#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktf h ILE 5 N 0.00 0.89 -1.89 0.52 2.04 -1.92 -3.27 117.51 113.87 3ktf h ILE 5 Ca 0.00 -0.28 -0.63 0.00 1.00 0.00 0.00 64.86 64.95 3ktf h ILE 5 Cb 0.00 -0.01 -0.39 0.00 -0.74 0.00 0.00 36.82 35.68 3ktf h ILE 5 CO 0.00 0.15 -0.34 0.18 0.00 0.00 0.00 178.15 178.14 3ktf n LEU 6 N -4.57 5.20 -4.75 1.44 4.77 -1.26 -4.16 117.00 113.67 3ktf n LEU 6 Ca 0.17 -5.35 -0.33 0.00 -0.03 0.00 0.00 56.01 50.48 3ktf n LEU 6 Cb 0.39 -0.63 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 3ktf n LEU 6 CO 0.29 2.21 0.75 -1.59 -1.33 0.00 0.00 177.39 177.71 3ktf s LYS 7 N -3.65 2.45 -1.13 3.23 -2.85 -1.24 -3.10 119.74 113.45 3ktf s LYS 7 Ca 0.48 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.92 3ktf s LYS 7 Cb 0.35 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 3ktf s LYS 7 CO -0.20 -1.54 0.00 -0.25 0.10 0.00 0.00 175.35 173.47 3ktf n ASP 8 N -2.75 -5.30 -4.65 0.03 8.00 -1.26 -4.98 116.55 105.64 3ktf n ASP 8 Ca 0.11 0.26 -0.37 0.00 0.71 0.00 0.00 54.79 55.50 3ktf n ASP 8 Cb 0.52 -3.97 -0.09 0.00 -0.02 0.00 0.00 41.12 37.55 3ktf n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ktf s VAL 9 N -1.87 5.32 -0.33 2.53 1.01 -1.18 -4.92 120.40 120.96 3ktf s VAL 9 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3ktf s VAL 9 Cb 0.00 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.92 3ktf s VAL 9 CO 0.00 0.31 0.04 -0.69 0.00 0.00 0.00 175.10 174.76 3ktf s VAL 10 N 1.26 2.12 0.03 2.92 1.01 -1.26 -1.09 120.40 125.39 3ktf s VAL 10 Ca 0.10 -2.18 -0.20 0.00 0.00 0.00 0.00 61.98 59.69 3ktf s VAL 10 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3ktf s VAL 10 CO 0.06 -0.55 0.59 0.00 0.00 0.00 0.00 175.10 175.19 3ktf s ALA 11 N 0.99 3.53 -0.17 5.51 0.00 0.40 -0.22 121.76 131.80 3ktf s ALA 11 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3ktf s ALA 11 Cb -0.19 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3ktf s ALA 11 CO -0.09 0.26 -0.18 -0.47 0.00 0.00 0.00 175.76 175.27 3ktf s TYR 12 N -0.55 2.77 -0.21 0.00 5.04 0.06 0.16 117.35 124.62 3ktf s TYR 12 Ca 0.30 -1.45 -0.07 0.00 -2.44 0.00 0.00 57.07 53.42 3ktf s TYR 12 Cb -0.19 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.18 3ktf s TYR 12 CO 0.18 -0.70 0.05 0.08 -1.34 0.00 0.00 175.55 173.81 3ktf s VAL 13 N 1.15 4.40 -0.45 3.14 1.01 -1.26 -1.47 120.40 126.92 3ktf s VAL 13 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3ktf s VAL 13 Cb -0.14 -3.01 0.16 0.00 0.00 0.00 0.00 36.38 33.39 3ktf s VAL 13 CO -0.08 0.41 0.34 -0.70 0.00 0.00 0.00 175.10 175.06 3ktf s GLU 14 N 0.98 1.14 -0.24 2.72 2.12 0.63 -4.89 118.70 121.15 3ktf s GLU 14 Ca 0.03 -2.19 0.01 0.00 0.36 0.00 0.00 54.97 53.18 3ktf s GLU 14 Cb -0.14 -1.81 0.06 0.00 0.26 0.00 0.00 34.13 32.50 3ktf s GLU 14 CO 0.03 -1.33 -0.06 0.08 -0.54 0.00 0.00 175.26 173.44 3ktf s VAL 15 N -0.01 1.59 0.31 3.70 1.01 -1.26 -1.13 120.40 124.61 3ktf s VAL 15 Ca 0.28 -1.27 0.09 0.00 0.00 0.00 0.00 61.98 61.08 3ktf s VAL 15 Cb -0.04 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3ktf s VAL 15 CO -0.14 -0.10 0.03 0.26 0.00 0.00 0.00 175.10 175.14 3ktf s TRP 16 N 1.36 2.63 1.13 5.22 0.52 0.11 -0.24 118.94 129.68 3ktf s TRP 16 Ca -0.06 -0.33 -0.14 0.00 0.02 0.00 0.00 56.10 55.60 3ktf s TRP 16 Cb -0.19 -1.38 0.23 0.00 -1.15 0.00 0.00 33.47 30.98 3ktf s TRP 16 CO -0.06 0.52 0.80 -1.13 0.02 0.00 0.00 176.95 177.10 3ktf n SER 17 N -0.96 -1.66 0.26 2.95 3.41 0.54 -4.61 113.62 113.55 3ktf n SER 17 Ca -0.05 -0.07 0.17 0.00 -0.26 0.00 0.00 58.87 58.67 3ktf n SER 17 Cb 0.61 -1.22 0.78 0.00 -0.26 0.00 0.00 64.21 64.11 3ktf n SER 17 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ktf h SER 18 N -2.44 0.00 -0.52 4.04 4.64 -1.94 0.22 113.55 117.54 3ktf h SER 18 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3ktf h SER 18 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ktf h SER 18 CO 0.45 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.95 3ktf n ASN 19 N -2.91 3.45 -0.77 4.97 0.23 -1.26 -4.97 115.26 113.99 3ktf n ASN 19 Ca -0.00 -1.98 -0.08 0.00 -0.53 0.00 0.00 54.58 52.00 3ktf n ASN 19 Cb 0.22 -0.35 -0.01 0.00 -2.08 0.00 0.00 39.78 37.57 3ktf n ASN 19 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ktf n GLY 20 N 1.19 0.34 0.01 4.83 0.00 0.07 -4.92 105.19 106.70 3ktf n GLY 20 Ca 0.19 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.64 3ktf n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ktf n THR 21 N -3.63 0.03 -5.21 2.61 -2.24 -1.26 -4.91 114.28 99.67 3ktf n THR 21 Ca -0.09 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 3ktf n THR 21 Cb 0.47 0.23 -0.16 0.00 -2.10 0.00 0.00 70.33 68.77 3ktf n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ktf s GLU 22 N -2.62 2.35 -0.36 -0.78 0.41 -1.26 -4.99 118.70 111.44 3ktf s GLU 22 Ca -0.03 -0.87 -0.19 0.00 -0.41 0.00 0.00 54.97 53.47 3ktf s GLU 22 Cb 0.06 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 3ktf s GLU 22 CO 0.39 0.40 0.57 1.21 -0.49 0.00 0.00 175.26 177.33 3ktf s ASN 23 N -0.22 6.35 -0.28 -0.19 3.84 -1.26 -0.34 114.94 122.83 3ktf s ASN 23 Ca -0.01 -0.02 0.12 0.00 0.21 0.00 0.00 52.86 53.15 3ktf s ASN 23 Cb -0.13 -2.29 0.69 0.00 -0.55 0.00 0.00 41.25 38.97 3ktf s ASN 23 CO 0.03 -0.56 1.69 -1.22 -2.79 0.00 0.00 177.10 174.25 3ktf n TYR 24 N 5.90 1.98 -0.24 0.43 4.01 0.67 -4.70 117.16 125.21 3ktf n TYR 24 Ca -0.03 -1.13 -0.08 0.00 -0.16 0.00 0.00 57.90 56.50 3ktf n TYR 24 Cb 0.49 -0.58 0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3ktf n TYR 24 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ktf h SER 25 N 2.48 1.08 -0.98 7.72 0.02 -1.82 -3.20 113.55 118.85 3ktf h SER 25 Ca 0.18 -0.26 0.19 0.00 -0.84 0.00 0.00 61.79 61.05 3ktf h SER 25 Cb 2.05 -0.29 -0.09 0.00 0.14 0.00 0.00 62.40 64.21 3ktf h SER 25 CO 0.57 1.07 0.61 0.50 -1.14 0.00 0.00 176.83 178.44 3ktf h LYS 26 N 1.05 0.67 0.00 3.45 1.63 -1.91 -1.25 116.57 120.22 3ktf h LYS 26 Ca 0.21 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3ktf h LYS 26 Cb 0.45 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3ktf h LYS 26 CO 0.01 0.44 -0.07 0.00 -3.45 0.00 0.00 179.45 176.39 3ktf h THR 27 N 0.69 0.49 0.04 1.00 1.03 -1.94 -2.92 112.91 111.30 3ktf h THR 27 Ca 0.54 -0.31 -0.35 0.00 -0.01 0.00 0.00 66.41 66.28 3ktf h THR 27 Cb 0.94 1.21 -0.05 0.00 -1.07 0.00 0.00 68.15 69.18 3ktf h THR 27 CO -0.31 0.07 -2.11 0.49 -0.01 0.00 0.00 175.52 173.64 3ktf n PHE 28 N -3.65 0.63 -0.33 0.00 3.01 -0.64 -4.01 117.46 112.47 3ktf n PHE 28 Ca -0.02 0.17 0.13 0.00 1.01 0.00 0.00 57.45 58.74 3ktf n PHE 28 Cb 0.17 -1.10 0.35 0.00 -0.01 0.00 0.00 39.48 38.89 3ktf n PHE 28 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3ktf h THR 29 N 0.02 0.74 -0.22 4.37 2.02 -1.19 -1.94 112.91 116.70 3ktf h THR 29 Ca -0.45 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 3ktf h THR 29 Cb 2.05 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3ktf h THR 29 CO 0.03 0.13 -0.41 0.74 0.37 0.00 0.00 175.52 176.39 3ktf h THR 30 N 0.74 1.32 -1.01 3.16 2.02 -1.68 -2.23 112.91 115.22 3ktf h THR 30 Ca 0.54 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 66.14 3ktf h THR 30 Cb 0.88 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3ktf h THR 30 CO -0.32 0.51 0.66 1.56 0.37 0.00 0.00 175.52 178.30 3ktf h GLN 31 N 0.38 1.23 -0.22 6.66 4.20 -1.56 -0.76 115.11 125.04 3ktf h GLN 31 Ca 0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3ktf h GLN 31 Cb 1.01 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3ktf h GLN 31 CO 0.09 0.81 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.90 3ktf h LEU 32 N 1.27 0.46 -0.68 1.46 3.38 -1.39 -3.07 115.31 116.74 3ktf h LEU 32 Ca 0.41 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ktf h LEU 32 Cb 0.02 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ktf h LEU 32 CO -0.13 0.76 0.37 0.58 0.09 0.00 0.00 178.44 180.11 3ktf h VAL 33 N 0.16 0.94 0.00 1.22 2.07 -1.26 -1.38 116.25 117.99 3ktf h VAL 33 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ktf h VAL 33 Cb 0.58 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3ktf h VAL 33 CO 0.03 0.12 0.00 0.47 0.02 0.00 0.00 177.57 178.21 3ktf n ASP 34 N -4.80 0.00 0.00 0.57 8.00 -0.30 -4.33 116.55 115.69 3ktf n ASP 34 Ca 0.09 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3ktf n ASP 34 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3ktf n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktf n GLY 36 N 1.13 -0.68 3.81 0.44 0.00 -1.04 -4.95 105.19 103.90 3ktf n GLY 36 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ktf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktf s ALA 37 N -0.21 2.86 0.10 4.61 0.00 -0.55 -4.56 121.76 124.01 3ktf s ALA 37 Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 3ktf s ALA 37 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3ktf s ALA 37 CO 0.00 -0.51 0.54 0.21 0.00 0.00 0.00 175.76 176.01 3ktf s LYS 38 N -3.78 4.07 -0.16 0.00 2.20 -0.25 -4.28 119.74 117.54 3ktf s LYS 38 Ca 0.64 0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 56.83 3ktf s LYS 38 Cb -0.15 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 3ktf s LYS 38 CO 0.30 0.57 -0.11 0.08 -0.36 0.00 0.00 175.35 175.83 3ktf s VAL 39 N -1.28 3.09 0.03 4.02 1.01 -1.26 -0.45 120.40 125.56 3ktf s VAL 39 Ca 0.33 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3ktf s VAL 39 Cb -0.17 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 3ktf s VAL 39 CO 0.18 0.49 0.45 -0.55 0.00 0.00 0.00 175.10 175.68 3ktf s SER 40 N 0.76 6.85 0.14 3.32 0.15 0.12 -4.93 113.70 120.11 3ktf s SER 40 Ca -0.04 1.02 -0.11 0.00 0.70 0.00 0.00 55.95 57.52 3ktf s SER 40 Cb -0.15 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3ktf s SER 40 CO 0.01 0.30 1.42 0.50 1.20 0.00 0.00 173.24 176.67 3ktf h LYS 41 N 4.55 0.85 -6.26 5.44 3.64 -2.00 -3.41 116.57 119.38 3ktf h LYS 41 Ca -0.51 -0.53 -0.58 0.00 -1.27 0.00 0.00 60.65 57.75 3ktf h LYS 41 Cb 1.22 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 3ktf h LYS 41 CO 0.62 1.17 -0.69 0.95 -2.27 0.00 0.00 179.45 179.23 3ktf s THR 42 N -4.14 3.18 -1.15 1.00 -4.23 -1.26 -4.96 115.64 104.08 3ktf s THR 42 Ca -0.10 -1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 3ktf s THR 42 Cb 0.10 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.37 3ktf s THR 42 CO 0.89 -0.32 1.50 0.12 -0.54 0.00 0.00 174.62 176.27 3ktf s PHE 43 N -2.22 2.92 0.31 3.99 5.99 -1.26 -4.91 117.98 122.79 3ktf s PHE 43 Ca 0.30 -1.49 0.04 0.00 0.00 0.00 0.00 56.93 55.78 3ktf s PHE 43 Cb -0.07 -4.58 0.04 0.00 0.00 0.00 0.00 43.02 38.42 3ktf s PHE 43 CO 0.18 -1.71 0.34 0.27 -0.00 0.00 0.00 175.22 174.30 3ktf n ASN 44 N 7.67 1.56 0.27 6.13 0.23 -1.26 -5.01 115.26 124.86 3ktf n ASN 44 Ca 0.38 -1.95 0.17 0.00 -0.53 0.00 0.00 54.58 52.65 3ktf n ASN 44 Cb 0.47 -0.13 0.92 0.00 -2.08 0.00 0.00 39.78 38.96 3ktf n ASN 44 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3ktf h LYS 45 N 0.00 0.00 0.00 -3.83 1.79 -2.04 -2.72 116.57 109.76 3ktf h LYS 45 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3ktf h LYS 45 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3ktf h LYS 45 CO 0.26 0.00 0.00 1.96 -1.08 0.00 0.00 179.45 180.59 3ktf h GLN 46 N 0.00 0.00 -6.58 3.15 1.08 -1.95 -3.46 115.11 107.35 3ktf h GLN 46 Ca 0.03 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.70 3ktf h GLN 46 Cb 0.18 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.64 3ktf h GLN 46 CO -0.00 0.00 0.76 0.08 -0.95 0.00 0.00 178.83 178.72 3ktf s VAL 47 N -3.28 3.09 -0.09 -0.54 1.01 -1.03 -4.65 120.40 114.91 3ktf s VAL 47 Ca 0.06 0.79 0.14 0.00 0.00 0.00 0.00 61.98 62.97 3ktf s VAL 47 Cb 0.06 -3.51 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 3ktf s VAL 47 CO 0.65 0.07 0.33 0.35 0.00 0.00 0.00 175.10 176.50 3ktf n THR 48 N 3.82 0.00 -3.77 3.92 -2.24 0.70 -4.93 114.28 111.78 3ktf n THR 48 Ca 0.12 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3ktf n THR 48 Cb 0.41 0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 3ktf n THR 48 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ktf s HIS 49 N -2.87 -0.19 -0.18 4.78 3.76 -1.00 -1.38 115.29 118.21 3ktf s HIS 49 Ca -0.04 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 3ktf s HIS 49 Cb 0.09 -0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.77 3ktf s HIS 49 CO 0.57 -0.15 -0.17 0.08 -0.85 0.00 0.00 174.74 174.22 3ktf s VAL 50 N 0.83 2.40 -0.39 -0.90 1.01 0.76 -0.76 120.40 123.35 3ktf s VAL 50 Ca -0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 3ktf s VAL 50 Cb -0.08 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3ktf s VAL 50 CO -0.04 0.52 0.55 -0.63 0.00 0.00 0.00 175.10 175.49 3ktf s ILE 51 N 1.20 4.96 -0.08 2.22 1.09 -0.54 -1.07 121.20 128.97 3ktf s ILE 51 Ca 0.02 0.19 0.02 0.00 -1.10 0.00 0.00 60.65 59.78 3ktf s ILE 51 Cb -0.14 -4.06 0.01 0.00 -1.06 0.00 0.00 42.46 37.21 3ktf s ILE 51 CO -0.08 -0.37 -0.15 0.12 -0.10 0.00 0.00 174.94 174.36 3ktf s PHE 52 N 2.51 1.80 -0.21 3.97 5.36 -0.50 -0.27 117.98 130.64 3ktf s PHE 52 Ca 0.19 -0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 55.39 3ktf s PHE 52 Cb -0.15 -1.28 0.11 0.00 -0.34 0.00 0.00 43.02 41.35 3ktf s PHE 52 CO 0.15 -0.35 0.36 0.21 -1.46 0.00 0.00 175.22 174.13 3ktf s LYS 53 N 0.68 0.30 -1.47 10.12 2.20 -0.28 -4.50 119.74 126.78 3ktf s LYS 53 Ca -0.14 0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 56.04 3ktf s LYS 53 Cb -0.16 -0.25 0.06 0.00 -1.51 0.00 0.00 37.83 35.97 3ktf s LYS 53 CO 0.04 -0.48 0.91 -0.25 -0.36 0.00 0.00 175.35 175.21 3ktf n ASP 54 N 5.37 -5.24 -1.57 1.43 8.00 -1.26 -0.71 116.55 122.57 3ktf n ASP 54 Ca -0.06 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ktf n ASP 54 Cb 0.50 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 3ktf n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktf n GLY 55 N -1.67 1.54 3.75 0.44 0.00 -1.26 -4.41 105.19 103.58 3ktf n GLY 55 Ca 0.01 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3ktf n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ktf s TYR 56 N 1.01 3.25 0.32 1.61 2.02 -1.26 -4.92 117.35 119.38 3ktf s TYR 56 Ca 0.00 1.32 0.06 0.00 -0.37 0.00 0.00 57.07 58.08 3ktf s TYR 56 Cb 0.00 -3.58 0.72 0.00 -0.40 0.00 0.00 41.96 38.70 3ktf s TYR 56 CO 0.00 -1.71 1.83 0.37 -1.57 0.00 0.00 175.55 174.47 3ktf h GLN 57 N 4.75 0.78 -0.72 -0.62 5.75 -2.00 -1.50 115.11 121.55 3ktf h GLN 57 Ca -0.46 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3ktf h GLN 57 Cb 1.22 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 3ktf h GLN 57 CO 0.73 0.51 0.47 0.66 -2.65 0.00 0.00 178.83 178.56 3ktf h SER 58 N 0.80 0.84 -0.32 -0.69 4.64 -1.99 -0.22 113.55 116.61 3ktf h SER 58 Ca 0.50 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 3ktf h SER 58 Cb 0.71 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3ktf h SER 58 CO -0.27 0.61 -0.14 0.74 -0.87 0.00 0.00 176.83 176.91 3ktf h THR 59 N 0.98 1.29 -0.46 2.95 2.02 -1.67 -1.81 112.91 116.22 3ktf h THR 59 Ca 0.26 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.26 3ktf h THR 59 Cb -0.10 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3ktf h THR 59 CO -0.06 0.40 0.22 -0.25 0.37 0.00 0.00 175.52 176.20 3ktf h TRP 60 N 0.42 0.41 -0.45 3.16 2.91 -1.10 -0.78 115.95 120.51 3ktf h TRP 60 Ca 0.07 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 3ktf h TRP 60 Cb 0.66 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 3ktf h TRP 60 CO 0.06 0.20 0.03 -0.44 -1.03 0.00 0.00 178.44 177.26 3ktf h ASP 61 N 0.44 0.75 -0.79 2.65 3.32 -1.04 -1.37 116.42 120.38 3ktf h ASP 61 Ca 0.20 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3ktf h ASP 61 Cb 0.12 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3ktf h ASP 61 CO -0.15 0.85 0.33 0.50 -1.72 0.00 0.00 179.24 179.05 3ktf h LYS 62 N 0.63 1.17 -0.12 3.56 3.64 -1.15 0.14 116.57 124.43 3ktf h LYS 62 Ca 0.13 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3ktf h LYS 62 Cb 0.45 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ktf h LYS 62 CO 0.02 0.94 0.03 0.00 -2.27 0.00 0.00 179.45 178.17 3ktf h ALA 63 N 1.17 0.16 -0.72 5.00 0.00 -0.83 -1.46 119.26 122.58 3ktf h ALA 63 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ktf h ALA 63 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ktf h ALA 63 CO -0.02 -0.21 0.42 1.96 0.00 0.00 0.00 179.25 181.39 3ktf h GLN 64 N 0.00 0.98 0.01 0.00 1.08 -1.15 -0.80 115.11 115.24 3ktf h GLN 64 Ca 0.04 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3ktf h GLN 64 Cb 0.24 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3ktf h GLN 64 CO -0.00 0.71 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.26 3ktf h LYS 65 N 0.98 -0.19 0.00 1.46 3.64 -0.58 -3.02 116.57 118.86 3ktf h LYS 65 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3ktf h LYS 65 Cb -0.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ktf h LYS 65 CO -0.05 -0.13 0.00 0.54 -2.27 0.00 0.00 179.45 177.55 3ktf n ARG 66 N -5.24 0.11 -1.31 1.90 1.74 -0.56 -4.93 116.66 108.36 3ktf n ARG 66 Ca -0.06 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 3ktf n ARG 66 Cb 0.16 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 3ktf n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ktf n GLY 67 N 1.29 1.20 3.77 -0.13 0.00 -0.41 -5.00 105.19 105.92 3ktf n GLY 67 Ca 0.08 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3ktf n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ktf s VAL 68 N -2.37 3.46 0.07 1.61 -7.23 -0.60 -4.94 120.40 110.41 3ktf s VAL 68 Ca 0.00 1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 61.15 3ktf s VAL 68 Cb 0.00 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.10 3ktf s VAL 68 CO 0.00 0.17 1.80 -0.54 -0.31 0.00 0.00 175.10 176.22 3ktf s LYS 69 N -2.01 4.16 -0.38 4.82 -0.14 -0.48 -4.62 119.74 121.09 3ktf s LYS 69 Ca 0.52 2.48 -0.04 0.00 -1.36 0.00 0.00 55.97 57.57 3ktf s LYS 69 Cb -0.29 -3.78 0.09 0.00 -1.68 0.00 0.00 37.83 32.17 3ktf s LYS 69 CO 0.36 -0.84 0.16 -1.17 -0.76 0.00 0.00 175.35 173.10 3ktf s LEU 70 N 3.29 4.87 0.14 3.17 2.96 -1.26 -0.17 118.68 131.68 3ktf s LEU 70 Ca 0.80 -1.69 0.10 0.00 -0.22 0.00 0.00 54.13 53.12 3ktf s LEU 70 Cb -0.42 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3ktf s LEU 70 CO 0.36 -0.47 -0.22 0.68 -1.32 0.00 0.00 176.35 175.38 3ktf s VAL 71 N 1.25 1.99 0.75 1.68 -7.23 -0.24 -1.67 120.40 116.93 3ktf s VAL 71 Ca 0.03 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3ktf s VAL 71 Cb -0.22 -1.84 0.07 0.00 0.56 0.00 0.00 36.38 34.95 3ktf s VAL 71 CO -0.02 -0.10 1.08 -0.94 -0.31 0.00 0.00 175.10 174.82 3ktf s SER 72 N -2.27 4.67 0.42 4.85 1.04 -1.09 -1.41 113.70 119.91 3ktf s SER 72 Ca 0.13 0.57 0.14 0.00 0.48 0.00 0.00 55.95 57.27 3ktf s SER 72 Cb -0.09 -1.15 0.89 0.00 0.10 0.00 0.00 66.02 65.78 3ktf s SER 72 CO 0.06 -1.73 1.93 -0.37 0.98 0.00 0.00 173.24 174.11 3ktf h VAL 73 N -0.78 1.18 -0.41 5.02 -1.51 -1.93 -2.37 116.25 115.46 3ktf h VAL 73 Ca -0.45 -0.88 0.01 0.00 -1.23 0.00 0.00 66.70 64.16 3ktf h VAL 73 Cb 1.32 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 3ktf h VAL 73 CO 0.62 0.25 0.27 0.25 -1.23 0.00 0.00 177.57 177.73 3ktf h LEU 74 N 0.00 0.44 -0.62 4.19 5.85 -1.93 -2.16 115.31 121.07 3ktf h LEU 74 Ca -0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ktf h LEU 74 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3ktf h LEU 74 CO 0.03 0.31 0.40 -0.25 -0.34 0.00 0.00 178.44 178.59 3ktf h TRP 75 N 0.52 0.75 -0.51 1.25 7.01 -1.68 -0.11 115.95 123.18 3ktf h TRP 75 Ca 0.16 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 3ktf h TRP 75 Cb -0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3ktf h TRP 75 CO -0.00 0.45 0.05 0.28 -2.79 0.00 0.00 178.44 176.43 3ktf h VAL 76 N 0.80 1.24 -0.22 2.65 2.07 -1.47 -1.89 116.25 119.43 3ktf h VAL 76 Ca 0.24 -0.94 -0.19 0.00 0.82 0.00 0.00 66.70 66.63 3ktf h VAL 76 Cb -0.03 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ktf h VAL 76 CO -0.08 0.34 -0.62 -0.08 0.02 0.00 0.00 177.57 177.15 3ktf h GLU 77 N 0.78 0.77 -0.13 1.57 4.81 -1.32 -2.47 114.58 118.59 3ktf h GLU 77 Ca 0.16 -0.53 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 3ktf h GLU 77 Cb 0.40 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3ktf h GLU 77 CO 0.01 1.16 -0.48 0.87 -0.73 0.00 0.00 179.01 179.84 3ktf h LYS 78 N 0.57 0.33 0.07 1.92 1.79 -0.83 -2.36 116.57 118.05 3ktf h LYS 78 Ca -0.01 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.28 3ktf h LYS 78 Cb 1.22 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3ktf h LYS 78 CO 0.13 0.74 -0.03 0.00 -1.08 0.00 0.00 179.45 179.21 3ktf h ARG 80 N -0.45 0.09 -0.09 0.00 2.43 -1.43 0.26 114.38 115.20 3ktf h ARG 80 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3ktf h ARG 80 Cb 0.39 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ktf h ARG 80 CO 0.01 0.06 0.03 1.79 -1.51 0.00 0.00 179.97 180.36 3ktf h THR 81 N 0.09 1.15 0.00 0.20 1.35 -1.44 -3.22 112.91 111.04 3ktf h THR 81 Ca 0.30 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3ktf h THR 81 Cb 0.48 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3ktf h THR 81 CO -0.52 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 174.88 3ktf h ALA 82 N 0.87 1.00 -5.41 6.62 0.00 -0.67 -3.47 119.26 118.19 3ktf h ALA 82 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.53 3ktf h ALA 82 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ktf h ALA 82 CO -0.00 0.00 -0.62 0.41 0.00 0.00 0.00 179.25 179.03 3ktf n GLY 83 N 0.46 -0.50 3.01 0.00 0.00 0.88 -4.98 105.19 104.06 3ktf n GLY 83 Ca 0.02 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ktf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktf s ALA 84 N -3.10 0.36 -0.87 4.61 0.00 -1.18 -4.95 121.76 116.62 3ktf s ALA 84 Ca 0.45 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 3ktf s ALA 84 Cb -0.22 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.03 3ktf s ALA 84 CO 0.55 -0.07 1.27 -1.58 0.00 0.00 0.00 175.76 175.93 3ktf s HIS 85 N -1.26 2.60 0.20 0.00 2.46 -1.26 -4.44 115.29 113.59 3ktf s HIS 85 Ca -0.11 -0.69 -0.30 0.00 0.47 0.00 0.00 55.06 54.43 3ktf s HIS 85 Cb -0.09 -4.54 -0.08 0.00 -0.13 0.00 0.00 32.58 27.74 3ktf s HIS 85 CO -0.00 -1.84 1.06 0.42 -2.47 0.00 0.00 174.74 171.91 3ktf s ILE 86 N 4.60 3.89 -0.40 0.89 1.01 -1.26 -4.96 121.20 124.97 3ktf s ILE 86 Ca 0.37 1.71 -0.44 0.00 0.00 0.00 0.00 60.65 62.29 3ktf s ILE 86 Cb -0.06 -4.09 -0.19 0.00 0.01 0.00 0.00 42.46 38.13 3ktf s ILE 86 CO -0.00 0.33 1.44 -0.67 0.00 0.00 0.00 174.94 176.04 3ktf n ASP 87 N 2.05 0.97 0.15 3.58 -0.08 -1.26 -4.88 116.55 117.08 3ktf n ASP 87 Ca 0.01 1.13 0.01 0.00 -1.51 0.00 0.00 54.79 54.42 3ktf n ASP 87 Cb 0.46 -0.84 0.28 0.00 2.34 0.00 0.00 41.12 43.36 3ktf n ASP 87 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3ktf h GLU 88 N 4.45 0.05 0.00 -0.67 3.07 -1.93 -2.65 114.58 116.89 3ktf h GLU 88 Ca -0.43 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 3ktf h GLU 88 Cb 1.31 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3ktf h GLU 88 CO 0.88 0.48 -0.05 0.66 -1.40 0.00 0.00 179.01 179.59 3ktf h SER 89 N 0.04 0.00 1.13 1.42 4.64 -1.96 -2.90 113.55 115.93 3ktf h SER 89 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3ktf h SER 89 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3ktf h SER 89 CO 0.06 0.05 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.46 3ktf h LEU 90 N 0.00 0.00 -6.01 5.97 3.38 -1.85 -3.36 115.31 113.43 3ktf h LEU 90 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3ktf h LEU 90 Cb 0.13 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.47 3ktf h LEU 90 CO 0.01 0.53 -0.79 0.49 0.09 0.00 0.00 178.44 178.77 3ktf n PHE 91 N -3.39 2.29 -2.51 1.13 3.72 -1.09 -5.09 117.46 112.53 3ktf n PHE 91 Ca 0.01 -3.94 -0.35 0.00 -0.05 0.00 0.00 57.45 53.12 3ktf n PHE 91 Cb 0.67 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3ktf n PHE 91 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ktf s PRO 92 N -2.22 3.84 0.69 -1.08 0.04 -1.23 -2.68 135.00 132.36 3ktf s PRO 92 Ca 0.40 1.44 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 3ktf s PRO 92 Cb 0.19 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3ktf s PRO 92 CO -0.06 -0.41 1.13 0.00 0.04 0.00 0.00 177.00 177.70 3ktf s ALA 93 N -1.87 2.36 0.10 8.56 0.00 -0.67 -4.23 121.76 126.01 3ktf s ALA 93 Ca 0.65 0.61 0.05 0.00 0.00 0.00 0.00 51.96 53.27 3ktf s ALA 93 Cb -0.19 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3ktf s ALA 93 CO 0.23 -1.47 -0.01 0.00 0.00 0.00 0.00 175.76 174.51 3ktf s ALA 94 N -2.30 3.25 -0.31 0.00 0.00 -1.26 -4.93 121.76 116.21 3ktf s ALA 94 Ca 0.68 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3ktf s ALA 94 Cb -0.22 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3ktf s ALA 94 CO 0.43 0.68 0.58 -1.71 0.00 0.00 0.00 175.76 175.74