#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktb s LYS 3 N 0.00 4.49 -0.11 1.97 2.20 -1.26 -4.75 119.74 122.29 3ktb s LYS 3 Ca 0.00 1.41 0.01 0.00 -0.36 0.00 0.00 55.97 57.03 3ktb s LYS 3 Cb 0.00 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 3ktb s LYS 3 CO 0.00 -0.18 -0.14 0.42 -0.36 0.00 0.00 175.35 175.09 3ktb s ILE 4 N 1.49 2.99 -0.03 5.43 1.01 -1.26 -0.28 121.20 130.55 3ktb s ILE 4 Ca 0.50 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 3ktb s ILE 4 Cb -0.20 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.08 3ktb s ILE 4 CO 0.23 0.54 0.05 -0.70 0.00 0.00 0.00 174.94 175.07 3ktb s GLU 5 N 0.09 -0.03 -0.15 2.79 2.12 -0.27 -3.39 118.70 119.85 3ktb s GLU 5 Ca -0.06 0.25 -0.00 0.00 0.36 0.00 0.00 54.97 55.52 3ktb s GLU 5 Cb -0.15 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 33.95 3ktb s GLU 5 CO 0.05 -0.20 -0.14 0.42 -0.54 0.00 0.00 175.26 174.84 3ktb s ILE 6 N 1.32 2.79 -0.45 -3.70 1.01 0.06 -0.09 121.20 122.14 3ktb s ILE 6 Ca -0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3ktb s ILE 6 Cb -0.13 -2.18 0.09 0.00 0.01 0.00 0.00 42.46 40.25 3ktb s ILE 6 CO -0.03 0.51 0.32 -0.36 0.00 0.00 0.00 174.94 175.38 3ktb s PHE 7 N 0.74 3.33 0.75 3.97 0.08 0.38 -0.03 117.98 127.20 3ktb s PHE 7 Ca -0.06 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.43 3ktb s PHE 7 Cb -0.15 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 39.18 3ktb s PHE 7 CO 0.01 -0.88 1.08 -0.51 -0.10 0.00 0.00 175.22 174.82 3ktb s ASP 8 N 2.42 4.89 1.35 1.36 1.01 0.40 -1.35 116.67 126.76 3ktb s ASP 8 Ca 0.04 1.47 -0.21 0.00 0.71 0.00 0.00 52.55 54.56 3ktb s ASP 8 Cb -0.24 -2.27 0.34 0.00 1.01 0.00 0.00 42.92 41.76 3ktb s ASP 8 CO 0.03 -1.74 0.97 -2.84 0.21 0.00 0.00 175.17 171.80 3ktb s PRO 9 N -5.09 -2.37 0.90 8.23 0.02 -1.26 -3.63 135.00 131.79 3ktb s PRO 9 Ca 0.60 0.22 -0.11 0.00 0.02 0.00 0.00 61.00 61.73 3ktb s PRO 9 Cb -0.14 -1.44 0.13 0.00 0.02 0.00 0.00 34.50 33.07 3ktb s PRO 9 CO 0.55 -4.53 1.10 0.00 -0.33 0.00 0.00 177.00 173.79 3ktb s ALA 10 N -2.41 1.48 -0.68 -1.55 0.00 -1.26 -3.43 121.76 113.90 3ktb s ALA 10 Ca 0.69 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.95 3ktb s ALA 10 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3ktb s ALA 10 CO 0.59 -2.49 0.52 0.00 0.00 0.00 0.00 175.76 174.38 3ktb h PRO 14 N 2.00 0.00 -0.00 0.00 0.11 -2.01 -1.93 132.00 130.16 3ktb h PRO 14 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3ktb h PRO 14 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ktb h PRO 14 CO 0.28 0.17 -0.86 0.25 -0.21 0.00 0.00 178.00 177.63 3ktb n THR 15 N -4.20 0.00 -1.03 -1.15 -2.24 -1.26 -4.94 114.28 99.46 3ktb n THR 15 Ca -0.02 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3ktb n THR 15 Cb 0.24 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3ktb n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktb n GLY 16 N 1.45 0.44 2.13 3.38 0.00 -0.73 -4.90 105.19 106.97 3ktb n GLY 16 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3ktb n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktb n LEU 17 N -0.12 6.69 0.03 0.99 4.77 -1.26 -4.68 117.00 123.41 3ktb n LEU 17 Ca -0.01 -3.91 -0.04 0.00 -0.03 0.00 0.00 56.01 52.02 3ktb n LEU 17 Cb 0.15 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 3ktb n LEU 17 CO 0.02 1.27 0.11 0.00 -1.33 0.00 0.00 177.39 177.45 3ktb n GLY 19 N 1.27 -2.57 0.16 0.00 0.00 -1.26 -4.96 105.19 97.82 3ktb n GLY 19 Ca -0.03 -1.47 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 3ktb n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ktb h THR 20 N -1.98 1.38 -3.57 2.61 1.35 -2.00 -3.41 112.91 107.30 3ktb h THR 20 Ca -0.16 -1.82 -0.69 0.00 -0.55 0.00 0.00 66.41 63.19 3ktb h THR 20 Cb 0.48 1.97 -0.19 0.00 -1.73 0.00 0.00 68.15 68.68 3ktb h THR 20 CO 0.10 0.52 -0.30 0.20 -0.25 0.00 0.00 175.52 175.80 3ktb s ASN 21 N -6.88 6.16 -0.22 5.36 0.01 -1.26 -5.04 114.94 113.07 3ktb s ASN 21 Ca -0.02 -0.62 -0.23 0.00 -0.71 0.00 0.00 52.86 51.29 3ktb s ASN 21 Cb 0.13 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 3ktb s ASN 21 CO 0.75 -0.47 0.74 -0.63 -1.51 0.00 0.00 177.10 175.97 3ktb s ILE 22 N 1.97 4.92 -0.31 0.60 1.09 -1.26 -4.94 121.20 123.27 3ktb s ILE 22 Ca 0.10 1.39 -0.29 0.00 -1.10 0.00 0.00 60.65 60.75 3ktb s ILE 22 Cb -0.17 -4.04 0.01 0.00 -1.06 0.00 0.00 42.46 37.20 3ktb s ILE 22 CO 0.12 0.01 1.18 0.21 -0.10 0.00 0.00 174.94 176.36 3ktb s ASN 23 N 1.30 6.82 0.47 3.58 3.84 -1.26 -4.91 114.94 124.77 3ktb s ASN 23 Ca 0.32 1.12 0.16 0.00 0.21 0.00 0.00 52.86 54.67 3ktb s ASN 23 Cb -0.16 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.13 3ktb s ASN 23 CO 0.09 -0.97 2.03 -0.65 -2.79 0.00 0.00 177.10 174.81 3ktb h PRO 24 N 8.62 0.25 -0.26 0.43 0.11 -2.01 0.62 132.00 139.77 3ktb h PRO 24 Ca -0.23 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 3ktb h PRO 24 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3ktb h PRO 24 CO 1.03 0.17 -0.34 0.93 -0.21 0.00 0.00 178.00 179.58 3ktb h GLU 25 N 0.26 0.56 -0.98 1.05 4.39 -2.04 -1.40 114.58 116.42 3ktb h GLU 25 Ca 0.20 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ktb h GLU 25 Cb 0.44 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3ktb h GLU 25 CO -0.04 0.82 0.00 1.28 -1.16 0.00 0.00 179.01 179.92 3ktb n LEU 26 N -4.06 0.84 0.00 1.33 4.77 0.21 -1.72 117.00 118.37 3ktb n LEU 26 Ca -0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3ktb n LEU 26 Cb 0.48 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3ktb n LEU 26 CO 0.44 0.16 0.00 -1.14 -1.33 0.00 0.00 177.39 175.52 3ktb n ARG 28 N 0.53 0.00 0.01 3.23 0.63 -0.53 -1.21 116.66 119.32 3ktb n ARG 28 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3ktb n ARG 28 Cb 0.16 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.23 3ktb n ARG 28 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 3ktb h ILE 29 N 0.00 1.29 -0.51 5.15 6.09 -1.61 -1.48 117.51 126.44 3ktb h ILE 29 Ca 0.00 -1.44 -0.01 0.00 -1.37 0.00 0.00 64.86 62.04 3ktb h ILE 29 Cb 0.00 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 3ktb h ILE 29 CO 0.00 0.45 0.29 0.00 -3.07 0.00 0.00 178.15 175.83 3ktb h ALA 30 N 1.22 0.65 -0.45 0.18 0.00 -1.42 -0.60 119.26 118.84 3ktb h ALA 30 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ktb h ALA 30 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3ktb h ALA 30 CO 0.06 0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.99 3ktb h VAL 31 N 0.68 1.16 -0.50 0.00 2.07 -1.75 -0.06 116.25 117.85 3ktb h VAL 31 Ca 0.18 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3ktb h VAL 31 Cb 0.02 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3ktb h VAL 31 CO -0.03 0.17 0.22 0.58 0.02 0.00 0.00 177.57 178.53 3ktb h VAL 32 N 0.58 0.91 -0.16 2.57 2.07 -1.01 -1.56 116.25 119.64 3ktb h VAL 32 Ca 0.16 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3ktb h VAL 32 Cb 0.06 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ktb h VAL 32 CO -0.02 0.08 -0.32 0.40 0.02 0.00 0.00 177.57 177.72 3ktb h ILE 33 N 0.43 1.28 -0.17 4.57 2.04 -0.66 -1.14 117.51 123.85 3ktb h ILE 33 Ca 0.23 -1.34 -0.12 0.00 1.00 0.00 0.00 64.86 64.62 3ktb h ILE 33 Cb 0.18 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3ktb h ILE 33 CO -0.19 0.41 -0.42 -0.08 0.00 0.00 0.00 178.15 177.87 3ktb h GLU 34 N 0.29 0.41 -0.27 2.37 4.57 -0.57 -0.93 114.58 120.46 3ktb h GLU 34 Ca 0.04 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 57.89 3ktb h GLU 34 Cb 0.71 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3ktb h GLU 34 CO 0.05 0.76 -0.32 0.77 -1.18 0.00 0.00 179.01 179.10 3ktb h SER 35 N 0.34 0.74 0.04 1.04 0.02 -0.52 -2.17 113.55 113.04 3ktb h SER 35 Ca 0.03 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 3ktb h SER 35 Cb 0.88 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3ktb h SER 35 CO 0.07 1.08 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.68 3ktb h LEU 36 N 0.41 -0.26 -1.15 5.07 3.38 -1.19 -1.91 115.31 119.66 3ktb h LEU 36 Ca 0.04 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.30 3ktb h LEU 36 Cb 0.89 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 3ktb h LEU 36 CO 0.08 -0.14 0.63 0.50 0.09 0.00 0.00 178.44 179.59 3ktb h LYS 37 N -0.19 0.48 0.00 1.13 3.64 0.03 0.36 116.57 122.03 3ktb h LYS 37 Ca 0.02 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3ktb h LYS 37 Cb 0.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ktb h LYS 37 CO -0.07 0.32 -0.45 0.87 -2.27 0.00 0.00 179.45 177.85 3ktb h LYS 38 N 0.50 0.00 0.00 1.90 1.57 -0.71 -1.65 116.57 118.17 3ktb h LYS 38 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 3ktb h LYS 38 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3ktb h LYS 38 CO -0.40 0.45 0.00 1.04 -0.57 0.00 0.00 179.45 179.97 3ktb n GLN 39 N -3.46 0.85 -0.97 3.15 1.13 0.11 -4.86 117.38 113.33 3ktb n GLN 39 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3ktb n GLN 39 Cb 0.59 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.59 3ktb n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ktb n GLY 40 N 0.60 0.41 3.32 1.08 0.00 -0.62 -5.04 105.19 104.94 3ktb n GLY 40 Ca 0.14 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 3ktb n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktb s ILE 41 N -2.00 3.28 -0.33 -0.61 1.01 -0.27 -4.97 121.20 117.31 3ktb s ILE 41 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 3ktb s ILE 41 Cb 0.00 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 40.02 3ktb s ILE 41 CO 0.00 0.45 0.13 -0.63 0.00 0.00 0.00 174.94 174.89 3ktb s ILE 42 N 1.19 4.17 -0.45 2.92 -1.09 -1.26 -1.43 121.20 125.25 3ktb s ILE 42 Ca 0.02 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 57.50 3ktb s ILE 42 Cb -0.14 -3.25 0.07 0.00 -1.58 0.00 0.00 42.46 37.56 3ktb s ILE 42 CO -0.02 -0.07 0.35 -0.69 -1.23 0.00 0.00 174.94 173.28 3ktb s VAL 43 N 1.51 4.96 0.11 2.92 1.01 -1.26 -4.79 120.40 124.85 3ktb s VAL 43 Ca 0.02 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 3ktb s VAL 43 Cb -0.18 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3ktb s VAL 43 CO 0.04 -0.53 1.29 -0.89 0.00 0.00 0.00 175.10 175.02 3ktb s THR 44 N 1.59 3.59 0.12 3.92 2.01 -1.22 -4.89 115.64 120.76 3ktb s THR 44 Ca 0.04 1.17 0.09 0.00 0.31 0.00 0.00 61.69 63.30 3ktb s THR 44 Cb -0.23 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3ktb s THR 44 CO 0.06 0.11 -0.23 0.00 -0.69 0.00 0.00 174.62 173.87 3ktb s ARG 45 N 0.82 1.25 0.08 4.92 1.70 -1.26 -0.76 118.95 125.71 3ktb s ARG 45 Ca 0.60 -1.27 0.09 0.00 -0.47 0.00 0.00 55.73 54.69 3ktb s ARG 45 Cb -0.34 -1.57 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 3ktb s ARG 45 CO 0.31 0.36 -0.25 -1.01 -1.08 0.00 0.00 175.30 173.64 3ktb s HIS 46 N -1.26 2.16 -0.22 5.89 3.76 0.96 -4.96 115.29 121.62 3ktb s HIS 46 Ca 0.11 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 3ktb s HIS 46 Cb -0.09 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.36 3ktb s HIS 46 CO 0.05 0.21 -0.04 1.21 -0.85 0.00 0.00 174.74 175.32 3ktb s ASN 47 N -1.63 4.28 0.51 1.40 3.84 -1.26 -0.45 114.94 121.63 3ktb s ASN 47 Ca 0.11 -0.41 0.24 0.00 0.21 0.00 0.00 52.86 53.01 3ktb s ASN 47 Cb -0.10 -1.73 1.32 0.00 -0.55 0.00 0.00 41.25 40.19 3ktb s ASN 47 CO 0.04 -0.02 1.97 0.25 -2.79 0.00 0.00 177.10 176.54 3ktb h LEU 48 N 8.11 0.10 -1.67 3.21 5.85 -1.62 -0.48 115.31 128.80 3ktb h LEU 48 Ca -0.41 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3ktb h LEU 48 Cb 1.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3ktb h LEU 48 CO 0.60 0.05 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.48 3ktb h ARG 49 N 0.10 0.00 0.00 1.25 2.43 -1.90 -3.28 114.38 112.99 3ktb h ARG 49 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3ktb h ARG 49 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3ktb h ARG 49 CO -0.03 0.19 -1.33 -0.25 -1.51 0.00 0.00 179.97 177.04 3ktb n ASP 50 N -4.12 3.10 -2.80 -3.80 8.00 -0.31 -4.76 116.55 111.85 3ktb n ASP 50 Ca -0.02 -0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 3ktb n ASP 50 Cb 0.26 1.35 -0.00 0.00 -0.02 0.00 0.00 41.12 42.70 3ktb n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ktb n GLU 51 N -1.75 2.03 0.21 -1.24 1.02 -0.47 -4.90 120.64 115.54 3ktb n GLU 51 Ca -0.01 -3.88 0.07 0.00 -0.02 0.00 0.00 57.16 53.32 3ktb n GLU 51 Cb 0.20 -1.78 0.59 0.00 -0.02 0.00 0.00 31.44 30.43 3ktb n GLU 51 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ktb h PRO 52 N 2.90 0.09 -0.15 3.49 0.13 -1.79 -2.63 132.00 134.03 3ktb h PRO 52 Ca 0.09 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 3ktb h PRO 52 Cb 0.94 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3ktb h PRO 52 CO 0.64 0.08 -0.40 -0.56 -0.23 0.00 0.00 178.00 177.54 3ktb h GLN 53 N 0.10 0.33 0.00 0.86 -0.00 -1.91 -2.25 115.11 112.24 3ktb h GLN 53 Ca 0.03 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 3ktb h GLN 53 Cb 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.50 3ktb h GLN 53 CO -0.00 0.68 -0.16 -0.24 -0.00 0.00 0.00 178.83 179.11 3ktb h VAL 54 N 0.28 0.58 0.00 1.86 3.04 -1.89 0.60 116.25 120.71 3ktb h VAL 54 Ca 0.03 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 3ktb h VAL 54 Cb 0.83 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 3ktb h VAL 54 CO 0.07 0.16 0.00 1.88 -1.01 0.00 0.00 177.57 178.66 3ktb h TYR 55 N 0.00 0.00 0.05 3.17 0.05 -1.52 -1.92 116.97 116.81 3ktb h TYR 55 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 3ktb h TYR 55 Cb 0.46 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3ktb h TYR 55 CO 0.00 0.00 -1.79 0.28 -1.05 0.00 0.00 178.16 175.60 3ktb n VAL 56 N -2.81 1.64 0.08 -2.88 0.31 -0.25 -3.29 118.33 111.14 3ktb n VAL 56 Ca 0.02 -0.37 -0.06 0.00 -0.01 0.00 0.00 64.34 63.93 3ktb n VAL 56 Cb 0.36 -1.85 0.09 0.00 -0.91 0.00 0.00 33.84 31.53 3ktb n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3ktb h SER 57 N -0.47 0.26 -3.10 4.52 4.64 -0.93 -3.39 113.55 115.09 3ktb h SER 57 Ca -0.43 -0.17 -0.57 0.00 -0.47 0.00 0.00 61.79 60.15 3ktb h SER 57 Cb 1.69 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.66 3ktb h SER 57 CO -0.09 0.86 1.12 0.21 -0.87 0.00 0.00 176.83 178.06 3ktb s ASN 58 N -6.90 6.24 0.20 4.97 3.84 -0.72 -4.86 114.94 117.69 3ktb s ASN 58 Ca -0.04 1.00 -0.09 0.00 0.21 0.00 0.00 52.86 53.94 3ktb s ASN 58 Cb 0.11 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.40 3ktb s ASN 58 CO 0.80 -1.48 1.73 0.11 -2.79 0.00 0.00 177.10 175.48 3ktb h LYS 59 N 11.21 1.10 -0.37 0.43 6.56 -1.91 0.13 116.57 133.73 3ktb h LYS 59 Ca -0.29 -0.24 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 3ktb h LYS 59 Cb 1.12 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.61 3ktb h LYS 59 CO 1.07 0.94 0.15 1.15 -2.06 0.00 0.00 179.45 180.70 3ktb h THR 60 N 1.05 1.19 -0.32 -0.16 2.02 -1.92 0.14 112.91 114.90 3ktb h THR 60 Ca 0.23 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 3ktb h THR 60 Cb 0.30 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3ktb h THR 60 CO -0.01 0.20 -0.08 0.58 0.37 0.00 0.00 175.52 176.59 3ktb h VAL 61 N 0.45 1.28 -0.34 3.16 2.07 -1.81 -2.54 116.25 118.52 3ktb h VAL 61 Ca 0.12 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3ktb h VAL 61 Cb 0.18 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3ktb h VAL 61 CO -0.01 0.37 0.05 -1.13 0.02 0.00 0.00 177.57 176.87 3ktb h ASN 62 N 0.40 -0.02 -0.31 0.57 -1.24 -0.54 -0.77 115.58 113.68 3ktb h ASN 62 Ca 0.08 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 3ktb h ASN 62 Cb 0.58 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 3ktb h ASN 62 CO 0.03 0.02 -0.09 0.44 -1.29 0.00 0.00 177.43 176.55 3ktb h ASP 63 N 0.16 0.71 -0.43 1.15 3.32 -0.74 -1.24 116.42 119.35 3ktb h ASP 63 Ca 0.16 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3ktb h ASP 63 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ktb h ASP 63 CO -0.23 0.83 -0.08 0.15 -1.72 0.00 0.00 179.24 178.19 3ktb h PHE 64 N 0.66 0.96 -0.45 4.55 3.57 -0.99 -2.61 116.94 122.63 3ktb h PHE 64 Ca 0.12 -0.17 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3ktb h PHE 64 Cb 0.54 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3ktb h PHE 64 CO 0.03 0.91 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.74 3ktb h LEU 65 N 0.80 0.93 -1.56 0.59 3.38 -0.76 -0.13 115.31 118.56 3ktb h LEU 65 Ca 0.14 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3ktb h LEU 65 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ktb h LEU 65 CO 0.04 1.10 0.33 1.56 0.09 0.00 0.00 178.44 181.56 3ktb h GLN 66 N 0.79 0.57 0.14 1.13 1.08 -0.99 0.65 115.11 118.47 3ktb h GLN 66 Ca 0.11 -0.03 -0.33 0.00 -1.45 0.00 0.00 58.65 56.94 3ktb h GLN 66 Cb 0.76 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3ktb h GLN 66 CO 0.06 0.38 -1.67 -0.22 -0.95 0.00 0.00 178.83 176.43 3ktb h LYS 67 N 0.58 0.30 0.00 1.46 3.64 -1.09 -3.41 116.57 118.05 3ktb h LYS 67 Ca 0.20 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3ktb h LYS 67 Cb 0.07 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ktb h LYS 67 CO -0.05 1.17 -0.33 0.72 -2.27 0.00 0.00 179.45 178.69 3ktb n HIS 68 N -3.49 0.00 -0.78 1.91 8.25 -0.10 -5.12 115.22 115.89 3ktb n HIS 68 Ca -0.21 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.29 3ktb n HIS 68 Cb 1.06 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.15 3ktb n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ktb n GLY 69 N 1.40 -2.14 0.24 -1.41 0.00 0.23 -3.94 105.19 99.57 3ktb n GLY 69 Ca 0.00 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.75 3ktb n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktb h ALA 70 N -0.32 1.00 -0.58 4.61 0.00 -1.96 0.94 119.26 122.95 3ktb h ALA 70 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3ktb h ALA 70 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ktb h ALA 70 CO 0.00 0.00 0.48 -0.44 0.00 0.00 0.00 179.25 179.30 3ktb h ASP 71 N 0.00 0.00 1.08 0.00 3.32 -1.97 -1.24 116.42 117.61 3ktb h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ktb h ASP 71 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ktb h ASP 71 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3ktb h ALA 72 N 1.58 1.00 -2.25 3.45 0.00 -0.94 -3.44 119.26 118.66 3ktb h ALA 72 Ca 0.28 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.72 3ktb h ALA 72 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3ktb h ALA 72 CO -0.00 0.00 0.27 -0.51 0.00 0.00 0.00 179.25 179.01 3ktb s LEU 73 N -4.68 4.10 0.40 0.00 1.43 -0.47 -1.32 118.68 118.14 3ktb s LEU 73 Ca 0.06 1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 3ktb s LEU 73 Cb 0.10 -4.22 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 3ktb s LEU 73 CO 0.49 -0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.73 3ktb s PRO 74 N -2.74 4.16 -0.17 1.29 0.04 -1.26 -4.29 135.00 132.03 3ktb s PRO 74 Ca 0.56 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 3ktb s PRO 74 Cb -0.12 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 3ktb s PRO 74 CO 0.17 -0.14 0.02 0.42 0.04 0.00 0.00 177.00 177.51 3ktb s ILE 75 N -1.70 4.38 -0.24 0.56 1.01 -0.46 -0.97 121.20 123.79 3ktb s ILE 75 Ca 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 3ktb s ILE 75 Cb -0.21 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3ktb s ILE 75 CO 0.26 0.48 0.04 -0.89 0.00 0.00 0.00 174.94 174.83 3ktb s THR 76 N 0.32 4.11 -0.00 2.92 2.01 0.20 -0.47 115.64 124.72 3ktb s THR 76 Ca 0.00 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 3ktb s THR 76 Cb -0.13 -2.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 3ktb s THR 76 CO 0.01 0.37 0.47 -0.76 -0.69 0.00 0.00 174.62 174.03 3ktb s LEU 77 N 1.47 4.45 -0.14 4.42 1.43 0.87 -0.79 118.68 130.38 3ktb s LEU 77 Ca 0.05 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3ktb s LEU 77 Cb -0.15 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.40 3ktb s LEU 77 CO 0.02 0.24 -0.04 -0.69 0.23 0.00 0.00 176.35 176.11 3ktb s VAL 78 N -0.74 0.95 -1.51 -1.59 1.01 0.11 -1.12 120.40 117.51 3ktb s VAL 78 Ca 0.26 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3ktb s VAL 78 Cb -0.17 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.14 3ktb s VAL 78 CO 0.15 0.17 0.49 0.47 0.00 0.00 0.00 175.10 176.37 3ktb n ASP 79 N 4.94 -1.08 0.00 3.32 8.00 0.62 -2.87 116.55 129.48 3ktb n ASP 79 Ca -0.11 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3ktb n ASP 79 Cb 0.48 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 3ktb n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktb n GLY 80 N -1.88 2.12 3.47 0.44 0.00 -1.26 -5.01 105.19 103.07 3ktb n GLY 80 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3ktb n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ktb s GLU 81 N -0.25 1.67 0.01 1.61 -1.05 -1.14 -4.95 118.70 114.61 3ktb s GLU 81 Ca 0.00 -1.58 -0.30 0.00 -0.15 0.00 0.00 54.97 52.94 3ktb s GLU 81 Cb 0.00 -1.87 -0.06 0.00 -0.44 0.00 0.00 34.13 31.76 3ktb s GLU 81 CO 0.00 0.38 1.52 0.42 0.95 0.00 0.00 175.26 178.53 3ktb s ILE 82 N -2.00 3.49 -0.08 1.83 1.01 -1.26 -0.71 121.20 123.48 3ktb s ILE 82 Ca 0.25 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.79 3ktb s ILE 82 Cb -0.07 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 3ktb s ILE 82 CO 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 174.94 175.04 3ktb n ALA 83 N 5.78 1.82 -2.96 9.38 0.00 0.03 -4.89 120.51 129.66 3ktb n ALA 83 Ca 0.15 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 3ktb n ALA 83 Cb 0.43 0.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 3ktb n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ktb s VAL 84 N -2.17 0.03 -0.01 0.00 1.01 -1.16 -5.01 120.40 113.10 3ktb s VAL 84 Ca -0.07 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3ktb s VAL 84 Cb 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.23 3ktb s VAL 84 CO 0.26 -0.14 -0.06 -0.55 0.00 0.00 0.00 175.10 174.60 3ktb s SER 85 N -0.43 0.77 0.00 3.32 0.15 -1.26 -0.63 113.70 115.62 3ktb s SER 85 Ca -0.05 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.48 3ktb s SER 85 Cb -0.03 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 3ktb s SER 85 CO 0.00 0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.52 3ktb n GLN 86 N 2.94 0.00 -4.39 5.44 6.02 -0.14 -4.91 117.38 122.34 3ktb n GLN 86 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.66 3ktb n GLN 86 Cb 0.58 -0.22 -0.10 0.00 1.02 0.00 0.00 30.24 31.51 3ktb n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ktb s THR 87 N -0.31 1.54 0.39 5.09 -4.23 -1.26 -4.41 115.64 112.46 3ktb s THR 87 Ca 0.00 -2.12 -0.22 0.00 -1.18 0.00 0.00 61.69 58.16 3ktb s THR 87 Cb 0.00 -2.34 -0.11 0.00 1.34 0.00 0.00 72.50 71.40 3ktb s THR 87 CO 0.00 -0.37 0.94 -0.31 -0.54 0.00 0.00 174.62 174.34 3ktb s TYR 88 N -3.08 3.43 0.38 3.99 2.02 -1.26 -4.78 117.35 118.04 3ktb s TYR 88 Ca 0.28 1.64 -0.24 0.00 -0.37 0.00 0.00 57.07 58.38 3ktb s TYR 88 Cb 0.03 -2.86 -0.13 0.00 -0.40 0.00 0.00 41.96 38.61 3ktb s TYR 88 CO 0.10 -0.01 0.72 -2.30 -1.57 0.00 0.00 175.55 172.49 3ktb n PRO 89 N -0.27 0.81 -1.42 -1.71 -0.02 -1.26 -4.96 135.00 126.17 3ktb n PRO 89 Ca 0.05 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 3ktb n PRO 89 Cb 0.53 -1.62 0.07 0.00 -0.02 0.00 0.00 33.50 32.46 3ktb n PRO 89 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ktb s THR 90 N -1.31 3.50 0.31 3.45 -4.23 -1.26 -4.94 115.64 111.15 3ktb s THR 90 Ca 0.62 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 3ktb s THR 90 Cb -0.64 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.30 3ktb s THR 90 CO 0.58 -0.61 1.86 0.74 -0.54 0.00 0.00 174.62 176.65 3ktb h THR 91 N -0.84 1.21 -0.43 3.99 2.02 -1.98 -1.73 112.91 115.15 3ktb h THR 91 Ca -0.44 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.05 3ktb h THR 91 Cb 1.23 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 3ktb h THR 91 CO 0.53 0.28 0.11 0.50 0.37 0.00 0.00 175.52 177.31 3ktb h LYS 92 N 0.71 0.25 -0.61 6.66 3.64 -1.95 -0.75 116.57 124.51 3ktb h LYS 92 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ktb h LYS 92 Cb 0.27 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3ktb h LYS 92 CO -0.00 0.16 0.00 1.04 -2.27 0.00 0.00 179.45 178.38 3ktb n GLN 93 N -5.07 0.00 0.00 1.90 6.02 -0.65 -1.60 117.38 117.98 3ktb n GLN 93 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ktb n GLN 93 Cb 0.19 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3ktb n GLN 93 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ktb n SER 95 N 0.60 0.00 -0.09 1.08 7.64 -0.29 -1.14 113.62 121.42 3ktb n SER 95 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3ktb n SER 95 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3ktb n SER 95 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3ktb h GLU 96 N 0.00 0.81 -0.02 1.43 5.08 -1.56 0.70 114.58 121.02 3ktb h GLU 96 Ca 0.00 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 3ktb h GLU 96 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ktb h GLU 96 CO 0.00 0.99 -0.78 -1.49 -1.00 0.00 0.00 179.01 176.73 3ktb h TRP 97 N 0.70 0.32 0.00 4.33 6.55 -1.41 -3.25 115.95 123.18 3ktb h TRP 97 Ca 0.08 -0.16 -0.17 0.00 0.95 0.00 0.00 58.89 59.60 3ktb h TRP 97 Cb 0.81 -0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 29.04 3ktb h TRP 97 CO 0.04 0.92 -1.66 0.25 -1.05 0.00 0.00 178.44 176.95 3ktb n THR 98 N -3.74 1.02 -1.38 1.49 -2.24 -1.17 -2.62 114.28 105.64 3ktb n THR 98 Ca -0.03 -0.69 -0.08 0.00 -2.27 0.00 0.00 64.05 60.98 3ktb n THR 98 Cb 0.74 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3ktb n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktb n GLY 99 N 1.43 0.86 3.75 3.38 0.00 0.24 -4.90 105.19 109.94 3ktb n GLY 99 Ca -0.12 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 3ktb n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktb s VAL 100 N -2.32 4.67 -0.64 1.61 1.01 -1.09 -5.03 120.40 118.62 3ktb s VAL 100 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3ktb s VAL 100 Cb 0.00 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.42 3ktb s VAL 100 CO 0.00 0.54 0.93 0.21 0.00 0.00 0.00 175.10 176.78 3ktb s ASN 101 N -1.15 6.19 0.00 3.32 2.47 -1.26 -4.39 114.94 120.13 3ktb s ASN 101 Ca 0.16 -0.95 0.31 0.00 0.42 0.00 0.00 52.86 52.80 3ktb s ASN 101 Cb -0.12 -2.41 1.67 0.00 -1.45 0.00 0.00 41.25 38.94 3ktb s ASN 101 CO 0.06 -1.37 2.09 0.18 -3.72 0.00 0.00 177.10 174.34