s VAL 40 CO 0.03 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 2gff s LEU 41 N 0.96 2.47 0.08 3.92 1.43 0.52 -5.00 118.68 123.07 2gff s LEU 41 Ca 0.03 -0.91 0.08 0.00 -1.03 0.00 0.00 54.13 52.29 2gff s LEU 41 Cb -0.14 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2gff s LEU 41 CO 0.02 -0.15 -0.16 -0.60 0.23 0.00 0.00 176.35 175.70 2gff s ARG 42 N -3.12 1.99 0.37 1.70 3.52 -1.26 -1.07 118.95 121.08 2gff s ARG 42 Ca 0.15 -1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 54.44 2gff s ARG 42 Cb -0.03 -2.20 -0.12 0.00 -1.56 0.00 0.00 34.95 31.05 2gff s ARG 42 CO 0.05 0.51 1.11 -3.47 -0.81 0.00 0.00 175.30 172.69 2gff n ASP 43 N 1.07 1.82 0.24 -2.12 -0.08 0.53 -4.88 116.55 113.13 2gff n ASP 43 Ca -0.15 1.12 0.07 0.00 -1.51 0.00 0.00 54.79 54.32 2gff n ASP 43 Cb 0.52 -1.39 0.57 0.00 2.34 0.00 0.00 41.12 43.16 2gff n ASP 43 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2gff h GLU 44 N 1.96 0.00 0.00 -0.67 4.81 -1.99 -3.35 114.58 115.33 2gff h GLU 44 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2gff h GLU 44 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2gff h GLU 44 CO 0.59 0.15 -0.80 0.72 -0.73 0.00 0.00 179.01 178.94 2gff n HIS 45 N -4.23 0.00 -3.41 0.92 8.25 -1.26 -4.98 115.22 110.50 2gff n HIS 45 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2gff n HIS 45 Cb 0.22 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 2gff n HIS 45 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2gff s ILE 46 N -1.67 5.20 0.43 1.59 1.01 -1.26 -4.96 121.20 121.54 2gff s ILE 46 Ca 0.00 -0.52 0.39 0.00 0.00 0.00 0.00 60.65 60.52 2gff s ILE 46 Cb 0.00 -3.96 0.41 0.00 0.01 0.00 0.00 42.46 38.92 2gff s ILE 46 CO 0.00 -0.34 2.20 -0.65 0.00 0.00 0.00 174.94 176.15 2gff h PRO 47 N 8.66 0.00 -0.58 2.79 0.11 -1.94 -2.70 132.00 138.34 2gff h PRO 47 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2gff h PRO 47 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2gff h PRO 47 CO 0.75 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.80 2gff n THR 48 N -3.15 1.08 -3.84 -1.15 -2.24 -1.26 -4.90 114.28 98.81 2gff n THR 48 Ca -0.02 -1.03 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 2gff n THR 48 Cb 0.17 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 2gff n THR 48 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2gff s ARG 49 N -1.09 3.40 0.23 -0.78 3.52 -1.02 -0.80 118.95 122.41 2gff s ARG 49 Ca 0.40 -0.63 0.11 0.00 -0.13 0.00 0.00 55.73 55.48 2gff s ARG 49 Cb 0.21 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 2gff s ARG 49 CO 0.26 -0.24 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.29 2gff s PHE 50 N 1.52 2.41 -0.02 5.12 0.40 0.23 -0.35 117.98 127.28 2gff s PHE 50 Ca 0.05 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2gff s PHE 50 Cb -0.15 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.26 2gff s PHE 50 CO -0.01 0.59 -0.09 0.71 0.70 0.00 0.00 175.22 177.12 2gff s TYR 51 N -2.04 0.97 -0.20 0.36 1.51 -0.23 -0.41 117.35 117.31 2gff s TYR 51 Ca 0.26 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.05 2gff s TYR 51 Cb -0.07 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2gff s TYR 51 CO 0.14 -0.09 -0.05 0.42 -1.11 0.00 0.00 175.55 174.86 2gff s ILE 52 N 0.12 3.48 -0.37 2.71 -1.09 0.15 -0.35 121.20 125.84 2gff s ILE 52 Ca -0.02 -0.47 -0.11 0.00 -2.23 0.00 0.00 60.65 57.82 2gff s ILE 52 Cb -0.08 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2gff s ILE 52 CO 0.00 0.45 0.20 -0.47 -1.23 0.00 0.00 174.94 173.89 2gff s TYR 53 N 1.10 3.24 -0.02 3.97 6.14 -0.08 -1.00 117.35 130.71 2gff s TYR 53 Ca 0.01 -0.98 0.07 0.00 0.64 0.00 0.00 57.07 56.82 2gff s TYR 53 Cb -0.15 -2.43 -0.02 0.00 0.42 0.00 0.00 41.96 39.78 2gff s TYR 53 CO -0.00 -0.65 -0.24 -1.21 0.64 0.00 0.00 175.55 174.08 2gff s GLU 54 N 1.55 2.00 0.00 4.97 2.02 -0.00 -0.47 118.70 128.76 2gff s GLU 54 Ca 0.02 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.15 2gff s GLU 54 Cb -0.19 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 2gff s GLU 54 CO 0.06 0.52 -0.04 0.00 0.02 0.00 0.00 175.26 175.82 2gff s ALA 55 N -0.56 0.35 0.10 5.21 0.00 -0.47 -0.78 121.76 125.61 2gff s ALA 55 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2gff s ALA 55 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2gff s ALA 55 CO -0.01 0.06 -0.07 0.71 0.00 0.00 0.00 175.76 176.45 2gff s TYR 56 N -0.30 0.92 0.36 0.00 1.51 -0.29 -0.36 117.35 119.19 2gff s TYR 56 Ca -0.01 -0.84 0.07 0.00 -1.01 0.00 0.00 57.07 55.28 2gff s TYR 56 Cb -0.03 -0.52 0.77 0.00 -0.11 0.00 0.00 41.96 42.07 2gff s TYR 56 CO -0.00 -0.11 1.93 1.79 -1.11 0.00 0.00 175.55 178.05 2gff h THR 57 N 3.13 0.96 -2.60 -0.71 1.35 -1.49 -0.42 112.91 113.13 2gff h THR 57 Ca -0.36 -0.25 0.13 0.00 -0.55 0.00 0.00 66.41 65.38 2gff h THR 57 Cb 1.17 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.72 2gff h THR 57 CO 0.62 0.13 0.52 1.51 -0.25 0.00 0.00 175.52 178.05 2gff s ASP 58 N -6.06 -0.01 0.45 5.36 1.47 -1.26 -4.26 116.67 112.35 2gff s ASP 58 Ca -0.10 -0.73 0.23 0.00 1.18 0.00 0.00 52.55 53.13 2gff s ASP 58 Cb 0.20 0.56 1.03 0.00 -0.34 0.00 0.00 42.92 44.38 2gff s ASP 58 CO 0.78 -1.11 1.89 -0.33 0.68 0.00 0.00 175.17 177.08 2gff h GLU 59 N 2.00 0.00 -0.79 2.11 5.08 -1.96 -2.37 114.58 118.66 2gff h GLU 59 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2gff h GLU 59 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2gff h GLU 59 CO 0.36 0.23 0.35 0.00 -1.00 0.00 0.00 179.01 178.95 2gff h ALA 60 N 1.77 1.13 0.00 3.43 0.00 -1.99 -1.76 119.26 121.83 2gff h ALA 60 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2gff h ALA 60 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2gff h ALA 60 CO 0.03 0.64 -0.40 0.00 0.00 0.00 0.00 179.25 179.52 2gff h ALA 61 N 1.25 0.99 -0.28 0.00 0.00 -1.79 -1.51 119.26 117.92 2gff h ALA 61 Ca 0.27 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2gff h ALA 61 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2gff h ALA 61 CO -0.03 0.50 -0.15 0.28 0.00 0.00 0.00 179.25 179.85 2gff h VAL 62 N 0.00 1.30 -0.70 0.00 2.07 -1.27 -0.64 116.25 117.01 2gff h VAL 62 Ca -0.00 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2gff h VAL 62 Cb 0.92 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2gff h VAL 62 CO 0.05 0.40 0.36 0.00 0.02 0.00 0.00 177.57 178.40 2gff h ALA 63 N 0.74 0.89 -0.54 1.67 0.00 -1.08 -1.34 119.26 119.60 2gff h ALA 63 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2gff h ALA 63 Cb 0.67 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2gff h ALA 63 CO 0.04 0.43 0.30 0.82 0.00 0.00 0.00 179.25 180.85 2gff h ILE 64 N 0.96 1.18 -0.81 0.00 2.04 -1.15 -2.55 117.51 117.19 2gff h ILE 64 Ca 0.24 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.77 2gff h ILE 64 Cb 0.07 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2gff h ILE 64 CO -0.04 0.19 0.43 -0.74 0.00 0.00 0.00 178.15 178.00 2gff h HIS 65 N 0.73 0.78 0.00 1.37 2.76 -0.46 -1.12 115.15 119.20 2gff h HIS 65 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2gff h HIS 65 Cb 0.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.77 2gff h HIS 65 CO -0.02 0.27 0.00 1.63 -1.30 0.00 0.00 177.93 178.51 2gff n LYS 66 N -4.81 0.65 0.00 5.26 5.02 -0.57 -2.10 118.16 121.62 2gff n LYS 66 Ca 0.14 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 2gff n LYS 66 Cb 0.33 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 2gff n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gff n THR 67 N -1.08 0.01 -2.57 -0.18 -2.24 -0.43 -4.76 114.28 103.03 2gff n THR 67 Ca 0.16 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 2gff n THR 67 Cb 0.11 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 2gff n THR 67 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2gff s THR 68 N -3.11 3.80 0.28 4.28 -4.23 -0.89 -4.91 115.64 110.87 2gff s THR 68 Ca 0.05 1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.84 2gff s THR 68 Cb 0.16 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.65 2gff s THR 68 CO 0.86 -0.08 1.88 -0.65 -0.54 0.00 0.00 174.62 176.09 2gff h PRO 69 N 2.21 1.09 -0.46 3.99 0.11 -1.95 -1.51 132.00 135.48 2gff h PRO 69 Ca -0.49 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.46 2gff h PRO 69 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2gff h PRO 69 CO 0.61 0.72 -0.11 1.12 -0.21 0.00 0.00 178.00 180.14 2gff h HIS 70 N 1.12 0.92 -0.31 0.65 2.07 -1.93 -0.80 115.15 116.87 2gff h HIS 70 Ca 0.43 -0.17 -0.09 0.00 -2.85 0.00 0.00 60.37 57.69 2gff h HIS 70 Cb 0.22 -0.24 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 2gff h HIS 70 CO -0.00 0.90 -0.14 -0.92 -3.07 0.00 0.00 177.93 174.70 2gff h TYR 71 N 0.76 0.74 -0.37 6.12 3.20 -1.70 -2.02 116.97 123.70 2gff h TYR 71 Ca 0.13 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2gff h TYR 71 Cb 0.61 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2gff h TYR 71 CO 0.03 0.86 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.22 2gff h LEU 72 N 0.41 0.65 -0.57 2.82 3.38 -1.09 -0.89 115.31 120.02 2gff h LEU 72 Ca 0.07 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2gff h LEU 72 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2gff h LEU 72 CO 0.04 0.80 -0.31 1.56 0.09 0.00 0.00 178.44 180.62 2gff h GLN 73 N 0.60 0.80 -0.19 1.13 7.50 -1.13 -2.63 115.11 121.20 2gff h GLN 73 Ca 0.10 -0.37 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 2gff h GLN 73 Cb 0.56 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 2gff h GLN 73 CO 0.04 1.00 0.09 0.00 -1.50 0.00 0.00 178.83 178.46 2gff h VAL 75 N 0.18 0.95 -0.02 0.00 2.07 -1.07 0.13 116.25 118.48 2gff h VAL 75 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2gff h VAL 75 Cb 0.12 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2gff h VAL 75 CO -0.01 0.13 0.02 -0.33 0.02 0.00 0.00 177.57 177.39 2gff h GLU 76 N 0.69 0.03 0.00 1.57 5.08 -1.30 -2.93 114.58 117.72 2gff h GLU 76 Ca 0.32 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2gff h GLU 76 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2gff h GLU 76 CO -0.20 0.04 -0.38 1.96 -1.00 0.00 0.00 179.01 179.42 2gff h GLN 77 N 0.02 0.00 0.01 2.33 4.20 -0.54 -3.25 115.11 117.88 2gff h GLN 77 Ca 0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.47 2gff h GLN 77 Cb 0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.80 2gff h GLN 77 CO -0.00 0.38 -1.01 1.25 -0.67 0.00 0.00 178.83 178.78 2gff h LEU 78 N 0.00 0.68 -0.85 1.46 5.85 -0.73 -3.38 115.31 118.33 2gff h LEU 78 Ca -0.00 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.29 2gff h LEU 78 Cb 1.14 -0.21 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 2gff h LEU 78 CO 0.05 1.36 -0.42 0.00 -0.34 0.00 0.00 178.44 179.09 2gff h ALA 79 N 0.59 -0.06 0.00 1.25 0.00 -1.55 0.94 119.26 120.43 2gff h ALA 79 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2gff h ALA 79 Cb 1.66 1.01 0.00 0.00 0.00 0.00 0.00 17.79 20.46 2gff h ALA 79 CO 0.18 -0.72 0.00 -0.35 0.00 0.00 0.00 179.25 178.37 2gff n PRO 80 N -5.42 0.04 -0.44 0.00 -0.04 -1.26 -4.88 135.00 123.00 2gff n PRO 80 Ca 0.06 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2gff n PRO 80 Cb 0.37 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2gff n PRO 80 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2gff n LEU 81 N -1.47 4.49 0.00 1.53 4.77 0.32 -4.96 117.00 121.67 2gff n LEU 81 Ca 0.05 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 2gff n LEU 81 Cb 0.22 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2gff n LEU 81 CO 0.18 0.75 0.05 0.35 -1.33 0.00 0.00 177.39 177.39 2gff n THR 83 N 0.14 0.00 -3.73 -5.08 -2.24 -0.28 -0.61 114.28 102.48 2gff n THR 83 Ca 0.18 -0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2gff n THR 83 Cb 0.80 1.63 0.00 0.00 -2.10 0.00 0.00 70.33 70.66 2gff n THR 83 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gff s GLY 84 N -0.04 -0.39 0.63 3.38 0.00 -1.26 -5.10 107.32 104.54 2gff s GLY 84 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 44.72 45.21 2gff s GLY 84 CO 0.00 2.51 1.18 2.56 0.00 0.00 0.00 173.10 179.35 2gff s PRO 85 N -2.04 2.79 0.58 2.90 0.04 -1.26 -4.74 135.00 133.27 2gff s PRO 85 Ca 0.21 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 2gff s PRO 85 Cb 0.05 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2gff s PRO 85 CO -0.05 -1.32 1.29 1.03 0.04 0.00 0.00 177.00 177.99 2gff s ARG 86 N -3.62 2.98 -0.06 4.56 0.52 -1.26 -4.84 118.95 117.22 2gff s ARG 86 Ca 0.74 2.05 0.03 0.00 -0.52 0.00 0.00 55.73 58.03 2gff s ARG 86 Cb -0.27 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2gff s ARG 86 CO 0.37 -1.26 -0.14 0.15 0.02 0.00 0.00 175.30 174.44 2gff s LYS 87 N -3.12 2.59 -0.03 3.54 1.02 -0.72 -4.97 119.74 118.05 2gff s LYS 87 Ca 0.76 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 56.07 2gff s LYS 87 Cb -0.36 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2gff s LYS 87 CO 0.41 0.58 -0.09 0.21 -0.92 0.00 0.00 175.35 175.54 2gff s LYS 88 N -0.62 0.97 -0.06 1.68 2.20 -1.26 -0.20 119.74 122.45 2gff s LYS 88 Ca 0.09 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 2gff s LYS 88 Cb -0.11 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.29 2gff s LYS 88 CO 0.01 0.09 -0.21 0.99 -0.36 0.00 0.00 175.35 175.87 2gff s THR 89 N 0.27 2.44 -0.02 3.43 2.01 -0.14 -4.99 115.64 118.64 2gff s THR 89 Ca -0.04 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2gff s THR 89 Cb -0.09 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2gff s THR 89 CO 0.01 0.57 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.81 2gff s VAL 90 N -0.29 4.16 0.11 3.82 1.01 -1.26 -1.13 120.40 126.81 2gff s VAL 90 Ca 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2gff s VAL 90 Cb -0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2gff s VAL 90 CO 0.03 0.43 -0.07 -0.36 0.00 0.00 0.00 175.10 175.12 2gff s PHE 91 N -1.03 0.99 -0.13 5.22 0.40 0.01 -5.00 117.98 118.43 2gff s PHE 91 Ca 0.18 -0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 55.62 2gff s PHE 91 Cb -0.11 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 2gff s PHE 91 CO 0.08 -0.09 -0.09 0.42 0.70 0.00 0.00 175.22 176.24 2gff s ILE 92 N -3.55 3.42 0.23 0.64 1.01 -1.26 -1.56 121.20 120.12 2gff s ILE 92 Ca 0.13 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2gff s ILE 92 Cb 0.05 -2.45 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 2gff s ILE 92 CO -0.03 0.52 0.95 -0.83 0.00 0.00 0.00 174.94 175.55 2gff s GLY 93 N 0.20 3.10 0.00 6.18 0.00 -1.26 -4.95 107.32 110.59 2gff s GLY 93 Ca -0.05 0.63 0.10 0.00 0.00 0.00 0.00 44.72 45.39 2gff s GLY 93 CO 0.04 1.24 0.69 1.04 0.00 0.00 0.00 173.10 176.11 2gff n LEU 94 N 1.62 1.43 -4.27 0.66 4.77 -1.26 -4.96 117.00 114.99 2gff n LEU 94 Ca -0.01 -0.85 -0.39 0.00 -0.03 0.00 0.00 56.01 54.72 2gff n LEU 94 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2gff n LEU 94 CO 0.50 0.28 -0.57 -0.81 -1.33 0.00 0.00 177.39 175.46 2gff n PRO 96 N 0.04 0.04 0.00 3.23 -0.04 -1.26 -5.27 135.00 131.73 2gff n PRO 96 Ca 0.05 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2gff n PRO 96 Cb 0.22 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2gff n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87