#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 1.31 -0.08 3.52 0.00 -1.26 -5.08 118.16 116.56 1tkv n LYS 3 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1tkv n LYS 3 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1tkv n LYS 3 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1tkv n ASN 4 N 0.00 1.96 -0.34 -5.58 4.13 -1.26 -4.43 115.26 109.74 1tkv n ASN 4 Ca 0.00 0.30 0.07 0.00 1.68 0.00 0.00 54.58 56.62 1tkv n ASN 4 Cb 0.00 -0.86 0.16 0.00 -1.54 0.00 0.00 39.78 37.53 1tkv n ASN 4 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1tkv h ILE 5 N -0.61 0.04 -0.67 2.41 2.10 -1.94 -1.75 117.51 117.08 1tkv h ILE 5 Ca -0.45 -0.00 0.14 0.00 1.08 0.00 0.00 64.86 65.62 1tkv h ILE 5 Cb 1.62 0.04 -0.04 0.00 -1.09 0.00 0.00 36.82 37.34 1tkv h ILE 5 CO -0.15 0.00 0.46 0.44 -1.08 0.00 0.00 178.15 177.81 1tkv h ASP 6 N 0.00 0.31 0.20 2.19 3.32 -1.99 -1.55 116.42 118.89 1tkv h ASP 6 Ca 0.48 0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.21 1tkv h ASP 6 Cb 0.78 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.23 1tkv h ASP 6 CO -0.98 0.17 -2.11 0.41 -1.72 0.00 0.00 179.24 175.01 1tkv n THR 7 N -4.46 1.50 -0.29 0.35 -1.04 -0.68 -3.22 114.28 106.45 1tkv n THR 7 Ca 0.12 -0.81 -0.01 0.00 -2.04 0.00 0.00 64.05 61.32 1tkv n THR 7 Cb 0.51 -0.82 0.11 0.00 -1.82 0.00 0.00 70.33 68.32 1tkv n THR 7 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1tkv h VAL 8 N 0.00 1.08 -0.08 12.58 2.07 -1.24 -2.92 116.25 127.74 1tkv h VAL 8 Ca -0.44 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1tkv h VAL 8 Cb 2.12 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 1tkv h VAL 8 CO 0.04 0.18 -0.42 -0.09 0.02 0.00 0.00 177.57 177.30 1tkv h ARG 9 N 0.97 -0.50 0.00 1.57 1.12 -1.40 0.25 114.38 116.39 1tkv h ARG 9 Ca 0.34 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.22 1tkv h ARG 9 Cb 0.08 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1tkv h ARG 9 CO -0.14 -0.33 -0.12 1.05 -3.11 0.00 0.00 179.97 177.32 1tkv h GLU 10 N -0.52 0.00 0.00 0.20 4.11 -1.58 -2.86 114.58 113.94 1tkv h GLU 10 Ca 0.06 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.29 1tkv h GLU 10 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1tkv h GLU 10 CO -0.37 0.12 -1.03 0.82 0.07 0.00 0.00 179.01 178.62 1tkv h ILE 11 N 0.00 1.48 -0.54 -1.06 2.04 -1.04 -3.23 117.51 115.16 1tkv h ILE 11 Ca -0.00 -3.16 -0.00 0.00 1.00 0.00 0.00 64.86 62.70 1tkv h ILE 11 Cb 0.44 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 1tkv h ILE 11 CO 0.02 0.84 0.32 0.40 0.00 0.00 0.00 178.15 179.73 1tkv h ILE 12 N 0.00 1.16 0.12 -0.67 2.04 -0.33 0.27 117.51 120.10 1tkv h ILE 12 Ca -0.04 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1tkv h ILE 12 Cb 1.75 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1tkv h ILE 12 CO 0.11 0.17 -0.06 0.71 0.00 0.00 0.00 178.15 179.09 1tkv h THR 13 N 0.72 0.90 -0.44 -0.27 1.35 -1.61 0.63 112.91 114.20 1tkv h THR 13 Ca 0.19 -0.06 0.09 0.00 -0.55 0.00 0.00 66.41 66.08 1tkv h THR 13 Cb -0.01 0.94 -0.10 0.00 -1.73 0.00 0.00 68.15 67.26 1tkv h THR 13 CO -0.04 0.01 -0.27 0.58 -0.25 0.00 0.00 175.52 175.56 1tkv h VAL 14 N -0.19 0.29 -0.33 6.82 2.07 -1.55 -2.56 116.25 120.81 1tkv h VAL 14 Ca -0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1tkv h VAL 14 Cb 0.15 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1tkv h VAL 14 CO 0.03 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.59 1tkv h ALA 15 N 1.00 1.34 0.00 1.67 0.00 -0.14 0.03 119.26 123.16 1tkv h ALA 15 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tkv h ALA 15 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1tkv h ALA 15 CO -0.55 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1tkv n SER 16 N -4.26 0.34 -0.09 0.00 3.41 0.19 -1.99 113.62 111.21 1tkv n SER 16 Ca 0.01 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 59.07 1tkv n SER 16 Cb 0.26 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 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 1.30 0.00 -1.33 1.08 -0.58 0.27 117.51 118.26 1tkv h ILE 17 Ca 0.00 -1.33 -0.09 0.00 -0.39 0.00 0.00 64.86 63.06 1tkv h ILE 17 Cb 0.35 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1tkv h ILE 17 CO 0.00 0.42 -0.42 -0.07 -0.69 0.00 0.00 178.15 177.39 1tkv h LEU 18 N 0.34 0.00 -0.05 1.44 4.07 -1.26 -1.96 115.31 117.89 1tkv h LEU 18 Ca 0.05 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.83 1tkv h LEU 18 Cb 0.73 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.49 1tkv h LEU 18 CO 0.05 0.42 -0.70 0.40 -1.08 0.00 0.00 178.44 177.53 1tkv h ILE 19 N 0.00 1.36 -0.87 1.22 2.04 -1.39 0.28 117.51 120.15 1tkv h ILE 19 Ca -0.00 -2.03 0.12 0.00 1.00 0.00 0.00 64.86 63.95 1tkv h ILE 19 Cb 0.82 2.35 -0.13 0.00 -0.74 0.00 0.00 36.82 39.12 1tkv h ILE 19 CO 0.05 0.61 -0.38 1.17 0.00 0.00 0.00 178.15 179.61 1tkv n LYS 20 N -4.10 -0.24 -0.03 2.37 4.81 0.94 -0.83 118.16 121.08 1tkv n LYS 20 Ca -0.09 1.34 0.10 0.00 -0.87 0.00 0.00 58.31 58.78 1tkv n LYS 20 Cb 0.71 -1.98 0.52 0.00 0.02 0.00 0.00 35.03 34.30 1tkv n LYS 20 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1tkv n PHE 21 N -5.24 0.07 -3.52 5.64 3.72 -0.77 -4.92 117.46 112.43 1tkv n PHE 21 Ca 0.07 -0.03 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 1tkv n PHE 21 Cb 0.32 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 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 -4.61 -1.55 4.37 2.88 -0.01 -4.93 113.62 109.38 1tkv n SER 22 Ca 0.15 -0.57 -0.14 0.00 -1.33 0.00 0.00 58.87 56.98 1tkv n SER 22 Cb 0.17 -5.06 0.12 0.00 -0.75 0.00 0.00 64.21 58.69 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 -4.64 2.58 0.00 -1.46 5.12 0.98 -4.83 116.66 114.42 1tkv n ARG 23 Ca -0.11 -3.60 0.01 0.00 -1.93 0.00 0.00 57.85 52.21 1tkv n ARG 23 Cb 0.60 -2.02 0.03 0.00 -1.16 0.00 0.00 32.46 29.91 1tkv n ARG 23 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1tkv n GLU 24 N -0.94 0.06 0.09 5.56 -0.00 -1.20 -1.93 120.64 122.29 1tkv n GLU 24 Ca 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.42 1tkv n GLU 24 Cb 0.91 -1.25 -0.10 0.00 -0.00 0.00 0.00 31.44 31.00 1tkv n GLU 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1tkv h ASP 25 N 0.00 0.34 -0.25 -1.84 3.32 -1.91 -2.56 116.42 113.53 1tkv h ASP 25 Ca 0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1tkv h ASP 25 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1tkv h ASP 25 CO 0.00 1.22 0.09 0.40 -1.72 0.00 0.00 179.24 179.24 1tkv h ILE 26 N 0.09 1.18 0.00 0.35 2.04 -1.78 -3.21 117.51 116.17 1tkv h ILE 26 Ca -0.09 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1tkv h ILE 26 Cb 1.81 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1tkv h ILE 26 CO 0.18 0.18 -0.25 0.58 0.00 0.00 0.00 178.15 178.83 1tkv h VAL 27 N 0.24 0.64 -0.01 1.67 2.07 -1.72 -2.80 116.25 116.35 1tkv h VAL 27 Ca 0.08 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1tkv h VAL 27 Cb 0.20 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1tkv h VAL 27 CO -0.01 0.25 0.02 -0.08 0.02 0.00 0.00 177.57 177.77 1tkv h GLU 28 N 0.00 0.00 -5.37 1.57 4.81 -1.46 -3.42 114.58 110.72 1tkv h GLU 28 Ca -0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 1tkv h GLU 28 Cb 0.74 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.92 1tkv h GLU 28 CO 0.03 0.00 -0.66 1.21 -0.73 0.00 0.00 179.01 178.87 1tkv s ASN 29 N -5.75 4.88 0.16 1.04 3.84 -1.06 -4.70 114.94 113.35 1tkv s ASN 29 Ca -0.05 -0.09 -0.24 0.00 0.21 0.00 0.00 52.86 52.69 1tkv s ASN 29 Cb 0.14 -1.75 0.05 0.00 -0.55 0.00 0.00 41.25 39.14 1tkv s ASN 29 CO 0.49 0.19 1.59 -0.09 -2.79 0.00 0.00 177.10 176.49 1tkv h ARG 30 N 6.54 -0.26 0.10 0.43 2.43 -1.81 -3.16 114.38 118.66 1tkv h ARG 30 Ca -0.33 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1tkv h ARG 30 Cb 1.19 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1tkv h ARG 30 CO 0.63 -0.17 -0.05 0.00 -1.51 0.00 0.00 179.97 178.86 1tkv h ALA 31 N 0.67 -0.14 -0.95 2.80 0.00 -1.94 -3.10 119.26 116.60 1tkv h ALA 31 Ca 0.17 -0.26 0.34 0.00 0.00 0.00 0.00 54.91 55.16 1tkv h ALA 31 Cb 0.56 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.23 1tkv h ALA 31 CO -0.57 -0.24 0.32 0.09 0.00 0.00 0.00 179.25 178.85 1tkv n ASN 32 N -4.86 0.16 -0.03 0.00 5.03 -1.26 -1.58 115.26 112.73 1tkv n ASN 32 Ca -0.08 1.59 -0.11 0.00 0.87 0.00 0.00 54.58 56.85 1tkv n ASN 32 Cb 0.28 -0.70 -0.06 0.00 -1.02 0.00 0.00 39.78 38.29 1tkv n ASN 32 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1tkv h PHE 33 N 0.00 0.19 -0.74 3.10 3.57 -1.56 -1.67 116.94 119.84 1tkv h PHE 33 Ca 0.72 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.27 1tkv h PHE 33 Cb 1.76 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.38 1tkv h PHE 33 CO -0.20 0.31 0.42 0.82 -2.23 0.00 0.00 178.31 177.44 1tkv h ILE 34 N 0.02 0.96 -0.70 1.41 2.04 -1.21 0.26 117.51 120.29 1tkv h ILE 34 Ca 0.04 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1tkv h ILE 34 Cb 0.20 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1tkv h ILE 34 CO -0.00 0.14 0.31 0.00 0.00 0.00 0.00 178.15 178.59 1tkv h ALA 35 N 1.39 0.90 -0.91 1.87 0.00 -1.25 -2.27 119.26 118.99 1tkv h ALA 35 Ca 0.34 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1tkv h ALA 35 Cb 0.24 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1tkv h ALA 35 CO -0.20 0.49 0.60 0.35 0.00 0.00 0.00 179.25 180.48 1tkv h PHE 36 N 0.98 1.12 -0.37 0.00 3.57 -0.78 -0.19 116.94 121.27 1tkv h PHE 36 Ca 0.24 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1tkv h PHE 36 Cb 0.16 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1tkv h PHE 36 CO 0.01 0.66 0.06 -0.07 -2.23 0.00 0.00 178.31 176.74 1tkv h LEU 37 N 1.17 -0.03 -0.79 0.59 3.38 -0.05 -1.75 115.31 117.84 1tkv h LEU 37 Ca 0.35 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 1tkv h LEU 37 Cb -0.04 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1tkv h LEU 37 CO -0.10 0.02 -0.16 0.78 0.09 0.00 0.00 178.44 179.06 1tkv h ASN 38 N 0.17 0.74 0.24 -0.43 2.35 -0.97 -0.81 115.58 116.87 1tkv h ASN 38 Ca 0.18 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1tkv h ASN 38 Cb 0.22 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1tkv h ASN 38 CO -0.25 0.91 -0.35 -0.33 -1.65 0.00 0.00 177.43 175.75 1tkv h GLU 39 N 0.66 -0.63 0.00 0.81 4.39 -0.76 -3.28 114.58 115.77 1tkv h GLU 39 Ca 0.10 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1tkv h GLU 39 Cb 0.64 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1tkv h GLU 39 CO 0.05 -0.42 -0.56 -0.84 -1.16 0.00 0.00 179.01 176.07 1tkv h ILE 40 N -0.66 0.27 -0.81 3.13 3.07 -1.31 -3.49 117.51 117.72 1tkv h ILE 40 Ca 0.00 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 64.99 1tkv h ILE 40 Cb 0.64 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 1tkv h ILE 40 CO -0.13 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 177.74 1tkv n GLY 41 N 1.19 0.55 3.72 0.16 0.00 -0.39 -5.09 105.19 105.33 1tkv n GLY 41 Ca 0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.96 4.77 -0.01 1.61 1.01 -0.74 -5.04 120.40 120.05 1tkv s VAL 42 Ca 0.00 1.86 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1tkv s VAL 42 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1tkv s VAL 42 CO 0.00 0.26 -0.16 0.42 0.00 0.00 0.00 175.10 175.62 1tkv s THR 43 N 0.47 1.27 0.00 3.92 -4.23 -1.26 -4.31 115.64 111.50 1tkv s THR 43 Ca 0.45 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1tkv s THR 43 Cb -0.21 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1tkv s THR 43 CO 0.26 0.34 0.00 1.57 -0.54 0.00 0.00 174.62 176.24 1tkv n HIS 44 N 2.62 0.00 -1.35 3.99 -0.00 -1.16 -4.57 115.22 114.74 1tkv n HIS 44 Ca -0.15 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.77 1tkv n HIS 44 Cb 0.54 0.00 -0.01 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 2.30 -2.05 1.57 1.02 -1.26 -4.69 120.64 117.53 1tkv n GLU 45 Ca 0.00 -2.34 -0.19 0.00 -0.02 0.00 0.00 57.16 54.61 1tkv n GLU 45 Cb 0.00 -2.02 -0.04 0.00 -0.02 0.00 0.00 31.44 29.36 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tkv n GLY 46 N 0.41 0.47 3.34 0.62 0.00 -1.26 -5.02 105.19 103.75 1tkv n GLY 46 Ca 0.45 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.44 1.38 0.68 1.61 0.52 -1.26 -5.09 118.95 112.35 1tkv s ARG 47 Ca 0.00 -1.71 -0.13 0.00 -0.52 0.00 0.00 55.73 53.37 1tkv s ARG 47 Cb 0.00 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.87 1tkv s ARG 47 CO 0.00 -0.12 1.08 0.15 0.02 0.00 0.00 175.30 176.42 1tkv s LYS 48 N -3.88 2.83 -0.22 3.54 -0.14 -1.26 -3.00 119.74 117.61 1tkv s LYS 48 Ca 0.30 1.15 -0.09 0.00 -1.36 0.00 0.00 55.97 55.97 1tkv s LYS 48 Cb 0.06 -1.97 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 1tkv s LYS 48 CO 0.10 -1.20 0.12 -1.17 -0.76 0.00 0.00 175.35 172.44 1tkv s LEU 49 N -5.26 3.97 0.46 3.17 2.96 -1.26 -4.76 118.68 117.95 1tkv s LEU 49 Ca 0.62 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1tkv s LEU 49 Cb -0.16 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1tkv s LEU 49 CO 0.48 0.10 0.68 0.20 -1.32 0.00 0.00 176.35 176.50 1tkv s ASN 50 N 0.81 5.79 0.06 3.68 -0.87 -1.26 -4.82 114.94 118.33 1tkv s ASN 50 Ca 0.06 0.26 -0.17 0.00 -1.57 0.00 0.00 52.86 51.45 1tkv s ASN 50 Cb -0.13 -1.48 -0.16 0.00 -0.02 0.00 0.00 41.25 39.46 1tkv s ASN 50 CO 0.02 -0.74 1.28 1.56 -2.57 0.00 0.00 177.10 176.66 1tkv h GLN 51 N 0.37 0.58 -0.22 -0.60 4.20 -1.97 0.99 115.11 118.46 1tkv h GLN 51 Ca -0.46 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 57.75 1tkv h GLN 51 Cb 1.26 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1tkv h GLN 51 CO 0.57 1.05 -0.16 -2.95 -0.67 0.00 0.00 178.83 176.66 1tkv h ASN 52 N 0.22 0.52 0.64 1.46 -1.07 -1.99 -2.01 115.58 113.34 1tkv h ASN 52 Ca -0.02 -0.45 -0.04 0.00 0.07 0.00 0.00 56.30 55.87 1tkv h ASN 52 Cb 1.09 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 37.19 1tkv h ASN 52 CO 0.10 0.85 -0.17 0.28 0.07 0.00 0.00 177.43 178.56 1tkv h SER 53 N 0.18 0.00 -0.18 6.14 0.02 -1.96 -0.83 113.55 116.91 1tkv h SER 53 Ca 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1tkv h SER 53 Cb 0.68 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1tkv h SER 53 CO 0.04 0.17 -0.17 0.15 -1.14 0.00 0.00 176.83 175.88 1tkv h PHE 54 N 0.00 0.53 -0.75 3.45 3.57 -0.77 -2.97 116.94 120.01 1tkv h PHE 54 Ca -0.00 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1tkv h PHE 54 Cb 0.54 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1tkv h PHE 54 CO 0.00 0.80 0.25 -0.09 -2.23 0.00 0.00 178.31 177.04 1tkv h ARG 55 N 0.10 1.15 -0.90 1.11 2.43 -0.76 -2.33 114.38 115.19 1tkv h ARG 55 Ca 0.03 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1tkv h ARG 55 Cb 0.71 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 1tkv h ARG 55 CO 0.04 0.97 0.56 1.57 -1.51 0.00 0.00 179.97 181.60 1tkv h LYS 56 N 1.11 0.98 -0.61 0.20 2.10 -1.26 -0.77 116.57 118.32 1tkv h LYS 56 Ca 0.24 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.80 1tkv h LYS 56 Cb 0.28 -0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 1tkv h LYS 56 CO -0.01 0.65 0.25 -0.84 -2.00 0.00 0.00 179.45 177.50 1tkv h ILE 57 N 1.01 1.23 0.01 0.07 3.07 -1.25 -1.95 117.51 119.69 1tkv h ILE 57 Ca 0.40 -0.70 -0.16 0.00 1.55 0.00 0.00 64.86 65.95 1tkv h ILE 57 Cb 0.19 0.55 0.01 0.00 -0.27 0.00 0.00 36.82 37.31 1tkv h ILE 57 CO -0.18 0.27 -0.63 -0.37 -1.05 0.00 0.00 178.15 176.19 1tkv h VAL 58 N 0.84 1.42 0.08 0.16 -1.51 -1.38 -3.38 116.25 112.48 1tkv h VAL 58 Ca 0.20 -2.11 -0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1tkv h VAL 58 Cb 0.19 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1tkv h VAL 58 CO -0.02 0.61 -0.04 -1.28 -1.23 0.00 0.00 177.57 175.62 1tkv h SER 59 N -0.09 -0.09 -0.19 4.19 0.87 -1.16 -3.38 113.55 113.70 1tkv h SER 59 Ca -0.08 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1tkv h SER 59 Cb 1.35 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1tkv h SER 59 CO 0.12 0.57 0.00 -1.84 -0.53 0.00 0.00 176.83 175.15 1tkv n GLU 60 N -4.81 1.85 -0.98 2.24 0.28 -0.74 -4.92 120.64 113.56 1tkv n GLU 60 Ca -0.07 -0.85 -0.35 0.00 -0.16 0.00 0.00 57.16 55.73 1tkv n GLU 60 Cb 0.28 -1.47 0.08 0.00 1.43 0.00 0.00 31.44 31.76 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 0.16 -1.55 -4.92 -1.84 4.77 -1.26 -5.03 117.00 107.33 1tkv n LEU 61 Ca 0.08 0.37 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 1tkv n LEU 61 Cb 0.37 -1.08 0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1tkv n LEU 61 CO 0.07 -4.15 0.71 0.42 -1.33 0.00 0.00 177.39 173.12 1tkv s THR 62 N -2.16 2.13 0.06 -5.08 -4.23 -1.26 -5.01 115.64 100.09 1tkv s THR 62 Ca 0.55 -0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.68 1tkv s THR 62 Cb -0.25 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.47 1tkv s THR 62 CO 0.69 0.00 1.57 1.56 -0.54 0.00 0.00 174.62 177.90 1tkv h GLN 63 N -0.91 0.12 -1.00 3.99 1.08 -2.00 -3.20 115.11 113.19 1tkv h GLN 63 Ca -0.45 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 56.81 1tkv h GLN 63 Cb 1.31 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.65 1tkv h GLN 63 CO 0.58 0.27 0.64 0.93 -0.95 0.00 0.00 178.83 180.31 1tkv h GLU 64 N -0.06 1.08 -0.83 1.46 4.39 -1.98 0.13 114.58 118.79 1tkv h GLU 64 Ca 0.03 -0.07 0.19 0.00 0.34 0.00 0.00 59.36 59.85 1tkv h GLU 64 Cb 0.20 -0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 28.49 1tkv h GLU 64 CO -0.00 0.72 0.30 -0.44 -1.16 0.00 0.00 179.01 178.43 1tkv h ASP 65 N 1.12 0.20 0.96 1.42 5.19 -1.95 0.21 116.42 123.56 1tkv h ASP 65 Ca 0.45 0.15 -0.18 0.00 -0.62 0.00 0.00 57.03 56.83 1tkv h ASP 65 Cb 0.28 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 1tkv h ASP 65 CO -0.20 -0.00 -1.11 0.11 -3.12 0.00 0.00 179.24 174.91 1tkv h LYS 66 N 0.36 0.00 0.01 3.56 1.57 -1.05 -2.43 116.57 118.59 1tkv h LYS 66 Ca 0.49 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.05 1tkv h LYS 66 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1tkv h LYS 66 CO -0.51 0.53 -0.94 0.87 -0.57 0.00 0.00 179.45 178.83 1tkv h LYS 67 N 0.00 0.32 0.26 3.15 1.79 -0.66 -0.99 116.57 120.43 1tkv h LYS 67 Ca -0.11 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 1tkv h LYS 67 Cb 1.64 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1tkv h LYS 67 CO 0.07 1.06 -0.12 1.15 -1.08 0.00 0.00 179.45 180.53 1tkv h THR 68 N 0.17 0.75 -0.84 -0.16 2.02 -0.54 0.10 112.91 114.42 1tkv h THR 68 Ca -0.07 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.23 1tkv h THR 68 Cb 1.58 0.76 -0.09 0.00 -1.74 0.00 0.00 68.15 68.67 1tkv h THR 68 CO 0.16 0.00 0.44 -0.07 0.37 0.00 0.00 175.52 176.42 1tkv h LEU 69 N -0.35 0.54 -0.50 2.58 3.38 -1.42 -2.69 115.31 116.84 1tkv h LEU 69 Ca -0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1tkv h LEU 69 Cb 0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1tkv h LEU 69 CO 0.06 0.24 0.31 0.40 0.09 0.00 0.00 178.44 179.54 1tkv h ILE 70 N 0.64 1.15 -0.25 1.22 2.04 -0.80 0.07 117.51 121.58 1tkv h ILE 70 Ca 0.45 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1tkv h ILE 70 Cb 0.60 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1tkv h ILE 70 CO -0.34 0.15 0.18 0.44 0.00 0.00 0.00 178.15 178.58 1tkv h ASP 71 N 0.67 0.03 0.00 1.72 3.32 -0.52 -3.23 116.42 118.41 1tkv h ASP 71 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1tkv h ASP 71 Cb -0.02 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1tkv h ASP 71 CO -0.03 0.02 -1.40 -0.62 -1.72 0.00 0.00 179.24 175.48 1tkv n GLU 72 N -4.47 0.44 -2.76 3.56 1.02 -1.04 -4.70 120.64 112.69 1tkv n GLU 72 Ca 0.03 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.85 1tkv n GLU 72 Cb 0.31 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tkv n PHE 73 N -1.84 3.31 0.04 -0.32 3.72 -0.01 -4.98 117.46 117.39 1tkv n PHE 73 Ca -0.02 -3.56 -0.03 0.00 -0.05 0.00 0.00 57.45 53.78 1tkv n PHE 73 Cb 0.26 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1tkv n PHE 73 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1tkv h ASN 74 N 2.83 -0.29 -0.40 4.37 -0.26 -1.77 -1.17 115.58 118.89 1tkv h ASN 74 Ca 0.18 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 1tkv h ASN 74 Cb 0.75 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1tkv h ASN 74 CO 0.79 -0.12 -0.29 -0.33 -1.06 0.00 0.00 177.43 176.42 1tkv h GLU 75 N -0.17 0.90 0.12 0.81 5.08 -1.94 -3.09 114.58 116.30 1tkv h GLU 75 Ca -0.01 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1tkv h GLU 75 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1tkv h GLU 75 CO -0.03 1.09 -0.06 0.78 -1.00 0.00 0.00 179.01 179.79 1tkv h GLY 76 N 0.72 -0.17 1.63 -3.84 0.00 -1.97 -3.13 103.07 96.30 1tkv h GLY 76 Ca 0.08 0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.27 1tkv h GLY 76 CO 0.08 -0.06 -0.83 -2.75 0.00 0.00 0.00 176.54 172.98 1tkv h PHE 77 N -0.53 0.49 -0.62 5.60 3.04 -1.32 0.61 116.94 124.21 1tkv h PHE 77 Ca -0.02 -0.24 0.08 0.00 3.98 0.00 0.00 57.97 61.77 1tkv h PHE 77 Cb 0.42 -0.06 -0.11 0.00 2.56 0.00 0.00 35.95 38.76 1tkv h PHE 77 CO 0.04 1.03 -0.47 0.93 -2.02 0.00 0.00 178.31 177.82 1tkv h GLU 78 N 0.21 -0.21 0.56 1.11 4.39 -1.63 0.47 114.58 119.48 1tkv h GLU 78 Ca -0.05 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1tkv h GLU 78 Cb 1.43 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.13 1tkv h GLU 78 CO 0.14 -0.14 -0.27 0.78 -1.16 0.00 0.00 179.01 178.36 1tkv h GLY 79 N -0.22 -0.78 2.00 -3.84 0.00 -1.43 -3.18 103.07 95.61 1tkv h GLY 79 Ca 0.17 0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 1tkv h GLY 79 CO -0.71 -0.28 -0.27 -0.39 0.00 0.00 0.00 176.54 174.88 1tkv h VAL 80 N -0.85 0.64 -0.00 4.60 -1.51 -0.81 -2.68 116.25 115.64 1tkv h VAL 80 Ca -0.08 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1tkv h VAL 80 Cb 0.57 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1tkv h VAL 80 CO 0.13 0.26 -0.20 0.00 -1.23 0.00 0.00 177.57 176.53 1tkv n TYR 81 N -3.42 0.00 0.17 5.19 9.36 0.16 0.11 117.16 128.73 1tkv n TYR 81 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 1tkv n TYR 81 Cb 0.46 -0.26 -0.08 0.00 -0.63 0.00 0.00 39.34 38.83 1tkv n TYR 81 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1tkv h ARG 82 N 0.35 -0.44 -0.45 2.98 2.47 -1.45 -3.14 114.38 114.70 1tkv h ARG 82 Ca 0.00 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1tkv h ARG 82 Cb 0.44 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 1tkv h ARG 82 CO 0.00 -0.13 -0.22 1.88 0.56 0.00 0.00 179.97 182.07 1tkv h TYR 83 N -0.78 -0.54 0.00 3.04 -1.99 -1.45 -0.72 116.97 114.52 1tkv h TYR 83 Ca -0.05 0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1tkv h TYR 83 Cb 0.51 0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 1tkv h TYR 83 CO 0.02 -0.30 -0.53 -0.07 -0.00 0.00 0.00 178.16 177.28 1tkv h LEU 84 N -0.12 0.00 0.71 3.88 3.38 -0.49 -3.09 115.31 119.58 1tkv h LEU 84 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1tkv h LEU 84 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1tkv h LEU 84 CO -0.53 0.53 -0.34 -0.08 0.09 0.00 0.00 178.44 178.11 1tkv h GLU 85 N 0.00 -0.92 -0.20 1.13 4.81 -1.27 -3.28 114.58 114.85 1tkv h GLU 85 Ca -0.01 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1tkv h GLU 85 Cb 1.00 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1tkv h GLU 85 CO 0.07 -0.62 -0.06 0.00 -0.73 0.00 0.00 179.01 177.68 1tkv h MET 86 N -1.15 -0.01 0.00 1.92 -0.00 -1.16 -1.51 114.93 113.02 1tkv h MET 86 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1tkv h MET 86 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.34 1tkv h MET 86 CO 0.16 -0.01 0.19 0.66 -0.00 0.00 0.00 176.91 177.91 1tkv n TYR 87 N -5.21 0.39 -2.38 -0.10 4.01 -1.17 -0.63 117.16 112.06 1tkv n TYR 87 Ca -0.02 0.20 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1tkv n TYR 87 Cb 0.13 -0.69 0.03 0.00 -0.31 0.00 0.00 39.34 38.51 1tkv n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1tkv n THR 88 N -1.91 1.96 -2.80 -0.72 5.66 -0.61 -3.74 114.28 112.12 1tkv n THR 88 Ca -0.01 -3.63 -0.42 0.00 -3.05 0.00 0.00 64.05 56.94 1tkv n THR 88 Cb 0.21 -0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 68.91 1tkv n THR 88 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1tkv s ASN 89 N -3.69 7.14 0.00 1.09 0.01 0.19 -4.97 114.94 114.72 1tkv s ASN 89 Ca 0.40 1.39 0.26 0.00 -0.71 0.00 0.00 52.86 54.21 1tkv s ASN 89 Cb 0.37 -2.51 0.65 0.00 0.41 0.00 0.00 41.25 40.17 1tkv s ASN 89 CO 0.00 -0.37 1.52 0.29 -1.51 0.00 0.00 177.10 177.04