#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv n LYS 3 N 0.00 1.72 0.22 3.52 5.02 -1.26 -5.06 118.16 122.33 1tkv n LYS 3 Ca 0.00 -0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 1tkv n LYS 3 Cb 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.97 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1tkv h ASN 4 N 0.05 -0.48 -0.96 4.39 2.35 -1.96 -3.27 115.58 115.69 1tkv h ASN 4 Ca -0.02 -0.10 0.28 0.00 -0.55 0.00 0.00 56.30 55.91 1tkv h ASN 4 Cb 0.07 0.13 -0.17 0.00 0.05 0.00 0.00 38.32 38.39 1tkv h ASN 4 CO 0.03 -0.14 0.14 -0.29 -1.65 0.00 0.00 177.43 175.52 1tkv h ILE 5 N -0.86 0.08 0.27 2.81 2.10 -1.94 -1.67 117.51 118.30 1tkv h ILE 5 Ca -0.06 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 1tkv h ILE 5 Cb 0.56 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1tkv h ILE 5 CO 0.10 0.01 -0.17 0.44 -1.08 0.00 0.00 178.15 177.44 1tkv h ASP 6 N 0.04 -0.44 0.06 2.19 3.32 -1.98 0.17 116.42 119.79 1tkv h ASP 6 Ca 0.62 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.63 1tkv h ASP 6 Cb 1.35 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 1tkv h ASP 6 CO -0.85 -0.28 -0.22 0.74 -1.72 0.00 0.00 179.24 176.91 1tkv h THR 7 N -0.44 1.23 -0.66 0.35 2.02 -1.59 -2.67 112.91 111.15 1tkv h THR 7 Ca -0.03 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.12 1tkv h THR 7 Cb 0.37 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1tkv h THR 7 CO 0.02 0.33 0.38 0.58 0.37 0.00 0.00 175.52 177.21 1tkv h VAL 8 N 0.27 1.01 0.09 3.16 2.07 -0.83 -2.14 116.25 119.87 1tkv h VAL 8 Ca 0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1tkv h VAL 8 Cb 0.55 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1tkv h VAL 8 CO 0.04 0.13 -0.45 -0.09 0.02 0.00 0.00 177.57 177.22 1tkv h ARG 9 N 0.72 -0.63 0.00 1.57 2.43 -0.68 0.89 114.38 118.67 1tkv h ARG 9 Ca 0.29 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1tkv h ARG 9 Cb 0.13 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1tkv h ARG 9 CO -0.16 -0.42 -0.25 1.05 -1.51 0.00 0.00 179.97 178.68 1tkv h GLU 10 N -0.66 0.00 -0.07 0.20 4.11 -1.38 -2.60 114.58 114.18 1tkv h GLU 10 Ca 0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.21 1tkv h GLU 10 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1tkv h GLU 10 CO -0.27 0.25 -0.91 0.82 0.07 0.00 0.00 179.01 178.96 1tkv h ILE 11 N 0.00 1.28 -1.00 -1.06 2.04 -1.09 -3.17 117.51 114.52 1tkv h ILE 11 Ca -0.00 -2.12 0.14 0.00 1.00 0.00 0.00 64.86 63.88 1tkv h ILE 11 Cb 0.54 2.19 -0.09 0.00 -0.74 0.00 0.00 36.82 38.71 1tkv h ILE 11 CO 0.03 0.66 0.62 0.40 0.00 0.00 0.00 178.15 179.87 1tkv h ILE 12 N 0.46 0.85 -0.23 -0.67 2.04 -0.45 0.12 117.51 119.63 1tkv h ILE 12 Ca -0.09 -0.31 -0.18 0.00 1.00 0.00 0.00 64.86 65.28 1tkv h ILE 12 Cb 1.55 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1tkv h ILE 12 CO 0.18 0.17 -0.54 0.71 0.00 0.00 0.00 178.15 178.66 1tkv h THR 13 N 0.92 1.29 -0.68 -0.27 1.35 -1.57 -1.79 112.91 112.16 1tkv h THR 13 Ca 0.52 -1.75 0.03 0.00 -0.55 0.00 0.00 66.41 64.67 1tkv h THR 13 Cb 0.62 1.78 -0.05 0.00 -1.73 0.00 0.00 68.15 68.78 1tkv h THR 13 CO -0.31 0.56 0.42 0.58 -0.25 0.00 0.00 175.52 176.52 1tkv h VAL 14 N 0.52 1.07 -0.74 6.82 2.07 -1.45 -2.53 116.25 122.02 1tkv h VAL 14 Ca -0.00 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1tkv h VAL 14 Cb 1.16 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1tkv h VAL 14 CO 0.12 0.15 0.22 0.00 0.02 0.00 0.00 177.57 178.08 1tkv h ALA 15 N 1.30 0.98 0.00 1.67 0.00 -0.63 -1.97 119.26 120.61 1tkv h ALA 15 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1tkv h ALA 15 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1tkv h ALA 15 CO -0.12 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1tkv n SER 16 N -4.24 0.14 0.07 0.00 3.41 -0.68 -2.11 113.62 110.20 1tkv n SER 16 Ca 0.06 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.07 1tkv n SER 16 Cb 0.24 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.55 1tkv n SER 16 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1tkv h ILE 17 N 0.00 1.01 -0.26 -1.33 1.08 -0.91 -1.27 117.51 115.81 1tkv h ILE 17 Ca 0.00 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1tkv h ILE 17 Cb 0.30 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1tkv h ILE 17 CO 0.00 0.10 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.48 1tkv h LEU 18 N -0.33 0.37 -0.31 1.44 4.07 -1.36 -1.06 115.31 118.13 1tkv h LEU 18 Ca -0.01 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.77 1tkv h LEU 18 Cb 0.27 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1tkv h LEU 18 CO 0.02 0.45 -0.53 0.40 -1.08 0.00 0.00 178.44 177.70 1tkv h ILE 19 N 0.39 0.98 -0.47 1.22 2.04 -1.49 0.38 117.51 120.56 1tkv h ILE 19 Ca 0.09 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1tkv h ILE 19 Cb 0.28 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1tkv h ILE 19 CO 0.01 0.52 0.27 0.50 0.00 0.00 0.00 178.15 179.44 1tkv h LYS 20 N 0.00 0.64 -0.01 2.37 3.64 -0.26 -3.17 116.57 119.78 1tkv h LYS 20 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1tkv h LYS 20 Cb 1.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1tkv h LYS 20 CO 0.07 0.49 -0.08 1.19 -2.27 0.00 0.00 179.45 178.85 1tkv n PHE 21 N -4.70 0.00 -3.29 1.91 3.72 -0.50 -4.92 117.46 109.68 1tkv n PHE 21 Ca 0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.24 1tkv n PHE 21 Cb 0.07 -0.06 0.06 0.00 -0.94 0.00 0.00 39.48 38.61 1tkv n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tkv n SER 22 N -0.40 -4.75 -1.88 4.37 2.88 -0.52 -4.95 113.62 108.37 1tkv n SER 22 Ca 0.17 -0.42 -0.22 0.00 -1.33 0.00 0.00 58.87 57.07 1tkv n SER 22 Cb 0.30 -3.96 0.09 0.00 -0.75 0.00 0.00 64.21 59.89 1tkv n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tkv n ARG 23 N -3.84 2.82 0.21 -1.46 5.12 0.12 -4.80 116.66 114.83 1tkv n ARG 23 Ca -0.03 -3.62 0.18 0.00 -1.93 0.00 0.00 57.85 52.45 1tkv n ARG 23 Cb 0.56 -2.15 0.84 0.00 -1.16 0.00 0.00 32.46 30.55 1tkv n ARG 23 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1tkv h GLU 24 N 1.77 0.00 -0.69 5.56 -0.00 -1.92 -2.65 114.58 116.66 1tkv h GLU 24 Ca 0.41 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.89 1tkv h GLU 24 Cb 1.40 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 30.03 1tkv h GLU 24 CO 0.91 0.00 -0.20 -0.25 -0.00 0.00 0.00 179.01 179.47 1tkv n ASP 25 N -3.57 -0.30 -0.08 3.06 8.00 -1.26 -1.63 116.55 120.77 1tkv n ASP 25 Ca 0.02 1.19 -0.06 0.00 0.71 0.00 0.00 54.79 56.65 1tkv n ASP 25 Cb 0.38 -0.34 0.13 0.00 -0.02 0.00 0.00 41.12 41.28 1tkv n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tkv h ILE 26 N 0.00 1.26 -0.40 0.53 2.04 -1.88 -3.13 117.51 115.93 1tkv h ILE 26 Ca 0.31 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 1tkv h ILE 26 Cb 0.48 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1tkv h ILE 26 CO -0.70 0.41 -0.12 0.58 0.00 0.00 0.00 178.15 178.31 1tkv h VAL 27 N 0.65 1.26 0.00 1.67 2.07 -1.49 -3.22 116.25 117.18 1tkv h VAL 27 Ca 0.11 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1tkv h VAL 27 Cb 0.63 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1tkv h VAL 27 CO 0.04 0.39 0.00 1.05 0.02 0.00 0.00 177.57 179.08 1tkv h GLU 28 N 0.65 0.00 -5.26 1.57 4.11 -1.46 -3.41 114.58 110.79 1tkv h GLU 28 Ca 0.11 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.88 1tkv h GLU 28 Cb 0.59 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.56 1tkv h GLU 28 CO 0.04 0.00 -0.77 1.21 0.07 0.00 0.00 179.01 179.56 1tkv s ASN 29 N -5.43 3.94 0.09 3.06 3.84 -1.26 -4.62 114.94 114.56 1tkv s ASN 29 Ca -0.00 -0.37 -0.17 0.00 0.21 0.00 0.00 52.86 52.52 1tkv s ASN 29 Cb 0.10 -1.61 -0.04 0.00 -0.55 0.00 0.00 41.25 39.15 1tkv s ASN 29 CO 0.49 0.13 1.00 -1.14 -2.79 0.00 0.00 177.10 174.79 1tkv n ARG 30 N 3.77 -0.25 0.07 0.43 0.63 -0.96 -1.27 116.66 119.09 1tkv n ARG 30 Ca -0.18 0.98 -0.13 0.00 -0.92 0.00 0.00 57.85 57.60 1tkv n ARG 30 Cb 0.52 -1.45 -0.09 0.00 0.45 0.00 0.00 32.46 31.90 1tkv n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tkv h ALA 31 N 0.14 -0.20 -1.02 5.13 0.00 -1.96 -2.40 119.26 118.95 1tkv h ALA 31 Ca 0.09 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1tkv h ALA 31 Cb 0.23 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 1tkv h ALA 31 CO -0.53 -0.41 0.63 -0.91 0.00 0.00 0.00 179.25 178.03 1tkv h ASN 32 N -0.61 0.57 0.10 0.00 -0.26 -1.84 -0.78 115.58 112.77 1tkv h ASN 32 Ca -0.02 0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1tkv h ASN 32 Cb 0.46 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1tkv h ASN 32 CO 0.03 0.11 -0.05 0.15 -1.06 0.00 0.00 177.43 176.61 1tkv h PHE 33 N 0.50 -0.13 -0.93 1.19 3.57 -1.15 -2.67 116.94 117.32 1tkv h PHE 33 Ca 0.62 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.29 1tkv h PHE 33 Cb 1.34 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 40.02 1tkv h PHE 33 CO -0.00 0.09 0.52 0.82 -2.23 0.00 0.00 178.31 177.51 1tkv h ILE 34 N -0.34 0.68 -0.86 1.41 2.04 -0.77 0.12 117.51 119.79 1tkv h ILE 34 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1tkv h ILE 34 Cb 0.28 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1tkv h ILE 34 CO 0.02 0.12 0.54 0.00 0.00 0.00 0.00 178.15 178.83 1tkv h ALA 35 N 1.62 1.09 -0.69 1.87 0.00 -1.18 -2.16 119.26 119.82 1tkv h ALA 35 Ca 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1tkv h ALA 35 Cb 0.84 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1tkv h ALA 35 CO -0.40 0.53 0.29 0.35 0.00 0.00 0.00 179.25 180.02 1tkv h PHE 36 N 1.17 1.04 -0.66 0.00 3.57 -0.80 -2.05 116.94 119.21 1tkv h PHE 36 Ca 0.31 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1tkv h PHE 36 Cb -0.09 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.28 1tkv h PHE 36 CO -0.01 0.80 0.33 -0.07 -2.23 0.00 0.00 178.31 177.13 1tkv h LEU 37 N 0.98 0.44 -1.00 0.59 3.38 -0.28 -1.01 115.31 118.41 1tkv h LEU 37 Ca 0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1tkv h LEU 37 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1tkv h LEU 37 CO -0.02 0.27 0.00 0.78 0.09 0.00 0.00 178.44 179.56 1tkv h ASN 38 N 0.59 0.00 0.02 -0.43 2.35 -1.26 -0.25 115.58 116.59 1tkv h ASN 38 Ca 0.31 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1tkv h ASN 38 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1tkv h ASN 38 CO -0.23 0.00 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.21 1tkv h GLU 39 N 0.00 -0.03 -0.00 0.81 4.39 -0.46 -3.29 114.58 116.00 1tkv h GLU 39 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tkv h GLU 39 Cb 0.58 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1tkv h GLU 39 CO 0.00 0.57 -0.29 0.44 -1.16 0.00 0.00 179.01 178.57 1tkv n ILE 40 N -4.81 0.00 -1.87 3.13 -0.00 -0.82 -4.96 119.36 110.03 1tkv n ILE 40 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1tkv n ILE 40 Cb 0.30 0.12 0.00 0.00 -0.00 0.00 0.00 39.64 40.06 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1tkv n GLY 41 N 1.41 0.80 3.68 3.28 0.00 -0.52 -5.05 105.19 108.79 1tkv n GLY 41 Ca 0.09 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1tkv n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkv s VAL 42 N -2.73 4.81 0.20 1.61 1.01 -0.22 -5.01 120.40 120.07 1tkv s VAL 42 Ca 0.00 1.85 0.06 0.00 0.00 0.00 0.00 61.98 63.90 1tkv s VAL 42 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1tkv s VAL 42 CO 0.00 -0.01 0.12 0.42 0.00 0.00 0.00 175.10 175.63 1tkv s THR 43 N 2.24 4.24 0.00 3.92 -4.23 -1.26 -4.32 115.64 116.23 1tkv s THR 43 Ca 0.43 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1tkv s THR 43 Cb -0.17 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1tkv s THR 43 CO 0.14 -0.20 0.00 1.57 -0.54 0.00 0.00 174.62 175.58 1tkv n HIS 44 N -0.60 0.00 -1.84 3.99 -0.00 -1.11 -4.74 115.22 110.93 1tkv n HIS 44 Ca -0.08 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.75 1tkv n HIS 44 Cb 0.56 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.41 1tkv n HIS 44 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tkv n GLU 45 N 0.00 3.46 -1.38 1.57 4.71 -1.26 -4.56 120.64 123.17 1tkv n GLU 45 Ca 0.00 -3.12 -0.04 0.00 -0.01 0.00 0.00 57.16 53.99 1tkv n GLU 45 Cb 0.00 -2.34 -0.01 0.00 -1.01 0.00 0.00 31.44 28.07 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tkv n GLY 46 N 0.80 0.56 3.26 0.62 0.00 -1.26 -5.01 105.19 104.17 1tkv n GLY 46 Ca 0.53 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1tkv n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tkv s ARG 47 N -2.86 1.09 0.47 1.61 0.52 -1.26 -5.09 118.95 113.43 1tkv s ARG 47 Ca 0.00 -1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 53.70 1tkv s ARG 47 Cb 0.00 -0.90 -0.08 0.00 0.52 0.00 0.00 34.95 34.49 1tkv s ARG 47 CO 0.00 0.16 0.93 0.15 0.02 0.00 0.00 175.30 176.56 1tkv s LYS 48 N -3.07 3.98 -0.19 3.54 1.02 -1.26 -2.74 119.74 121.02 1tkv s LYS 48 Ca 0.13 0.90 -0.13 0.00 0.02 0.00 0.00 55.97 56.89 1tkv s LYS 48 Cb -0.03 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1tkv s LYS 48 CO 0.03 -0.17 0.25 -1.17 -0.92 0.00 0.00 175.35 173.37 1tkv s LEU 49 N -3.82 4.20 0.36 3.17 0.20 -1.26 -4.87 118.68 116.66 1tkv s LEU 49 Ca 0.58 0.37 -0.04 0.00 0.69 0.00 0.00 54.13 55.73 1tkv s LEU 49 Cb -0.10 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.34 1tkv s LEU 49 CO 0.27 0.08 0.62 0.20 -0.29 0.00 0.00 176.35 177.24 1tkv s ASN 50 N 0.64 6.36 0.15 3.68 0.01 -1.26 -4.83 114.94 119.69 1tkv s ASN 50 Ca 0.13 0.71 -0.12 0.00 -0.71 0.00 0.00 52.86 52.88 1tkv s ASN 50 Cb -0.13 -2.15 0.02 0.00 0.41 0.00 0.00 41.25 39.41 1tkv s ASN 50 CO 0.03 -0.34 1.61 1.56 -1.51 0.00 0.00 177.10 178.46 1tkv h GLN 51 N 1.00 0.88 -0.15 -0.60 4.20 -1.97 0.44 115.11 118.91 1tkv h GLN 51 Ca -0.48 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 57.88 1tkv h GLN 51 Cb 1.20 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1tkv h GLN 51 CO 0.63 0.91 -0.21 -2.95 -0.67 0.00 0.00 178.83 176.54 1tkv h ASN 52 N 0.75 0.44 1.27 1.46 -1.07 -2.00 -3.05 115.58 113.38 1tkv h ASN 52 Ca 0.15 -0.52 0.00 0.00 0.07 0.00 0.00 56.30 56.00 1tkv h ASN 52 Cb 0.50 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1tkv h ASN 52 CO 0.02 0.87 0.00 0.28 0.07 0.00 0.00 177.43 178.68 1tkv h SER 53 N 0.03 0.00 -0.38 6.14 0.02 -1.96 -2.28 113.55 115.12 1tkv h SER 53 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1tkv h SER 53 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1tkv h SER 53 CO 0.05 0.00 0.24 0.15 -1.14 0.00 0.00 176.83 176.13 1tkv h PHE 54 N 0.00 0.49 -0.13 3.45 3.57 -0.93 -2.87 116.94 120.52 1tkv h PHE 54 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1tkv h PHE 54 Cb 0.64 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1tkv h PHE 54 CO 0.00 0.33 -0.26 -0.09 -2.23 0.00 0.00 178.31 176.06 1tkv h ARG 55 N 0.51 0.24 -0.48 1.11 2.43 -1.31 -1.99 114.38 114.89 1tkv h ARG 55 Ca 0.14 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1tkv h ARG 55 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1tkv h ARG 55 CO -0.03 0.49 0.06 1.57 -1.51 0.00 0.00 179.97 180.55 1tkv h LYS 56 N 0.22 0.80 -0.18 0.20 2.10 -1.48 -2.05 116.57 116.18 1tkv h LYS 56 Ca 0.03 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.45 1tkv h LYS 56 Cb 0.58 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1tkv h LYS 56 CO 0.04 0.82 0.09 -0.84 -2.00 0.00 0.00 179.45 177.56 1tkv h ILE 57 N 0.67 1.12 0.19 0.07 3.07 -1.15 -3.15 117.51 118.32 1tkv h ILE 57 Ca 0.14 -0.35 -0.32 0.00 1.55 0.00 0.00 64.86 65.88 1tkv h ILE 57 Cb 0.42 1.02 0.02 0.00 -0.27 0.00 0.00 36.82 38.01 1tkv h ILE 57 CO 0.01 0.12 -1.50 -0.37 -1.05 0.00 0.00 178.15 175.36 1tkv h VAL 58 N 0.18 1.23 0.03 0.16 -1.51 -1.48 -3.41 116.25 111.45 1tkv h VAL 58 Ca 0.06 -2.76 -0.00 0.00 -1.23 0.00 0.00 66.70 62.77 1tkv h VAL 58 Cb 0.10 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1tkv h VAL 58 CO -0.01 0.84 -0.01 -1.28 -1.23 0.00 0.00 177.57 175.88 1tkv h SER 59 N 0.11 -0.04 -0.31 4.19 0.87 -1.42 -3.38 113.55 113.58 1tkv h SER 59 Ca -0.25 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1tkv h SER 59 Cb 2.09 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 1tkv h SER 59 CO 0.22 0.66 0.00 -1.84 -0.53 0.00 0.00 176.83 175.34 1tkv n GLU 60 N -4.74 2.11 -1.24 2.24 0.28 -1.19 -4.93 120.64 113.16 1tkv n GLU 60 Ca -0.05 -1.29 -0.37 0.00 -0.16 0.00 0.00 57.16 55.29 1tkv n GLU 60 Cb 0.22 -1.45 0.04 0.00 1.43 0.00 0.00 31.44 31.68 1tkv n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1tkv n LEU 61 N 0.42 -2.13 -4.93 -1.84 4.77 -1.26 -5.02 117.00 107.01 1tkv n LEU 61 Ca 0.12 0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 56.39 1tkv n LEU 61 Cb 0.41 -0.99 0.13 0.00 -2.33 0.00 0.00 43.42 40.64 1tkv n LEU 61 CO 0.10 -4.27 0.75 0.42 -1.33 0.00 0.00 177.39 173.06 1tkv s THR 62 N -1.94 2.09 0.15 -5.08 -4.23 -1.26 -4.98 115.64 100.39 1tkv s THR 62 Ca 0.58 -0.15 -0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1tkv s THR 62 Cb -0.39 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.45 1tkv s THR 62 CO 0.65 0.00 1.46 1.56 -0.54 0.00 0.00 174.62 177.75 1tkv h GLN 63 N -1.11 0.79 -0.15 3.99 1.08 -2.00 -3.17 115.11 114.54 1tkv h GLN 63 Ca -0.44 -0.47 -0.04 0.00 -1.45 0.00 0.00 58.65 56.25 1tkv h GLN 63 Cb 1.28 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 1tkv h GLN 63 CO 0.50 1.10 -0.11 0.93 -0.95 0.00 0.00 178.83 180.31 1tkv h GLU 64 N 0.62 0.24 -0.00 1.46 5.08 -1.99 -2.22 114.58 117.77 1tkv h GLU 64 Ca 0.03 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1tkv h GLU 64 Cb 1.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1tkv h GLU 64 CO 0.11 0.36 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.66 1tkv h ASP 65 N 0.23 0.01 0.22 1.42 3.32 -1.93 -1.30 116.42 118.38 1tkv h ASP 65 Ca 0.05 -0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 1tkv h ASP 65 Cb 0.34 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.90 1tkv h ASP 65 CO 0.02 0.38 -1.18 0.11 -1.72 0.00 0.00 179.24 176.85 1tkv h LYS 66 N 0.01 0.55 0.00 3.56 1.57 -1.40 -2.91 116.57 117.95 1tkv h LYS 66 Ca -0.00 -0.72 -0.11 0.00 -1.87 0.00 0.00 60.65 57.96 1tkv h LYS 66 Cb 0.67 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1tkv h LYS 66 CO 0.05 1.31 -0.50 0.87 -0.57 0.00 0.00 179.45 180.61 1tkv h LYS 67 N 0.25 0.00 -0.82 3.15 1.57 -1.25 -1.22 116.57 118.25 1tkv h LYS 67 Ca -0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1tkv h LYS 67 Cb 1.85 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.13 1tkv h LYS 67 CO 0.22 0.50 0.45 1.15 -0.57 0.00 0.00 179.45 181.21 1tkv h THR 68 N 0.00 1.24 -0.14 -0.16 2.02 -1.20 -1.03 112.91 113.65 1tkv h THR 68 Ca -0.01 -0.60 -0.15 0.00 0.77 0.00 0.00 66.41 66.43 1tkv h THR 68 Cb 1.00 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1tkv h THR 68 CO 0.07 0.27 -0.54 -0.07 0.37 0.00 0.00 175.52 175.61 1tkv h LEU 69 N 1.14 0.45 -1.20 2.58 3.38 -1.23 -2.66 115.31 117.76 1tkv h LEU 69 Ca 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1tkv h LEU 69 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1tkv h LEU 69 CO -0.05 0.90 0.31 0.40 0.09 0.00 0.00 178.44 180.10 1tkv h ILE 70 N 0.31 1.20 -0.38 1.22 2.04 -1.06 -0.06 117.51 120.78 1tkv h ILE 70 Ca 0.01 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1tkv h ILE 70 Cb 1.05 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1tkv h ILE 70 CO 0.09 0.23 0.05 0.44 0.00 0.00 0.00 178.15 178.96 1tkv h ASP 71 N 0.86 0.54 0.81 1.72 5.19 -0.96 -3.07 116.42 121.51 1tkv h ASP 71 Ca 0.22 -0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 1tkv h ASP 71 Cb 0.07 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 1tkv h ASP 71 CO -0.03 0.57 -1.28 -0.33 -3.12 0.00 0.00 179.24 175.05 1tkv h GLU 72 N 0.56 0.00 -1.31 3.56 5.08 -1.08 -3.42 114.58 117.97 1tkv h GLU 72 Ca 0.13 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.04 1tkv h GLU 72 Cb 0.28 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.23 1tkv h GLU 72 CO 0.00 0.30 -0.89 1.19 -1.00 0.00 0.00 179.01 178.61 1tkv n PHE 73 N -2.92 -1.41 0.00 4.33 3.72 -0.09 -5.06 117.46 116.03 1tkv n PHE 73 Ca -0.08 -2.93 0.00 0.00 -0.05 0.00 0.00 57.45 54.39 1tkv n PHE 73 Cb 0.81 0.32 0.00 0.00 -0.94 0.00 0.00 39.48 39.67 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1tkv n ASN 74 N 1.50 0.00 0.08 4.37 3.02 -1.16 -0.76 115.26 122.31 1tkv n ASN 74 Ca 0.17 0.92 -0.08 0.00 -0.03 0.00 0.00 54.58 55.55 1tkv n ASN 74 Cb 0.56 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1tkv n ASN 74 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1tkv h GLU 75 N 0.00 0.24 -0.19 3.52 -0.00 -1.97 -3.20 114.58 112.97 1tkv h GLU 75 Ca 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 59.36 59.10 1tkv h GLU 75 Cb 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.80 1tkv h GLU 75 CO 0.00 0.92 -0.00 0.78 -0.00 0.00 0.00 179.01 180.71 1tkv h GLY 76 N 1.66 0.37 0.79 1.06 0.00 -1.97 -3.16 103.07 101.82 1tkv h GLY 76 Ca -0.04 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1tkv h GLY 76 CO 0.12 0.25 -0.25 -2.75 0.00 0.00 0.00 176.54 173.91 1tkv h PHE 77 N 0.10 0.55 -0.79 5.60 3.04 -1.06 -2.79 116.94 121.60 1tkv h PHE 77 Ca 0.05 -0.19 0.14 0.00 3.98 0.00 0.00 57.97 61.96 1tkv h PHE 77 Cb 0.39 -0.11 -0.14 0.00 2.56 0.00 0.00 35.95 38.65 1tkv h PHE 77 CO 0.03 0.88 -0.30 0.93 -2.02 0.00 0.00 178.31 177.84 1tkv h GLU 78 N 0.06 -0.06 0.67 1.11 5.08 -1.58 0.23 114.58 120.10 1tkv h GLU 78 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1tkv h GLU 78 Cb 0.83 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1tkv h GLU 78 CO 0.06 -0.04 -0.32 0.78 -1.00 0.00 0.00 179.01 178.49 1tkv h GLY 79 N -0.06 -0.95 2.00 -3.84 0.00 -1.62 -3.09 103.07 95.52 1tkv h GLY 79 Ca 0.33 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 48.00 1tkv h GLY 79 CO -0.83 -0.34 -0.02 -0.39 0.00 0.00 0.00 176.54 174.96 1tkv h VAL 80 N -1.21 0.05 0.00 4.60 -1.51 -1.19 -2.15 116.25 114.84 1tkv h VAL 80 Ca -0.09 -0.50 -0.10 0.00 -1.23 0.00 0.00 66.70 64.78 1tkv h VAL 80 Cb 0.69 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1tkv h VAL 80 CO 0.15 0.02 -0.54 0.22 -1.23 0.00 0.00 177.57 176.19 1tkv h TYR 81 N 0.00 0.00 -0.71 5.19 3.20 -0.64 -1.91 116.97 122.11 1tkv h TYR 81 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1tkv h TYR 81 Cb 0.47 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1tkv h TYR 81 CO 0.00 0.47 0.29 0.00 -1.64 0.00 0.00 178.16 177.28 1tkv h ARG 82 N 0.00 1.04 0.92 1.82 2.47 -1.29 -1.17 114.38 118.17 1tkv h ARG 82 Ca -0.01 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 1tkv h ARG 82 Cb 1.37 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1tkv h ARG 82 CO 0.06 0.84 -0.44 1.88 0.56 0.00 0.00 179.97 182.87 1tkv h TYR 83 N 1.02 -1.14 -0.20 3.04 -1.99 -1.51 -2.15 116.97 114.03 1tkv h TYR 83 Ca 0.24 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 61.00 1tkv h TYR 83 Cb 0.18 0.38 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 1tkv h TYR 83 CO 0.02 -0.71 0.15 -0.07 -0.00 0.00 0.00 178.16 177.54 1tkv h LEU 84 N -1.32 0.00 -0.35 3.88 3.38 -1.33 -2.38 115.31 117.18 1tkv h LEU 84 Ca -0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 1tkv h LEU 84 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1tkv h LEU 84 CO 0.21 0.00 -0.50 -0.33 0.09 0.00 0.00 178.44 177.91 1tkv h GLU 85 N 0.00 0.87 0.00 1.13 5.08 -0.96 -3.32 114.58 117.38 1tkv h GLU 85 Ca 0.10 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1tkv h GLU 85 Cb 0.38 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1tkv h GLU 85 CO -0.00 1.16 -0.51 0.00 -1.00 0.00 0.00 179.01 178.66 1tkv h MET 86 N 0.68 0.00 -0.01 2.33 -0.00 -0.87 -3.17 114.93 113.90 1tkv h MET 86 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1tkv h MET 86 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1tkv h MET 86 CO 0.11 0.00 -0.23 0.66 -0.00 0.00 0.00 176.91 177.46 1tkv n TYR 87 N -2.51 0.00 -3.68 -0.10 4.01 -1.12 -4.33 117.16 109.44 1tkv n TYR 87 Ca 0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.48 1tkv n TYR 87 Cb 0.49 -0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.24 1tkv n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tkv s THR 88 N -2.54 1.34 -0.34 -0.72 -1.32 -1.20 -2.27 115.64 108.59 1tkv s THR 88 Ca 0.25 -2.66 -0.29 0.00 -1.21 0.00 0.00 61.69 57.77 1tkv s THR 88 Cb 0.19 -1.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.26 1tkv s THR 88 CO 0.52 -0.95 1.19 0.20 -2.21 0.00 0.00 174.62 173.38 1tkv s ASN 89 N 0.21 6.75 0.00 8.08 0.01 -1.26 -4.94 114.94 123.78 1tkv s ASN 89 Ca 0.20 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.35 1tkv s ASN 89 Cb -0.19 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1tkv s ASN 89 CO -0.03 -1.05 0.41 0.29 -1.51 0.00 0.00 177.10 175.21