#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktb s LYS 2 N 0.00 1.01 -0.11 0.00 1.02 -1.26 -5.11 119.74 115.29 3ktb s LYS 2 Ca 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 3ktb s LYS 2 Cb 0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.21 3ktb s LYS 2 CO 0.00 -0.15 0.77 0.21 -0.92 0.00 0.00 175.35 175.25 3ktb s LYS 3 N 1.28 4.38 -0.13 1.68 2.20 -1.26 -4.88 119.74 123.01 3ktb s LYS 3 Ca -0.05 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 3ktb s LYS 3 Cb -0.14 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 3ktb s LYS 3 CO -0.02 -0.12 -0.15 0.42 -0.36 0.00 0.00 175.35 175.12 3ktb s ILE 4 N 1.41 2.83 -0.03 5.43 1.01 -1.26 0.14 121.20 130.73 3ktb s ILE 4 Ca 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3ktb s ILE 4 Cb -0.17 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.14 3ktb s ILE 4 CO 0.16 0.53 0.01 -0.70 0.00 0.00 0.00 174.94 174.94 3ktb s GLU 5 N 0.43 0.26 -0.13 2.79 2.12 -0.16 -3.32 118.70 120.69 3ktb s GLU 5 Ca -0.11 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 3ktb s GLU 5 Cb -0.16 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 3ktb s GLU 5 CO 0.05 -0.16 -0.08 0.42 -0.54 0.00 0.00 175.26 174.95 3ktb s ILE 6 N 1.13 3.50 -0.41 -3.70 1.01 0.11 -0.60 121.20 122.24 3ktb s ILE 6 Ca -0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 3ktb s ILE 6 Cb -0.13 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 39.95 3ktb s ILE 6 CO -0.02 0.53 0.23 -0.36 0.00 0.00 0.00 174.94 175.31 3ktb s PHE 7 N 0.10 3.48 0.75 3.97 0.08 0.61 -0.70 117.98 126.28 3ktb s PHE 7 Ca -0.03 -2.08 -0.11 0.00 0.12 0.00 0.00 56.93 54.83 3ktb s PHE 7 Cb -0.14 -3.13 0.04 0.00 -0.57 0.00 0.00 43.02 39.22 3ktb s PHE 7 CO 0.04 -0.94 1.08 -0.51 -0.10 0.00 0.00 175.22 174.79 3ktb s ASP 8 N 2.01 4.86 1.39 1.36 1.01 0.38 -1.58 116.67 126.11 3ktb s ASP 8 Ca 0.05 1.49 -0.22 0.00 0.71 0.00 0.00 52.55 54.58 3ktb s ASP 8 Cb -0.23 -2.28 0.36 0.00 1.01 0.00 0.00 42.92 41.77 3ktb s ASP 8 CO -0.02 -1.76 0.96 -2.84 0.21 0.00 0.00 175.17 171.72 3ktb s PRO 9 N -5.08 -2.71 0.73 8.23 0.02 -1.26 -3.16 135.00 131.78 3ktb s PRO 9 Ca 0.60 0.09 -0.14 0.00 0.02 0.00 0.00 61.00 61.56 3ktb s PRO 9 Cb -0.15 -1.41 0.04 0.00 0.02 0.00 0.00 34.50 33.01 3ktb s PRO 9 CO 0.55 -4.72 1.16 0.00 -0.33 0.00 0.00 177.00 173.66 3ktb s ALA 10 N -2.40 2.16 -0.70 -1.55 0.00 -1.26 -2.98 121.76 115.03 3ktb s ALA 10 Ca 0.69 0.70 0.10 0.00 0.00 0.00 0.00 51.96 53.45 3ktb s ALA 10 Cb -0.12 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3ktb s ALA 10 CO 0.57 -1.80 0.52 0.00 0.00 0.00 0.00 175.76 175.06 3ktb h PRO 14 N 2.13 0.00 0.00 0.00 0.11 -2.01 -2.58 132.00 129.66 3ktb h PRO 14 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ktb h PRO 14 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ktb h PRO 14 CO 0.34 0.17 -1.01 0.25 -0.21 0.00 0.00 178.00 177.54 3ktb n THR 15 N -4.11 0.11 -0.98 -1.15 -2.24 -1.26 -4.94 114.28 99.71 3ktb n THR 15 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3ktb n THR 15 Cb 0.24 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.40 0.88 2.63 3.38 0.00 -0.97 -4.91 105.19 107.60 3ktb n GLY 16 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 7.48 -0.42 0.99 4.77 -1.26 -4.66 117.00 123.90 3ktb n LEU 17 Ca 0.00 -5.03 0.08 0.00 -0.03 0.00 0.00 56.01 51.03 3ktb n LEU 17 Cb 0.00 -1.21 0.01 0.00 -2.33 0.00 0.00 43.42 39.89 3ktb n LEU 17 CO 0.00 1.97 0.29 0.00 -1.33 0.00 0.00 177.39 178.32 3ktb n GLY 19 N 1.17 6.26 0.14 0.00 0.00 -1.26 -5.06 105.19 106.43 3ktb n GLY 19 Ca 0.07 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 3ktb n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ktb h THR 20 N 0.23 1.44 -3.66 2.61 2.02 -2.00 -3.42 112.91 110.14 3ktb h THR 20 Ca 0.00 -2.18 -0.56 0.00 0.77 0.00 0.00 66.41 64.44 3ktb h THR 20 Cb 0.00 2.72 -0.07 0.00 -1.74 0.00 0.00 68.15 69.06 3ktb h THR 20 CO 0.00 0.63 0.92 0.20 0.37 0.00 0.00 175.52 177.65 3ktb s ASN 21 N -6.82 6.66 -0.42 4.18 0.01 -1.26 -5.00 114.94 112.29 3ktb s ASN 21 Ca -0.13 0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 52.27 3ktb s ASN 21 Cb 0.03 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.16 3ktb s ASN 21 CO 0.83 -1.22 1.24 -0.63 -1.51 0.00 0.00 177.10 175.81 3ktb s ILE 22 N 4.40 4.13 -0.04 0.60 -1.09 -1.26 -4.92 121.20 123.01 3ktb s ILE 22 Ca 0.48 1.19 -0.30 0.00 -2.23 0.00 0.00 60.65 59.80 3ktb s ILE 22 Cb -0.08 -4.40 -0.06 0.00 -1.58 0.00 0.00 42.46 36.34 3ktb s ILE 22 CO 0.30 -0.80 1.75 0.21 -1.23 0.00 0.00 174.94 175.16 3ktb s ASN 23 N 2.88 6.56 0.34 3.58 3.84 -1.26 -4.90 114.94 125.98 3ktb s ASN 23 Ca 0.53 2.31 0.05 0.00 0.21 0.00 0.00 52.86 55.95 3ktb s ASN 23 Cb -0.11 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.68 3ktb s ASN 23 CO 0.29 -1.00 1.88 -0.65 -2.79 0.00 0.00 177.10 174.83 3ktb h PRO 24 N 10.02 0.51 -0.52 0.43 0.11 -2.02 -1.76 132.00 138.77 3ktb h PRO 24 Ca -0.42 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3ktb h PRO 24 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ktb h PRO 24 CO 0.95 0.54 0.21 0.93 -0.21 0.00 0.00 178.00 180.43 3ktb h GLU 25 N 0.49 0.77 -1.24 1.05 4.39 -2.04 0.27 114.58 118.27 3ktb h GLU 25 Ca 0.11 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3ktb h GLU 25 Cb 0.32 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3ktb h GLU 25 CO 0.01 0.68 0.00 1.28 -1.16 0.00 0.00 179.01 179.82 3ktb n LEU 26 N -4.54 0.20 0.00 1.33 4.77 -0.66 -1.32 117.00 116.77 3ktb n LEU 26 Ca 0.02 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3ktb n LEU 26 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3ktb n LEU 26 CO 0.38 0.04 0.00 -1.14 -1.33 0.00 0.00 177.39 175.34 3ktb n ARG 28 N 0.77 0.00 0.13 3.23 0.63 0.08 -1.14 116.66 120.36 3ktb n ARG 28 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3ktb n ARG 28 Cb 0.04 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.08 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 1.47 -0.64 5.15 6.09 -1.47 -1.91 117.51 126.21 3ktb h ILE 29 Ca 0.00 -2.26 -0.06 0.00 -1.37 0.00 0.00 64.86 61.16 3ktb h ILE 29 Cb 0.00 2.22 -0.03 0.00 0.47 0.00 0.00 36.82 39.48 3ktb h ILE 29 CO 0.00 0.65 0.15 0.00 -3.07 0.00 0.00 178.15 175.88 3ktb h ALA 30 N 1.33 0.85 -0.47 0.18 0.00 -1.37 -1.19 119.26 118.58 3ktb h ALA 30 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3ktb h ALA 30 Cb 1.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ktb h ALA 30 CO 0.09 0.57 0.02 0.28 0.00 0.00 0.00 179.25 180.20 3ktb h VAL 31 N 0.95 1.26 -0.36 0.00 2.07 -1.76 -0.69 116.25 117.73 3ktb h VAL 31 Ca 0.20 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.77 3ktb h VAL 31 Cb 0.37 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3ktb h VAL 31 CO 0.00 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.52 3ktb h VAL 32 N 0.66 0.73 -0.60 2.57 2.07 -1.14 -0.55 116.25 119.98 3ktb h VAL 32 Ca 0.13 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 3ktb h VAL 32 Cb 0.47 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ktb h VAL 32 CO 0.02 0.02 0.03 0.40 0.02 0.00 0.00 177.57 178.06 3ktb h ILE 33 N 0.09 1.26 -0.32 4.57 2.04 -0.85 0.12 117.51 124.42 3ktb h ILE 33 Ca 0.17 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3ktb h ILE 33 Cb 0.24 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ktb h ILE 33 CO -0.30 0.40 0.19 -0.33 0.00 0.00 0.00 178.15 178.11 3ktb h GLU 34 N 0.95 0.44 -0.80 2.37 4.39 -0.92 0.56 114.58 121.57 3ktb h GLU 34 Ca 0.18 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3ktb h GLU 34 Cb 0.50 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 3ktb h GLU 34 CO 0.02 0.35 0.39 0.77 -1.16 0.00 0.00 179.01 179.38 3ktb h SER 35 N 0.40 1.05 -0.54 1.42 0.02 -0.64 -1.25 113.55 114.01 3ktb h SER 35 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3ktb h SER 35 Cb 0.03 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3ktb h SER 35 CO -0.02 0.89 0.32 -0.07 -1.14 0.00 0.00 176.83 176.81 3ktb h LEU 36 N 1.14 0.66 -1.11 5.07 3.38 -0.76 -2.74 115.31 120.95 3ktb h LEU 36 Ca 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3ktb h LEU 36 Cb 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3ktb h LEU 36 CO -0.03 0.54 0.41 0.50 0.09 0.00 0.00 178.44 179.95 3ktb h LYS 37 N 0.73 1.03 -0.39 1.13 3.64 -0.45 0.10 116.57 122.35 3ktb h LYS 37 Ca 0.19 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3ktb h LYS 37 Cb 0.01 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3ktb h LYS 37 CO -0.03 0.75 0.27 0.87 -2.27 0.00 0.00 179.45 179.03 3ktb h LYS 38 N 1.03 0.25 -0.20 1.90 1.57 -0.94 -0.80 116.57 119.39 3ktb h LYS 38 Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ktb h LYS 38 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3ktb h LYS 38 CO -0.04 0.17 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 3ktb n GLN 39 N -4.47 1.57 -0.94 3.15 1.13 0.19 -4.88 117.38 113.12 3ktb n GLN 39 Ca 0.05 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.24 3ktb n GLN 39 Cb 0.27 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 0.96 0.53 3.59 1.08 0.00 -0.30 -5.02 105.19 106.04 3ktb n GLY 40 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.02 5.14 -0.31 -0.61 1.01 -0.25 -4.98 121.20 119.18 3ktb s ILE 41 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 3ktb s ILE 41 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3ktb s ILE 41 CO 0.00 0.31 0.17 -0.63 0.00 0.00 0.00 174.94 174.79 3ktb s ILE 42 N 1.42 4.84 -0.39 2.92 -1.09 -1.26 -2.73 121.20 124.91 3ktb s ILE 42 Ca 0.07 -0.29 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 3ktb s ILE 42 Cb -0.15 -3.44 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 3ktb s ILE 42 CO 0.07 0.08 0.24 -0.69 -1.23 0.00 0.00 174.94 173.42 3ktb s VAL 43 N 1.66 4.76 0.24 2.92 1.01 -1.26 -4.72 120.40 125.00 3ktb s VAL 43 Ca 0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3ktb s VAL 43 Cb -0.17 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 3ktb s VAL 43 CO 0.08 -0.29 0.66 0.42 0.00 0.00 0.00 175.10 175.96 3ktb s THR 44 N 1.58 4.73 0.12 3.92 -4.23 -1.21 -4.90 115.64 115.65 3ktb s THR 44 Ca 0.03 0.94 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 3ktb s THR 44 Cb -0.20 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3ktb s THR 44 CO 0.07 0.05 -0.10 0.00 -0.54 0.00 0.00 174.62 174.10 3ktb s ARG 45 N -2.42 0.95 0.11 3.99 1.70 -1.26 -0.71 118.95 121.32 3ktb s ARG 45 Ca 0.46 -1.33 0.06 0.00 -0.47 0.00 0.00 55.73 54.45 3ktb s ARG 45 Cb -0.13 -0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 3ktb s ARG 45 CO 0.19 0.07 -0.14 -1.01 -1.08 0.00 0.00 175.30 173.34 3ktb s HIS 46 N -3.02 1.34 -0.17 5.89 3.76 0.12 -4.95 115.29 118.26 3ktb s HIS 46 Ca 0.12 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3ktb s HIS 46 Cb 0.01 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 33.00 3ktb s HIS 46 CO -0.00 0.11 -0.18 1.21 -0.85 0.00 0.00 174.74 175.03 3ktb s ASN 47 N -2.35 3.35 0.58 1.40 3.84 -1.26 -0.47 114.94 120.03 3ktb s ASN 47 Ca 0.07 -0.58 0.28 0.00 0.21 0.00 0.00 52.86 52.83 3ktb s ASN 47 Cb -0.05 -1.52 1.65 0.00 -0.55 0.00 0.00 41.25 40.78 3ktb s ASN 47 CO 0.03 0.02 2.13 0.25 -2.79 0.00 0.00 177.10 176.74 3ktb h LEU 48 N 7.76 0.00 -0.46 3.21 5.85 -1.48 -1.70 115.31 128.49 3ktb h LEU 48 Ca -0.41 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.16 3ktb h LEU 48 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3ktb h LEU 48 CO 0.61 0.00 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.28 3ktb h ARG 49 N 0.00 0.91 0.00 1.25 2.43 -1.90 -3.10 114.38 113.97 3ktb h ARG 49 Ca 0.07 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3ktb h ARG 49 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3ktb h ARG 49 CO -0.00 1.10 -0.82 -0.40 -1.51 0.00 0.00 179.97 178.35 3ktb n ASP 50 N -4.07 0.80 -2.67 -3.80 5.68 -0.93 -4.60 116.55 106.97 3ktb n ASP 50 Ca -0.01 -0.73 -0.22 0.00 -0.50 0.00 0.00 54.79 53.32 3ktb n ASP 50 Cb 0.52 1.09 -0.00 0.00 -1.14 0.00 0.00 41.12 41.58 3ktb n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ktb n GLU 51 N -1.43 2.67 -0.28 0.11 1.02 -0.68 -4.88 120.64 117.16 3ktb n GLU 51 Ca 0.02 -4.20 0.12 0.00 -0.02 0.00 0.00 57.16 53.09 3ktb n GLU 51 Cb 0.25 -1.97 0.38 0.00 -0.02 0.00 0.00 31.44 30.07 3ktb n GLU 51 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ktb h PRO 52 N 2.79 0.66 -0.58 3.49 0.11 -1.75 -2.49 132.00 134.24 3ktb h PRO 52 Ca 0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3ktb h PRO 52 Cb 0.90 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 3ktb h PRO 52 CO 0.74 0.44 0.35 -0.56 -0.21 0.00 0.00 178.00 178.75 3ktb h GLN 53 N 0.68 0.78 0.00 1.05 -0.00 -1.90 -2.48 115.11 113.24 3ktb h GLN 53 Ca 0.46 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.65 58.98 3ktb h GLN 53 Cb 0.76 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 3ktb h GLN 53 CO -0.22 0.55 -0.33 -0.24 -0.00 0.00 0.00 178.83 178.59 3ktb h VAL 54 N 0.79 0.75 0.00 1.86 3.04 -1.86 0.06 116.25 120.89 3ktb h VAL 54 Ca 0.21 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 3ktb h VAL 54 Cb -0.03 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3ktb h VAL 54 CO -0.04 0.32 0.00 1.88 -1.01 0.00 0.00 177.57 178.72 3ktb h TYR 55 N 0.00 0.00 0.04 3.17 0.05 -1.53 -1.68 116.97 117.01 3ktb h TYR 55 Ca -0.00 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.40 3ktb h TYR 55 Cb 0.89 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.58 3ktb h TYR 55 CO 0.00 0.00 -2.21 0.28 -1.05 0.00 0.00 178.16 175.18 3ktb n VAL 56 N -2.72 1.59 0.16 -2.88 0.31 -0.56 -3.49 118.33 110.73 3ktb n VAL 56 Ca 0.02 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.89 3ktb n VAL 56 Cb 0.29 -1.67 0.16 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.28 0.00 -3.24 4.52 4.64 -1.02 -3.41 113.55 114.76 3ktb h SER 57 Ca -0.53 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.22 3ktb h SER 57 Cb 1.82 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.86 3ktb h SER 57 CO -0.11 0.44 0.99 0.21 -0.87 0.00 0.00 176.83 177.49 3ktb s ASN 58 N -6.42 6.58 0.10 4.97 3.84 -0.64 -4.89 114.94 118.48 3ktb s ASN 58 Ca 0.02 1.02 -0.16 0.00 0.21 0.00 0.00 52.86 53.95 3ktb s ASN 58 Cb 0.09 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 3ktb s ASN 58 CO 0.72 -1.19 1.53 0.50 -2.79 0.00 0.00 177.10 175.87 3ktb h LYS 59 N 9.65 0.58 -0.47 0.43 3.64 -1.90 0.20 116.57 128.69 3ktb h LYS 59 Ca -0.26 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3ktb h LYS 59 Cb 1.09 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3ktb h LYS 59 CO 1.06 0.73 0.29 1.15 -2.27 0.00 0.00 179.45 180.41 3ktb h THR 60 N 0.37 1.06 -0.18 1.00 2.02 -1.91 0.13 112.91 115.41 3ktb h THR 60 Ca 0.09 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3ktb h THR 60 Cb 0.48 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ktb h THR 60 CO 0.02 0.11 -0.06 0.58 0.37 0.00 0.00 175.52 176.54 3ktb h VAL 61 N 0.58 1.30 -0.48 3.16 2.07 -1.83 -2.85 116.25 118.19 3ktb h VAL 61 Ca 0.19 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3ktb h VAL 61 Cb -0.00 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3ktb h VAL 61 CO -0.08 0.32 0.29 -1.13 0.02 0.00 0.00 177.57 176.99 3ktb h ASN 62 N 0.05 0.47 -1.01 0.57 -1.24 -0.38 0.55 115.58 114.60 3ktb h ASN 62 Ca 0.04 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.07 3ktb h ASN 62 Cb 0.52 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 3ktb h ASN 62 CO 0.02 0.33 0.67 0.44 -1.29 0.00 0.00 177.43 177.60 3ktb h ASP 63 N 0.58 1.14 -0.28 1.15 3.32 -0.78 0.60 116.42 122.15 3ktb h ASP 63 Ca 0.19 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 3ktb h ASP 63 Cb 0.01 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3ktb h ASP 63 CO -0.08 0.82 -0.43 0.15 -1.72 0.00 0.00 179.24 177.97 3ktb h PHE 64 N 1.34 0.97 -0.16 4.55 3.57 -1.05 -2.36 116.94 123.81 3ktb h PHE 64 Ca 0.38 -0.33 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3ktb h PHE 64 Cb -0.12 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3ktb h PHE 64 CO -0.00 1.13 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.79 3ktb h LEU 65 N 0.54 0.34 -1.11 0.59 3.38 -0.63 0.54 115.31 118.95 3ktb h LEU 65 Ca 0.03 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ktb h LEU 65 Cb 1.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3ktb h LEU 65 CO 0.10 0.67 0.60 1.56 0.09 0.00 0.00 178.44 181.46 3ktb h GLN 66 N 0.28 1.13 0.07 1.13 1.08 -0.70 0.57 115.11 118.68 3ktb h GLN 66 Ca 0.03 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3ktb h GLN 66 Cb 0.75 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3ktb h GLN 66 CO 0.06 0.75 -0.03 -0.22 -0.95 0.00 0.00 178.83 178.43 3ktb h LYS 67 N 1.16 -0.09 -0.00 1.46 3.64 -0.98 -3.40 116.57 118.36 3ktb h LYS 67 Ca 0.36 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3ktb h LYS 67 Cb -0.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3ktb h LYS 67 CO -0.10 0.47 -0.44 0.72 -2.27 0.00 0.00 179.45 177.83 3ktb n HIS 68 N -4.83 0.00 0.00 1.91 8.25 0.14 -5.10 115.22 115.59 3ktb n HIS 68 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3ktb n HIS 68 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 1.16 -2.03 0.28 -1.41 0.00 0.20 -4.36 105.19 99.04 3ktb n GLY 69 Ca 0.04 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 1.14 0.00 4.61 0.00 -1.96 -1.33 119.26 121.71 3ktb h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ktb h ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ktb h ALA 70 CO 0.00 -0.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 3ktb n ASP 71 N -2.73 0.65 0.23 0.00 8.00 -1.26 -2.03 116.55 119.41 3ktb n ASP 71 Ca -0.02 0.67 0.16 0.00 0.71 0.00 0.00 54.79 56.31 3ktb n ASP 71 Cb 0.20 -0.81 0.62 0.00 -0.02 0.00 0.00 41.12 41.11 3ktb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ktb h ALA 72 N 2.24 1.00 -2.64 2.24 0.00 -1.44 -3.44 119.26 117.23 3ktb h ALA 72 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3ktb h ALA 72 Cb 0.33 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.16 3ktb h ALA 72 CO 0.00 0.00 0.46 -0.51 0.00 0.00 0.00 179.25 179.20 3ktb s LEU 73 N -5.65 4.13 0.32 0.00 1.43 -0.86 -0.37 118.68 117.69 3ktb s LEU 73 Ca 0.02 2.22 -0.27 0.00 -1.03 0.00 0.00 54.13 55.07 3ktb s LEU 73 Cb 0.09 -4.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 3ktb s LEU 73 CO 0.50 -0.67 1.03 -2.16 0.23 0.00 0.00 176.35 175.28 3ktb s PRO 74 N -2.47 4.50 -0.09 1.29 0.04 -1.26 -4.43 135.00 132.59 3ktb s PRO 74 Ca 0.59 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.22 3ktb s PRO 74 Cb -0.27 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 3ktb s PRO 74 CO 0.33 0.15 -0.11 0.42 0.04 0.00 0.00 177.00 177.83 3ktb s ILE 75 N -1.41 3.28 -0.15 0.56 1.01 -0.61 -1.86 121.20 122.01 3ktb s ILE 75 Ca 0.49 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 3ktb s ILE 75 Cb -0.25 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3ktb s ILE 75 CO 0.32 0.56 -0.14 -0.89 0.00 0.00 0.00 174.94 174.80 3ktb s THR 76 N -0.33 2.85 -0.14 2.92 2.01 0.45 -0.28 115.64 123.13 3ktb s THR 76 Ca 0.04 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3ktb s THR 76 Cb -0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 3ktb s THR 76 CO 0.02 0.51 0.14 -0.76 -0.69 0.00 0.00 174.62 173.84 3ktb s LEU 77 N 0.75 4.34 -0.17 4.42 1.43 0.23 -0.39 118.68 129.28 3ktb s LEU 77 Ca -0.06 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3ktb s LEU 77 Cb -0.15 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.02 3ktb s LEU 77 CO 0.01 0.35 -0.18 -0.69 0.23 0.00 0.00 176.35 176.08 3ktb s VAL 78 N -0.69 1.91 -1.58 -1.59 1.01 0.08 -0.99 120.40 118.55 3ktb s VAL 78 Ca 0.13 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 3ktb s VAL 78 Cb -0.12 -1.75 0.10 0.00 0.00 0.00 0.00 36.38 34.61 3ktb s VAL 78 CO 0.03 0.50 0.78 0.47 0.00 0.00 0.00 175.10 176.87 3ktb n ASP 79 N 4.66 -3.10 0.00 3.32 8.00 0.12 -1.84 116.55 127.71 3ktb n ASP 79 Ca -0.20 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3ktb n ASP 79 Cb 0.50 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 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 -1.61 1.94 3.71 0.44 0.00 -1.26 -5.01 105.19 103.39 3ktb n GLY 80 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3ktb n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ktb s GLU 81 N -0.00 2.77 0.07 1.61 2.02 -0.77 -4.92 118.70 119.47 3ktb s GLU 81 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 3ktb s GLU 81 Cb 0.00 -2.66 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 3ktb s GLU 81 CO 0.00 0.60 1.92 -0.89 0.02 0.00 0.00 175.26 176.91 3ktb n ILE 82 N 1.04 0.60 -0.03 -1.63 5.41 -1.26 -0.74 119.36 122.75 3ktb n ILE 82 Ca -0.13 -0.11 -0.04 0.00 1.00 0.00 0.00 62.75 63.48 3ktb n ILE 82 Cb 0.52 -2.22 -0.05 0.00 -0.71 0.00 0.00 39.64 37.18 3ktb n ILE 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ktb n ALA 83 N 6.73 1.83 -3.19 -1.39 0.00 0.48 -4.87 120.51 120.09 3ktb n ALA 83 Ca 0.19 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 3ktb n ALA 83 Cb 0.39 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.16 0.03 0.14 0.00 1.01 -1.12 -4.99 120.40 113.32 3ktb s VAL 84 Ca -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3ktb s VAL 84 Cb 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3ktb s VAL 84 CO 0.27 -0.15 0.05 -0.94 0.00 0.00 0.00 175.10 174.33 3ktb s SER 85 N -0.59 0.46 0.00 3.32 1.04 -1.26 -0.41 113.70 116.26 3ktb s SER 85 Ca -0.07 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.14 3ktb s SER 85 Cb -0.04 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3ktb s SER 85 CO 0.02 -0.71 0.00 0.00 0.98 0.00 0.00 173.24 173.53 3ktb n GLN 86 N -0.13 0.00 -4.38 4.02 1.13 0.51 -4.87 117.38 113.66 3ktb n GLN 86 Ca -0.05 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.82 3ktb n GLN 86 Cb 0.64 -0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.88 3ktb n GLN 86 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3ktb s THR 87 N 0.00 1.33 0.51 5.09 -4.23 -1.26 -4.29 115.64 112.79 3ktb s THR 87 Ca 0.00 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 3ktb s THR 87 Cb 0.00 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 3ktb s THR 87 CO 0.00 -0.32 1.02 -0.31 -0.54 0.00 0.00 174.62 174.47 3ktb s TYR 88 N -3.22 3.15 0.59 3.99 2.02 -1.26 -4.74 117.35 117.87 3ktb s TYR 88 Ca 0.29 1.54 -0.20 0.00 -0.37 0.00 0.00 57.07 58.33 3ktb s TYR 88 Cb 0.05 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 3ktb s TYR 88 CO 0.10 -0.68 1.25 -2.30 -1.57 0.00 0.00 175.55 172.35 3ktb n PRO 89 N -1.33 1.34 -1.47 -1.71 -0.02 -1.26 -4.96 135.00 125.60 3ktb n PRO 89 Ca 0.08 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3ktb n PRO 89 Cb 0.53 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.36 3.79 0.30 3.45 -4.23 -1.26 -4.93 115.64 111.40 3ktb s THR 90 Ca 0.76 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.85 3ktb s THR 90 Cb -0.41 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.46 3ktb s THR 90 CO 0.46 -0.76 1.94 0.74 -0.54 0.00 0.00 174.62 176.46 3ktb h THR 91 N -0.84 1.14 -0.33 3.99 2.02 -1.97 -2.19 112.91 114.72 3ktb h THR 91 Ca -0.44 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.29 3ktb h THR 91 Cb 1.22 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3ktb h THR 91 CO 0.55 0.19 -0.16 0.11 0.37 0.00 0.00 175.52 176.58 3ktb h LYS 92 N 1.06 0.60 -0.53 6.66 1.57 -1.98 0.69 116.57 124.64 3ktb h LYS 92 Ca 0.34 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3ktb h LYS 92 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ktb h LYS 92 CO -0.10 0.74 0.00 1.04 -0.57 0.00 0.00 179.45 180.56 3ktb n GLN 93 N -4.16 0.10 0.00 3.15 6.02 -0.82 -1.32 117.38 120.35 3ktb n GLN 93 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3ktb n GLN 93 Cb 0.37 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.48 3ktb n GLN 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ktb n SER 95 N 0.57 0.00 -0.03 1.08 2.88 0.23 -1.13 113.62 117.22 3ktb n SER 95 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3ktb n SER 95 Cb 0.03 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 3ktb n SER 95 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3ktb h GLU 96 N 0.00 0.07 0.00 -1.46 4.81 -1.46 -0.88 114.58 115.66 3ktb h GLU 96 Ca 0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3ktb h GLU 96 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3ktb h GLU 96 CO 0.00 0.04 -0.16 -1.49 -0.73 0.00 0.00 179.01 176.68 3ktb h TRP 97 N 0.07 0.00 0.00 0.92 6.55 -1.39 -3.20 115.95 118.90 3ktb h TRP 97 Ca 0.08 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.92 3ktb h TRP 97 Cb 0.10 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 3ktb h TRP 97 CO -0.16 0.16 -0.86 0.25 -1.05 0.00 0.00 178.44 176.78 3ktb n THR 98 N -3.75 0.00 -1.06 1.49 -2.24 -1.12 -4.25 114.28 103.34 3ktb n THR 98 Ca -0.02 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.50 3ktb n THR 98 Cb 0.27 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.44 0.49 3.59 3.38 0.00 -0.35 -5.01 105.19 108.72 3ktb n GLY 99 Ca 0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.77 4.58 -0.38 1.61 1.01 -1.21 -5.06 120.40 119.18 3ktb s VAL 100 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 3ktb s VAL 100 Cb 0.00 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3ktb s VAL 100 CO 0.00 0.45 1.62 0.21 0.00 0.00 0.00 175.10 177.38 3ktb s ASN 101 N 0.51 6.08 -0.21 3.32 2.47 -1.26 -4.44 114.94 121.41 3ktb s ASN 101 Ca 0.02 1.04 0.15 0.00 0.42 0.00 0.00 52.86 54.49 3ktb s ASN 101 Cb -0.13 -2.53 0.73 0.00 -1.45 0.00 0.00 41.25 37.87 3ktb s ASN 101 CO 0.01 -1.60 1.65 0.18 -3.72 0.00 0.00 177.10 173.62 3ktb n LEU 102 N 9.66 5.12 0.00 3.21 4.77 -1.26 -5.12 117.00 133.38 3ktb n LEU 102 Ca 0.20 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 3ktb n LEU 102 Cb 0.47 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3ktb n LEU 102 CO 0.69 0.66 0.14 0.47 -1.33 0.00 0.00 177.39 178.02