#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkv s LYS 3 N 0.00 1.33 -0.06 1.20 0.00 -1.26 -5.09 119.74 115.86 1tkv s LYS 3 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 55.97 54.44 1tkv s LYS 3 Cb 0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 37.83 36.08 1tkv s LYS 3 CO 0.00 0.36 0.69 -0.91 0.00 0.00 0.00 175.35 175.50 1tkv h ASN 4 N 3.62 -0.23 -0.85 0.03 2.35 -1.96 -3.42 115.58 115.11 1tkv h ASN 4 Ca -0.47 -0.23 0.14 0.00 -0.55 0.00 0.00 56.30 55.19 1tkv h ASN 4 Cb 1.19 0.06 -0.14 0.00 0.05 0.00 0.00 38.32 39.48 1tkv h ASN 4 CO 0.44 0.30 -0.36 -0.29 -1.65 0.00 0.00 177.43 175.86 1tkv h ILE 5 N -0.97 0.06 -0.76 2.81 2.10 -1.93 -1.92 117.51 116.91 1tkv h ILE 5 Ca -0.03 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.88 1tkv h ILE 5 Cb 0.45 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 36.21 1tkv h ILE 5 CO 0.05 0.00 0.34 0.44 -1.08 0.00 0.00 178.15 177.90 1tkv h ASP 6 N -0.06 1.01 -0.99 2.19 3.32 -1.98 -0.18 116.42 119.74 1tkv h ASP 6 Ca 0.31 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.32 1tkv h ASP 6 Cb 0.58 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 1tkv h ASP 6 CO -0.88 0.88 0.63 0.74 -1.72 0.00 0.00 179.24 178.89 1tkv h THR 7 N 1.08 0.94 -0.08 0.35 2.02 -1.60 -0.42 112.91 115.19 1tkv h THR 7 Ca 0.26 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1tkv h THR 7 Cb 0.15 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1tkv h THR 7 CO -0.03 0.18 0.02 0.58 0.37 0.00 0.00 175.52 176.65 1tkv h VAL 8 N 1.00 1.19 -0.78 3.16 2.07 -1.05 -2.57 116.25 119.27 1tkv h VAL 8 Ca 0.48 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1tkv h VAL 8 Cb 0.45 1.42 -0.11 0.00 -1.52 0.00 0.00 31.29 31.53 1tkv h VAL 8 CO -0.24 0.16 -0.53 -0.09 0.02 0.00 0.00 177.57 176.89 1tkv h ARG 9 N -0.07 -0.14 -0.15 1.57 2.43 -0.80 0.43 114.38 117.65 1tkv h ARG 9 Ca 0.03 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 1tkv h ARG 9 Cb 0.24 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1tkv h ARG 9 CO 0.00 -0.09 -0.43 1.05 -1.51 0.00 0.00 179.97 178.99 1tkv h GLU 10 N -0.14 0.37 -0.22 0.20 4.11 -1.11 -2.77 114.58 115.02 1tkv h GLU 10 Ca 0.17 -0.19 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 1tkv h GLU 10 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1tkv h GLU 10 CO -0.82 0.73 -0.21 0.82 0.07 0.00 0.00 179.01 179.61 1tkv h ILE 11 N 0.30 1.24 -0.71 -1.06 2.04 -1.08 -3.08 117.51 115.16 1tkv h ILE 11 Ca 0.02 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 64.84 1tkv h ILE 11 Cb 0.89 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1tkv h ILE 11 CO 0.07 0.35 0.39 0.40 0.00 0.00 0.00 178.15 179.36 1tkv h ILE 12 N 0.36 0.93 -0.37 -0.67 2.04 0.14 -0.01 117.51 119.92 1tkv h ILE 12 Ca 0.06 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1tkv h ILE 12 Cb 0.57 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1tkv h ILE 12 CO 0.04 0.13 -0.09 0.71 0.00 0.00 0.00 178.15 178.94 1tkv h THR 13 N 0.69 1.28 -0.60 -0.27 1.35 -1.45 -1.07 112.91 112.83 1tkv h THR 13 Ca 0.33 -1.16 0.10 0.00 -0.55 0.00 0.00 66.41 65.13 1tkv h THR 13 Cb 0.26 1.27 -0.08 0.00 -1.73 0.00 0.00 68.15 67.87 1tkv h THR 13 CO -0.21 0.38 0.20 0.58 -0.25 0.00 0.00 175.52 176.22 1tkv h VAL 14 N 0.52 0.73 -0.85 6.82 2.07 -1.47 -1.72 116.25 122.35 1tkv h VAL 14 Ca 0.09 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1tkv h VAL 14 Cb 0.60 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1tkv h VAL 14 CO 0.04 0.07 0.51 0.00 0.02 0.00 0.00 177.57 178.20 1tkv h ALA 15 N 1.43 1.08 0.00 1.67 0.00 -0.74 -1.97 119.26 120.74 1tkv h ALA 15 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1tkv h ALA 15 Cb 0.41 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1tkv h ALA 15 CO -0.33 0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1tkv n SER 16 N -4.43 0.66 0.12 0.00 3.41 -0.43 -2.34 113.62 110.61 1tkv n SER 16 Ca 0.09 0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1tkv n SER 16 Cb 0.06 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 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 0.87 -0.92 -1.33 1.08 -0.53 -0.26 117.51 116.41 1tkv h ILE 17 Ca 0.00 -0.42 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 1tkv h ILE 17 Cb 0.32 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 1tkv h ILE 17 CO 0.00 0.10 0.60 -0.07 -0.69 0.00 0.00 178.15 178.09 1tkv h LEU 18 N -0.49 0.94 -0.71 1.44 4.07 -1.40 -1.06 115.31 118.10 1tkv h LEU 18 Ca -0.03 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.80 1tkv h LEU 18 Cb 0.37 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1tkv h LEU 18 CO 0.05 0.61 -0.63 0.40 -1.08 0.00 0.00 178.44 177.79 1tkv h ILE 19 N 1.07 1.43 -0.88 1.22 2.04 -1.41 0.37 117.51 121.36 1tkv h ILE 19 Ca 0.39 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 1tkv h ILE 19 Cb 0.17 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1tkv h ILE 19 CO -0.15 0.61 0.53 0.50 0.00 0.00 0.00 178.15 179.64 1tkv h LYS 20 N 0.05 1.20 -0.14 2.37 3.64 0.18 -2.77 116.57 121.09 1tkv h LYS 20 Ca -0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1tkv h LYS 20 Cb 1.12 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1tkv h LYS 20 CO 0.09 0.84 0.00 1.19 -2.27 0.00 0.00 179.45 179.30 1tkv n PHE 21 N -4.36 0.18 -2.90 1.91 3.72 -0.64 -4.94 117.46 110.43 1tkv n PHE 21 Ca 0.10 -0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1tkv n PHE 21 Cb 0.06 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.27 -5.90 -2.35 4.37 2.88 -0.71 -4.91 113.62 107.27 1tkv n SER 22 Ca 0.16 -0.23 -0.35 0.00 -1.33 0.00 0.00 58.87 57.13 1tkv n SER 22 Cb 0.32 -4.80 0.07 0.00 -0.75 0.00 0.00 64.21 59.05 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 -3.79 2.76 0.30 -1.46 5.12 0.12 -4.76 116.66 114.95 1tkv n ARG 23 Ca -0.14 -3.37 0.17 0.00 -1.93 0.00 0.00 57.85 52.58 1tkv n ARG 23 Cb 0.63 -2.29 0.92 0.00 -1.16 0.00 0.00 32.46 30.56 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 2.09 0.00 -0.69 5.56 -0.00 -1.90 -2.81 114.58 116.82 1tkv h GLU 24 Ca 0.59 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 60.05 1tkv h GLU 24 Cb 0.80 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.44 1tkv h GLU 24 CO 1.53 0.04 -0.28 -0.25 -0.00 0.00 0.00 179.01 180.05 1tkv n ASP 25 N -3.52 -0.46 -0.20 3.06 9.92 -1.26 -1.49 116.55 122.61 1tkv n ASP 25 Ca -0.02 1.21 -0.03 0.00 -0.53 0.00 0.00 54.79 55.41 1tkv n ASP 25 Cb 0.15 -0.27 0.15 0.00 -0.64 0.00 0.00 41.12 40.51 1tkv n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1tkv h ILE 26 N 0.00 1.23 -0.26 0.53 2.04 -1.89 -2.54 117.51 116.62 1tkv h ILE 26 Ca 0.24 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 65.19 1tkv h ILE 26 Cb 0.41 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1tkv h ILE 26 CO -0.69 0.30 -0.41 0.58 0.00 0.00 0.00 178.15 177.93 1tkv h VAL 27 N 0.96 1.30 0.00 1.67 2.07 -1.51 -3.17 116.25 117.56 1tkv h VAL 27 Ca 0.22 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1tkv h VAL 27 Cb 0.22 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1tkv h VAL 27 CO -0.02 0.51 0.00 1.21 0.02 0.00 0.00 177.57 179.29 1tkv n GLU 28 N -4.03 0.06 -3.74 1.57 2.13 -0.55 -4.46 120.64 111.62 1tkv n GLU 28 Ca -0.02 0.15 -0.12 0.00 0.66 0.00 0.00 57.16 57.83 1tkv n GLU 28 Cb 0.53 -1.50 -0.12 0.00 0.27 0.00 0.00 31.44 30.62 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1tkv s ASN 29 N -2.32 -0.30 0.20 4.31 3.84 -1.26 -4.78 114.94 114.63 1tkv s ASN 29 Ca 0.03 0.58 -0.16 0.00 0.21 0.00 0.00 52.86 53.51 1tkv s ASN 29 Cb 0.02 0.50 0.19 0.00 -0.55 0.00 0.00 41.25 41.42 1tkv s ASN 29 CO 0.04 -0.14 1.61 0.08 -2.79 0.00 0.00 177.10 175.89 1tkv h ARG 30 N 6.65 -0.08 0.00 0.43 0.11 -1.64 -1.77 114.38 118.08 1tkv h ARG 30 Ca -0.35 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1tkv h ARG 30 Cb 1.17 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1tkv h ARG 30 CO 0.35 -0.05 0.00 0.00 0.10 0.00 0.00 179.97 180.37 1tkv n ALA 31 N -3.11 1.98 0.12 0.08 0.00 -1.26 -0.57 120.51 117.75 1tkv n ALA 31 Ca 0.06 0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 1tkv n ALA 31 Cb 0.35 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 1tkv n ALA 31 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1tkv h ASN 32 N 0.00 0.76 0.30 0.00 -0.26 -1.73 -3.16 115.58 111.49 1tkv h ASN 32 Ca 0.00 -0.93 -0.01 0.00 -0.56 0.00 0.00 56.30 54.80 1tkv h ASN 32 Cb 0.56 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1tkv h ASN 32 CO 0.00 1.63 -0.14 0.15 -1.06 0.00 0.00 177.43 178.01 1tkv h PHE 33 N 0.01 -0.37 -0.64 1.19 3.57 -0.70 -1.78 116.94 118.22 1tkv h PHE 33 Ca -0.23 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.38 1tkv h PHE 33 Cb 2.04 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.81 1tkv h PHE 33 CO 0.15 -0.20 0.18 0.82 -2.23 0.00 0.00 178.31 177.03 1tkv h ILE 34 N -0.44 0.66 0.00 1.41 2.04 -0.99 0.30 117.51 120.49 1tkv h ILE 34 Ca -0.04 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1tkv h ILE 34 Cb 0.33 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1tkv h ILE 34 CO 0.07 0.06 -0.24 0.00 0.00 0.00 0.00 178.15 178.04 1tkv h ALA 35 N 1.49 1.12 -0.13 1.87 0.00 -1.50 -1.51 119.26 120.61 1tkv h ALA 35 Ca 0.34 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1tkv h ALA 35 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tkv h ALA 35 CO -0.40 0.30 -0.46 0.35 0.00 0.00 0.00 179.25 179.04 1tkv h PHE 36 N 0.00 0.71 -0.18 0.00 3.57 -0.30 -0.94 116.94 119.79 1tkv h PHE 36 Ca -0.00 -0.30 0.05 0.00 3.53 0.00 0.00 57.97 61.25 1tkv h PHE 36 Cb 0.64 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1tkv h PHE 36 CO 0.00 1.06 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.96 1tkv h LEU 37 N 0.16 -0.36 -0.83 0.59 3.38 0.10 -0.69 115.31 117.66 1tkv h LEU 37 Ca -0.02 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1tkv h LEU 37 Cb 1.09 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1tkv h LEU 37 CO 0.10 -0.14 0.07 0.78 0.09 0.00 0.00 178.44 179.33 1tkv h ASN 38 N -0.10 0.90 -0.04 -0.43 2.35 -1.34 -0.09 115.58 116.83 1tkv h ASN 38 Ca 0.11 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1tkv h ASN 38 Cb 0.26 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 1tkv h ASN 38 CO -0.25 0.92 -0.48 -0.08 -1.65 0.00 0.00 177.43 175.89 1tkv h GLU 39 N 0.88 -0.59 0.00 0.81 4.81 -0.81 -2.93 114.58 116.75 1tkv h GLU 39 Ca 0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1tkv h GLU 39 Cb 0.42 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1tkv h GLU 39 CO 0.01 -0.39 0.00 -0.84 -0.73 0.00 0.00 179.01 177.06 1tkv h ILE 40 N -0.61 0.00 -0.98 2.32 3.07 -1.11 -3.48 117.51 116.73 1tkv h ILE 40 Ca 0.04 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.70 1tkv h ILE 40 Cb 0.69 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1tkv h ILE 40 CO -0.36 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.35 1tkv n GLY 41 N 0.64 0.62 3.70 0.16 0.00 -0.38 -5.08 105.19 104.84 1tkv n GLY 41 Ca 0.03 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.28 5.11 0.15 1.61 1.01 -0.19 -5.02 120.40 120.79 1tkv s VAL 42 Ca 0.00 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1tkv s VAL 42 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1tkv s VAL 42 CO 0.00 0.23 0.05 0.42 0.00 0.00 0.00 175.10 175.80 1tkv s THR 43 N 1.14 4.08 0.00 3.92 -4.23 -1.26 -4.47 115.64 114.82 1tkv s THR 43 Ca 0.29 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1tkv s THR 43 Cb -0.16 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1tkv s THR 43 CO 0.12 -0.06 0.00 1.57 -0.54 0.00 0.00 174.62 175.71 1tkv n HIS 44 N -0.05 0.00 -2.31 3.99 -0.00 -0.93 -4.76 115.22 111.16 1tkv n HIS 44 Ca -0.09 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.69 1tkv n HIS 44 Cb 0.54 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.42 1tkv n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1tkv n GLU 45 N 0.00 4.68 -0.81 1.57 0.28 -1.26 -4.59 120.64 120.51 1tkv n GLU 45 Ca 0.00 -4.07 0.00 0.00 -0.16 0.00 0.00 57.16 52.93 1tkv n GLU 45 Cb 0.00 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.41 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tkv n GLY 46 N 0.37 0.45 3.37 -1.84 0.00 -1.26 -4.76 105.19 101.52 1tkv n GLY 46 Ca 0.52 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.60 1.40 0.59 1.61 0.52 -1.26 -5.07 118.95 116.14 1tkv s ARG 47 Ca 0.00 -1.60 -0.17 0.00 -0.52 0.00 0.00 55.73 53.44 1tkv s ARG 47 Cb 0.00 -1.31 -0.03 0.00 0.52 0.00 0.00 34.95 34.12 1tkv s ARG 47 CO 0.00 0.24 1.10 0.15 0.02 0.00 0.00 175.30 176.81 1tkv s LYS 48 N -3.45 3.17 -0.20 3.54 -0.14 -1.26 -2.20 119.74 119.20 1tkv s LYS 48 Ca 0.23 1.42 -0.10 0.00 -1.36 0.00 0.00 55.97 56.16 1tkv s LYS 48 Cb -0.03 -2.00 -0.05 0.00 -1.68 0.00 0.00 37.83 34.08 1tkv s LYS 48 CO 0.09 -0.96 0.15 -1.17 -0.76 0.00 0.00 175.35 172.69 1tkv s LEU 49 N -4.33 4.21 0.53 3.17 0.20 -1.26 -4.77 118.68 116.43 1tkv s LEU 49 Ca 0.68 0.25 0.09 0.00 0.69 0.00 0.00 54.13 55.84 1tkv s LEU 49 Cb -0.20 -2.12 0.06 0.00 -0.43 0.00 0.00 46.19 43.49 1tkv s LEU 49 CO 0.34 0.16 0.70 0.20 -0.29 0.00 0.00 176.35 177.46 1tkv s ASN 50 N 0.43 5.20 0.00 3.68 -0.87 -1.26 -4.87 114.94 117.25 1tkv s ASN 50 Ca 0.09 -0.77 -0.19 0.00 -1.57 0.00 0.00 52.86 50.42 1tkv s ASN 50 Cb -0.11 0.06 -0.32 0.00 -0.02 0.00 0.00 41.25 40.86 1tkv s ASN 50 CO -0.01 -1.17 0.99 1.56 -2.57 0.00 0.00 177.10 175.90 1tkv h GLN 51 N 0.35 0.45 -0.00 -0.60 4.20 -1.98 -1.74 115.11 115.79 1tkv h GLN 51 Ca -0.33 -0.70 -0.00 0.00 0.06 0.00 0.00 58.65 57.68 1tkv h GLN 51 Cb 1.29 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.32 1tkv h GLN 51 CO 0.43 1.32 0.00 -2.95 -0.67 0.00 0.00 178.83 176.96 1tkv h ASN 52 N -0.06 0.00 0.15 1.46 -1.07 -2.00 -2.10 115.58 111.98 1tkv h ASN 52 Ca -0.18 -0.21 -0.01 0.00 0.07 0.00 0.00 56.30 55.97 1tkv h ASN 52 Cb 1.83 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 38.07 1tkv h ASN 52 CO 0.20 0.22 -0.03 0.28 0.07 0.00 0.00 177.43 178.17 1tkv h SER 53 N -0.21 0.00 -0.08 6.14 0.02 -1.98 -2.49 113.55 114.96 1tkv h SER 53 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1tkv h SER 53 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1tkv h SER 53 CO -0.00 0.03 -0.08 0.15 -1.14 0.00 0.00 176.83 175.78 1tkv h PHE 54 N 0.00 0.23 -0.12 3.45 3.57 -1.10 -2.97 116.94 120.00 1tkv h PHE 54 Ca -0.00 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1tkv h PHE 54 Cb 0.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1tkv h PHE 54 CO 0.00 0.64 -0.27 0.00 -2.23 0.00 0.00 178.31 176.45 1tkv h ARG 55 N -0.25 0.22 -0.77 1.11 3.08 -0.95 -2.39 114.38 114.43 1tkv h ARG 55 Ca 0.01 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1tkv h ARG 55 Cb 0.61 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1tkv h ARG 55 CO 0.02 0.48 0.29 1.57 -1.07 0.00 0.00 179.97 181.27 1tkv h LYS 56 N 0.20 1.16 -0.10 0.04 2.10 -1.54 -0.34 116.57 118.09 1tkv h LYS 56 Ca 0.03 -0.22 0.01 0.00 -2.00 0.00 0.00 60.65 58.48 1tkv h LYS 56 Cb 0.59 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1tkv h LYS 56 CO 0.04 0.95 0.01 -0.84 -2.00 0.00 0.00 179.45 177.61 1tkv h ILE 57 N 1.12 0.95 0.00 0.07 3.07 -1.27 -0.75 117.51 120.69 1tkv h ILE 57 Ca 0.25 -0.02 -0.12 0.00 1.55 0.00 0.00 64.86 66.53 1tkv h ILE 57 Cb 0.23 0.89 -0.02 0.00 -0.27 0.00 0.00 36.82 37.66 1tkv h ILE 57 CO -0.02 0.01 -0.74 -0.37 -1.05 0.00 0.00 178.15 175.98 1tkv h VAL 58 N 0.05 0.77 0.00 0.16 -1.51 -1.50 -3.39 116.25 110.83 1tkv h VAL 58 Ca 0.04 -2.16 0.00 0.00 -1.23 0.00 0.00 66.70 63.35 1tkv h VAL 58 Cb 0.04 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1tkv h VAL 58 CO -0.07 0.44 -0.02 0.28 -1.23 0.00 0.00 177.57 176.98 1tkv h SER 59 N 0.00 0.00 -0.10 4.19 0.02 -1.09 -3.42 113.55 113.15 1tkv h SER 59 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1tkv h SER 59 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1tkv h SER 59 CO 0.06 0.42 0.00 -1.84 -1.14 0.00 0.00 176.83 174.33 1tkv n GLU 60 N -4.26 1.26 -1.41 3.45 0.28 -0.29 -4.86 120.64 114.81 1tkv n GLU 60 Ca -0.00 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.16 56.21 1tkv n GLU 60 Cb 0.01 -1.12 0.01 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 -0.18 -0.80 -4.93 -1.84 4.77 -1.26 -5.01 117.00 107.75 1tkv n LEU 61 Ca 0.03 0.88 -0.28 0.00 -0.03 0.00 0.00 56.01 56.61 1tkv n LEU 61 Cb 0.11 -1.05 0.14 0.00 -2.33 0.00 0.00 43.42 40.29 1tkv n LEU 61 CO 0.03 -3.26 0.77 0.42 -1.33 0.00 0.00 177.39 174.02 1tkv s THR 62 N -1.53 2.06 0.12 -5.08 -4.23 -1.26 -4.95 115.64 100.77 1tkv s THR 62 Ca 0.62 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 1tkv s THR 62 Cb -0.61 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 1tkv s THR 62 CO 0.59 0.00 1.40 1.56 -0.54 0.00 0.00 174.62 177.63 1tkv h GLN 63 N -1.21 0.84 -0.00 3.99 7.50 -1.99 -3.05 115.11 121.19 1tkv h GLN 63 Ca -0.43 -0.53 -0.01 0.00 0.50 0.00 0.00 58.65 58.18 1tkv h GLN 63 Cb 1.27 0.06 -0.00 0.00 0.05 0.00 0.00 27.48 28.86 1tkv h GLN 63 CO 0.47 1.16 -0.03 0.93 -1.50 0.00 0.00 178.83 179.86 1tkv h GLU 64 N 0.61 0.00 -0.26 1.46 5.08 -1.97 0.29 114.58 119.79 1tkv h GLU 64 Ca 0.02 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1tkv h GLU 64 Cb 1.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1tkv h GLU 64 CO 0.11 0.03 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.23 1tkv h ASP 65 N 0.00 0.78 0.36 1.42 3.32 -1.92 -0.69 116.42 119.70 1tkv h ASP 65 Ca 0.00 -0.39 -0.32 0.00 0.02 0.00 0.00 57.03 56.34 1tkv h ASP 65 Cb 0.06 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1tkv h ASP 65 CO 0.00 1.13 -1.53 0.11 -1.72 0.00 0.00 179.24 177.23 1tkv h LYS 66 N 0.57 0.37 -0.34 3.56 1.57 -1.24 -3.06 116.57 118.00 1tkv h LYS 66 Ca 0.03 -0.63 -0.03 0.00 -1.87 0.00 0.00 60.65 58.14 1tkv h LYS 66 Cb 1.05 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1tkv h LYS 66 CO 0.10 1.27 0.06 0.87 -0.57 0.00 0.00 179.45 181.18 1tkv h LYS 67 N 0.10 0.50 -0.39 3.15 1.79 -0.44 0.48 116.57 121.76 1tkv h LYS 67 Ca -0.26 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.02 1tkv h LYS 67 Cb 2.07 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.62 1tkv h LYS 67 CO 0.20 0.48 -0.20 1.15 -1.08 0.00 0.00 179.45 179.99 1tkv h THR 68 N 0.49 1.27 0.00 -0.16 2.02 -1.11 -1.46 112.91 113.95 1tkv h THR 68 Ca 0.11 -1.30 -0.10 0.00 0.77 0.00 0.00 66.41 65.88 1tkv h THR 68 Cb 0.22 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1tkv h THR 68 CO -0.00 0.44 -0.50 -0.07 0.37 0.00 0.00 175.52 175.76 1tkv h LEU 69 N 0.67 0.00 -0.50 2.58 3.38 -1.23 -2.53 115.31 117.68 1tkv h LEU 69 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1tkv h LEU 69 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1tkv h LEU 69 CO 0.05 0.50 0.16 0.40 0.09 0.00 0.00 178.44 179.64 1tkv h ILE 70 N 0.00 1.23 -0.44 1.22 2.04 -0.73 -1.42 117.51 119.40 1tkv h ILE 70 Ca -0.00 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1tkv h ILE 70 Cb 1.34 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1tkv h ILE 70 CO 0.06 0.28 -0.04 0.44 0.00 0.00 0.00 178.15 178.90 1tkv h ASP 71 N 0.67 0.73 0.98 1.72 3.32 -1.20 -3.17 116.42 119.47 1tkv h ASP 71 Ca 0.16 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1tkv h ASP 71 Cb 0.27 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1tkv h ASP 71 CO -0.01 0.82 -1.02 -0.33 -1.72 0.00 0.00 179.24 176.98 1tkv h GLU 72 N 0.70 0.01 -2.47 3.56 5.08 -1.36 -3.41 114.58 116.68 1tkv h GLU 72 Ca 0.13 -0.01 -0.59 0.00 -1.00 0.00 0.00 59.36 57.89 1tkv h GLU 72 Cb 0.49 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.35 1tkv h GLU 72 CO 0.02 0.99 -0.90 1.19 -1.00 0.00 0.00 179.01 179.32 1tkv n PHE 73 N -3.35 0.07 0.02 4.33 3.01 -0.55 -5.00 117.46 116.00 1tkv n PHE 73 Ca -0.01 -3.55 -0.01 0.00 1.01 0.00 0.00 57.45 54.89 1tkv n PHE 73 Cb 0.94 0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 40.42 1tkv n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1tkv h ASN 74 N 5.40 -0.06 -0.27 4.37 4.21 -1.82 -1.96 115.58 125.45 1tkv h ASN 74 Ca 0.23 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 1tkv h ASN 74 Cb 0.87 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.08 1tkv h ASN 74 CO 0.46 -0.04 0.09 -0.33 -1.29 0.00 0.00 177.43 176.32 1tkv h GLU 75 N -0.06 0.42 0.37 0.81 3.07 -1.94 -3.15 114.58 114.10 1tkv h GLU 75 Ca -0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1tkv h GLU 75 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1tkv h GLU 75 CO 0.00 0.48 -0.33 0.78 -1.40 0.00 0.00 179.01 178.55 1tkv h GLY 76 N 0.27 -1.05 1.99 -3.84 0.00 -1.97 -3.18 103.07 95.29 1tkv h GLY 76 Ca 0.09 0.47 -0.18 0.00 0.00 0.00 0.00 47.33 47.71 1tkv h GLY 76 CO -0.00 -0.34 -0.87 -2.75 0.00 0.00 0.00 176.54 172.59 1tkv h PHE 77 N -0.69 0.01 -0.21 5.60 3.04 -1.47 -0.92 116.94 122.30 1tkv h PHE 77 Ca -0.05 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.95 1tkv h PHE 77 Cb 0.58 -0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.03 1tkv h PHE 77 CO -0.16 0.87 -0.23 0.93 -2.02 0.00 0.00 178.31 177.70 1tkv h GLU 78 N 0.00 -0.24 0.00 1.11 5.08 -1.64 0.64 114.58 119.54 1tkv h GLU 78 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1tkv h GLU 78 Cb 1.53 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1tkv h GLU 78 CO 0.11 -0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 1tkv n GLY 79 N -1.36 -2.28 0.26 -3.84 0.00 -1.12 -3.41 105.19 93.44 1tkv n GLY 79 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1tkv n GLY 79 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tkv h VAL 80 N 0.00 0.53 0.00 1.61 -1.51 -1.21 -2.39 116.25 113.28 1tkv h VAL 80 Ca 0.00 -0.62 -0.13 0.00 -1.23 0.00 0.00 66.70 64.72 1tkv h VAL 80 Cb 0.00 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.55 1tkv h VAL 80 CO 0.00 0.13 -0.62 0.22 -1.23 0.00 0.00 177.57 176.06 1tkv h TYR 81 N 0.00 0.00 -0.93 5.19 3.20 -1.00 0.60 116.97 124.04 1tkv h TYR 81 Ca -0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1tkv h TYR 81 Cb 0.40 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1tkv h TYR 81 CO 0.00 0.62 0.60 0.00 -1.64 0.00 0.00 178.16 177.74 1tkv h ARG 82 N 0.00 1.10 0.53 1.82 2.47 -1.44 -1.83 114.38 117.02 1tkv h ARG 82 Ca -0.01 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1tkv h ARG 82 Cb 1.19 -0.25 0.01 0.00 -1.65 0.00 0.00 29.97 29.27 1tkv h ARG 82 CO 0.08 0.73 -0.25 1.88 0.56 0.00 0.00 179.97 182.97 1tkv h TYR 83 N 1.13 -0.66 -0.90 3.04 -1.99 -1.47 -2.10 116.97 114.02 1tkv h TYR 83 Ca 0.38 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 61.16 1tkv h TYR 83 Cb 0.06 0.22 -0.06 0.00 2.00 0.00 0.00 36.73 38.95 1tkv h TYR 83 CO -0.01 -0.36 0.58 -0.07 -0.00 0.00 0.00 178.16 178.30 1tkv h LEU 84 N -1.11 0.90 0.58 3.88 3.38 -0.95 -2.84 115.31 119.15 1tkv h LEU 84 Ca -0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1tkv h LEU 84 Cb 0.60 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1tkv h LEU 84 CO 0.12 0.58 -0.28 -0.08 0.09 0.00 0.00 178.44 178.87 1tkv h GLU 85 N 1.02 -0.75 0.00 1.13 4.81 -1.25 -3.33 114.58 116.20 1tkv h GLU 85 Ca 0.39 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1tkv h GLU 85 Cb 0.20 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1tkv h GLU 85 CO -0.14 -0.46 -0.13 0.00 -0.73 0.00 0.00 179.01 177.55 1tkv h MET 86 N -1.13 0.00 0.00 1.92 -0.00 -1.35 -2.93 114.93 111.44 1tkv h MET 86 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1tkv h MET 86 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1tkv h MET 86 CO 0.13 0.13 0.00 0.66 -0.00 0.00 0.00 176.91 177.83 1tkv n TYR 87 N -4.20 0.00 -3.94 -0.10 4.01 -1.08 -4.26 117.16 107.59 1tkv n TYR 87 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 1tkv n TYR 87 Cb 0.20 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.12 2.74 -0.24 -0.72 -1.32 -1.11 -2.10 115.64 110.77 1tkv s THR 88 Ca 0.36 -1.69 -0.12 0.00 -1.21 0.00 0.00 61.69 59.03 1tkv s THR 88 Cb 0.18 -2.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1tkv s THR 88 CO 0.32 -0.25 0.25 0.20 -2.21 0.00 0.00 174.62 172.93 1tkv s ASN 89 N 1.25 6.21 0.00 8.08 0.01 -1.26 -5.00 114.94 124.23 1tkv s ASN 89 Ca -0.02 0.23 0.17 0.00 -0.71 0.00 0.00 52.86 52.53 1tkv s ASN 89 Cb -0.20 -2.15 0.14 0.00 0.41 0.00 0.00 41.25 39.44 1tkv s ASN 89 CO -0.03 -0.01 1.05 0.29 -1.51 0.00 0.00 177.10 176.88