#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 2.02 -0.01 1.20 0.00 -1.26 -5.07 119.74 116.62 1tkv s LYS 3 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 55.97 54.86 1tkv s LYS 3 Cb 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 37.83 35.45 1tkv s LYS 3 CO 0.00 0.55 0.83 -0.91 0.00 0.00 0.00 175.35 175.82 1tkv h ASN 4 N 5.14 0.69 -0.32 0.03 4.21 -1.97 -3.41 115.58 119.94 1tkv h ASN 4 Ca -0.45 -0.88 0.07 0.00 1.21 0.00 0.00 56.30 56.25 1tkv h ASN 4 Cb 1.13 -0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 38.04 1tkv h ASN 4 CO 0.46 1.72 -0.15 -0.29 -1.29 0.00 0.00 177.43 177.88 1tkv h ILE 5 N 0.12 0.53 -0.07 2.81 2.10 -1.95 -2.35 117.51 118.69 1tkv h ILE 5 Ca -0.30 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.58 1tkv h ILE 5 Cb 2.12 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 38.37 1tkv h ILE 5 CO 0.22 0.00 -0.26 0.44 -1.08 0.00 0.00 178.15 177.47 1tkv h ASP 6 N -0.10 0.12 -0.30 2.19 3.32 -1.99 -1.35 116.42 118.30 1tkv h ASP 6 Ca 0.16 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1tkv h ASP 6 Cb 0.35 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1tkv h ASP 6 CO -0.38 0.39 -0.10 0.74 -1.72 0.00 0.00 179.24 178.17 1tkv h THR 7 N 0.12 1.25 -0.60 0.35 2.02 -1.67 0.20 112.91 114.57 1tkv h THR 7 Ca 0.02 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.02 1tkv h THR 7 Cb 0.53 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1tkv h THR 7 CO 0.04 0.38 0.11 0.58 0.37 0.00 0.00 175.52 177.00 1tkv h VAL 8 N 0.65 1.25 -0.01 3.16 2.07 -1.12 -1.22 116.25 121.03 1tkv h VAL 8 Ca 0.12 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1tkv h VAL 8 Cb 0.55 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1tkv h VAL 8 CO 0.03 0.35 -0.00 -0.09 0.02 0.00 0.00 177.57 177.88 1tkv h ARG 9 N 0.91 0.02 -0.33 1.57 2.43 -0.79 -0.22 114.38 117.96 1tkv h ARG 9 Ca 0.19 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1tkv h ARG 9 Cb 0.37 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1tkv h ARG 9 CO 0.01 0.44 -0.17 0.93 -1.51 0.00 0.00 179.97 179.67 1tkv h GLU 10 N -0.40 -0.11 0.00 0.20 5.08 -0.93 -1.95 114.58 116.47 1tkv h GLU 10 Ca 0.00 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1tkv h GLU 10 Cb 0.43 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1tkv h GLU 10 CO 0.00 -0.08 -0.48 0.82 -1.00 0.00 0.00 179.01 178.28 1tkv h ILE 11 N -0.12 1.00 0.07 3.13 2.04 -1.22 -2.96 117.51 119.45 1tkv h ILE 11 Ca 0.17 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 64.15 1tkv h ILE 11 Cb 0.38 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1tkv h ILE 11 CO -0.41 0.47 -0.14 0.40 0.00 0.00 0.00 178.15 178.48 1tkv h ILE 12 N 0.00 0.68 -0.43 -0.67 2.04 -0.41 0.77 117.51 119.49 1tkv h ILE 12 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1tkv h ILE 12 Cb 1.10 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1tkv h ILE 12 CO 0.06 0.00 0.14 0.71 0.00 0.00 0.00 178.15 179.06 1tkv h THR 13 N -0.26 0.84 -0.72 -0.27 1.35 -1.34 -0.60 112.91 111.90 1tkv h THR 13 Ca 0.03 -0.10 0.07 0.00 -0.55 0.00 0.00 66.41 65.85 1tkv h THR 13 Cb 0.29 0.52 -0.06 0.00 -1.73 0.00 0.00 68.15 67.17 1tkv h THR 13 CO -0.09 0.05 0.41 0.58 -0.25 0.00 0.00 175.52 176.22 1tkv h VAL 14 N 0.30 0.96 -0.11 6.82 2.07 -1.46 -2.07 116.25 122.75 1tkv h VAL 14 Ca 0.20 -0.25 -0.22 0.00 0.82 0.00 0.00 66.70 67.26 1tkv h VAL 14 Cb 0.21 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1tkv h VAL 14 CO -0.22 0.13 -0.80 0.00 0.02 0.00 0.00 177.57 176.70 1tkv h ALA 15 N 1.38 0.37 0.00 1.67 0.00 -0.30 -2.95 119.26 119.44 1tkv h ALA 15 Ca 0.33 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1tkv h ALA 15 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tkv h ALA 15 CO -0.20 0.71 -0.08 0.66 0.00 0.00 0.00 179.25 180.34 1tkv h SER 16 N 0.44 0.00 -0.24 0.00 4.64 -1.00 -1.64 113.55 115.75 1tkv h SER 16 Ca -0.06 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1tkv h SER 16 Cb 1.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.45 1tkv h SER 16 CO 0.16 0.08 -0.10 0.40 -0.87 0.00 0.00 176.83 176.49 1tkv h ILE 17 N 0.00 0.66 -0.56 0.95 1.08 -1.20 0.26 117.51 118.70 1tkv h ILE 17 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1tkv h ILE 17 Cb 0.23 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1tkv h ILE 17 CO 0.01 0.00 0.35 -0.07 -0.69 0.00 0.00 178.15 177.75 1tkv h LEU 18 N -0.07 0.65 -0.66 1.44 4.07 -1.28 -2.05 115.31 117.41 1tkv h LEU 18 Ca 0.13 -0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 1tkv h LEU 18 Cb 0.26 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1tkv h LEU 18 CO -0.28 0.50 -0.20 0.40 -1.08 0.00 0.00 178.44 177.77 1tkv h ILE 19 N 0.75 1.27 -1.13 1.22 2.04 -1.17 0.27 117.51 120.76 1tkv h ILE 19 Ca 0.20 -1.33 0.33 0.00 1.00 0.00 0.00 64.86 65.07 1tkv h ILE 19 Cb -0.05 1.16 -0.12 0.00 -0.74 0.00 0.00 36.82 37.07 1tkv h ILE 19 CO -0.04 0.45 0.71 0.50 0.00 0.00 0.00 178.15 179.77 1tkv h LYS 20 N 0.73 0.27 -0.27 2.37 3.64 0.02 0.07 116.57 123.40 1tkv h LYS 20 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1tkv h LYS 20 Cb 0.73 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1tkv h LYS 20 CO 0.06 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.61 1tkv n PHE 21 N -4.73 0.35 -3.70 1.91 3.72 -0.82 -4.96 117.46 109.23 1tkv n PHE 21 Ca 0.31 -0.18 -0.25 0.00 -0.05 0.00 0.00 57.45 57.28 1tkv n PHE 21 Cb 1.08 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.68 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 0.86 -5.27 -2.92 4.37 2.88 0.01 -4.94 113.62 108.60 1tkv n SER 22 Ca 0.17 -0.64 -0.37 0.00 -1.33 0.00 0.00 58.87 56.70 1tkv n SER 22 Cb 0.45 -4.61 0.03 0.00 -0.75 0.00 0.00 64.21 59.33 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 -4.80 3.25 0.13 -1.46 5.12 0.89 -4.66 116.66 115.13 1tkv n ARG 23 Ca -0.02 -3.92 0.13 0.00 -1.93 0.00 0.00 57.85 52.11 1tkv n ARG 23 Cb 0.56 -2.29 0.34 0.00 -1.16 0.00 0.00 32.46 29.91 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 3.07 0.00 -0.00 5.56 -0.00 -1.89 -1.94 114.58 119.37 1tkv h GLU 24 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.86 1tkv h GLU 24 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.01 1tkv h GLU 24 CO 1.26 0.00 0.28 -0.44 -0.00 0.00 0.00 179.01 180.11 1tkv h ASP 25 N 0.00 0.00 0.09 3.06 3.32 -1.96 0.90 116.42 121.83 1tkv h ASP 25 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1tkv h ASP 25 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1tkv h ASP 25 CO 0.00 0.00 -0.94 0.40 -1.72 0.00 0.00 179.24 176.98 1tkv h ILE 26 N 0.00 1.31 -0.27 0.35 2.04 -1.74 -3.39 117.51 115.81 1tkv h ILE 26 Ca 0.00 -2.40 -0.08 0.00 1.00 0.00 0.00 64.86 63.38 1tkv h ILE 26 Cb 0.56 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1tkv h ILE 26 CO -0.00 0.64 -0.16 0.58 0.00 0.00 0.00 178.15 179.21 1tkv h VAL 27 N -0.55 1.24 -0.04 1.67 2.07 -1.28 -2.95 116.25 116.40 1tkv h VAL 27 Ca -0.20 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1tkv h VAL 27 Cb 1.52 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1tkv h VAL 27 CO 0.04 0.35 0.06 1.05 0.02 0.00 0.00 177.57 179.09 1tkv h GLU 28 N 0.44 0.00 -4.98 1.57 4.11 -1.06 -3.40 114.58 111.25 1tkv h GLU 28 Ca 0.08 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.85 1tkv h GLU 28 Cb 0.53 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.50 1tkv h GLU 28 CO 0.03 0.00 -0.73 1.21 0.07 0.00 0.00 179.01 179.59 1tkv s ASN 29 N -5.75 4.26 0.16 3.06 3.84 -1.11 -4.72 114.94 114.68 1tkv s ASN 29 Ca -0.05 -0.48 -0.27 0.00 0.21 0.00 0.00 52.86 52.27 1tkv s ASN 29 Cb 0.14 -1.72 0.01 0.00 -0.55 0.00 0.00 41.25 39.13 1tkv s ASN 29 CO 0.50 -0.04 1.56 -0.09 -2.79 0.00 0.00 177.10 176.24 1tkv h ARG 30 N 8.10 -0.23 -0.18 0.43 2.43 -1.78 -1.86 114.38 121.27 1tkv h ARG 30 Ca -0.40 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 1tkv h ARG 30 Cb 1.15 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1tkv h ARG 30 CO 0.60 -0.16 -0.25 0.00 -1.51 0.00 0.00 179.97 178.66 1tkv h ALA 31 N 0.51 0.28 -0.37 2.80 0.00 -1.94 -1.66 119.26 118.88 1tkv h ALA 31 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1tkv h ALA 31 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1tkv h ALA 31 CO -0.69 0.26 0.25 -0.91 0.00 0.00 0.00 179.25 178.16 1tkv h ASN 32 N 0.15 0.33 0.01 0.00 2.35 -1.85 0.11 115.58 116.67 1tkv h ASN 32 Ca 0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1tkv h ASN 32 Cb 0.82 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1tkv h ASN 32 CO 0.06 0.23 -0.00 0.15 -1.65 0.00 0.00 177.43 176.21 1tkv h PHE 33 N 0.38 -0.01 -0.65 1.19 3.57 -1.18 -2.30 116.94 117.95 1tkv h PHE 33 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1tkv h PHE 33 Cb 0.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1tkv h PHE 33 CO -0.00 0.38 0.43 0.82 -2.23 0.00 0.00 178.31 177.71 1tkv h ILE 34 N -0.40 1.07 0.18 1.41 2.04 -0.95 0.17 117.51 121.02 1tkv h ILE 34 Ca -0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1tkv h ILE 34 Cb 0.40 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1tkv h ILE 34 CO 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 178.15 178.16 1tkv h ALA 35 N 1.63 -0.29 -0.80 1.87 0.00 -0.80 -1.62 119.26 119.25 1tkv h ALA 35 Ca 0.26 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1tkv h ALA 35 Cb 0.13 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1tkv h ALA 35 CO -0.08 -0.68 0.45 0.35 0.00 0.00 0.00 179.25 179.30 1tkv h PHE 36 N -0.31 0.82 -0.83 0.00 3.57 -0.77 -1.13 116.94 118.29 1tkv h PHE 36 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1tkv h PHE 36 Cb 0.27 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1tkv h PHE 36 CO -0.10 0.34 0.54 -0.07 -2.23 0.00 0.00 178.31 176.79 1tkv h LEU 37 N 0.77 0.76 -0.44 0.59 3.38 -0.31 -0.49 115.31 119.57 1tkv h LEU 37 Ca 0.38 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 1tkv h LEU 37 Cb 0.33 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1tkv h LEU 37 CO -0.24 0.47 -0.76 0.78 0.09 0.00 0.00 178.44 178.78 1tkv h ASN 38 N 0.85 0.25 -0.08 -0.43 2.35 -0.54 -0.60 115.58 117.38 1tkv h ASN 38 Ca 0.37 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1tkv h ASN 38 Cb 0.32 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1tkv h ASN 38 CO -0.14 0.92 0.03 -0.33 -1.65 0.00 0.00 177.43 176.26 1tkv h GLU 39 N 0.13 0.13 0.00 0.81 4.39 -0.53 -3.24 114.58 116.27 1tkv h GLU 39 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1tkv h GLU 39 Cb 1.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1tkv h GLU 39 CO 0.12 0.28 -0.75 -0.84 -1.16 0.00 0.00 179.01 176.66 1tkv h ILE 40 N -0.05 0.00 -1.82 3.13 3.07 -1.20 -3.49 117.51 117.15 1tkv h ILE 40 Ca 0.03 -1.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.43 1tkv h ILE 40 Cb 0.21 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1tkv h ILE 40 CO -0.00 0.00 -0.01 0.61 -1.05 0.00 0.00 178.15 177.70 1tkv n GLY 41 N 1.16 0.55 3.70 0.16 0.00 -0.28 -5.05 105.19 105.44 1tkv n GLY 41 Ca 0.01 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.01 4.93 0.04 1.61 1.01 -0.93 -5.03 120.40 119.01 1tkv s VAL 42 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1tkv s VAL 42 Cb -0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1tkv s VAL 42 CO 0.01 0.15 -0.05 0.42 0.00 0.00 0.00 175.10 175.63 1tkv s THR 43 N 1.27 3.71 0.00 3.92 -4.23 -1.26 -4.16 115.64 114.90 1tkv s THR 43 Ca 0.44 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1tkv s THR 43 Cb -0.19 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1tkv s THR 43 CO 0.20 0.29 0.00 1.57 -0.54 0.00 0.00 174.62 176.14 1tkv n HIS 44 N 1.21 0.00 -0.68 3.99 -0.00 -1.07 -4.64 115.22 114.03 1tkv n HIS 44 Ca -0.14 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.89 1tkv n HIS 44 Cb 0.52 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.44 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 -0.80 1.73 -0.75 1.57 1.02 -1.26 -4.65 120.64 117.49 1tkv n GLU 45 Ca 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 1tkv n GLU 45 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.24 1.13 3.55 0.62 0.00 -1.26 -5.00 105.19 104.47 1tkv n GLY 46 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.14 1.82 0.40 1.61 0.52 -1.26 -5.01 118.95 116.90 1tkv s ARG 47 Ca 0.00 -1.94 -0.23 0.00 -0.52 0.00 0.00 55.73 53.04 1tkv s ARG 47 Cb 0.00 -1.71 -0.10 0.00 0.52 0.00 0.00 34.95 33.66 1tkv s ARG 47 CO 0.00 0.14 0.98 0.15 0.02 0.00 0.00 175.30 176.59 1tkv s LYS 48 N -3.61 4.25 -0.22 3.54 1.02 -1.26 -2.59 119.74 120.88 1tkv s LYS 48 Ca 0.33 1.29 -0.15 0.00 0.02 0.00 0.00 55.97 57.46 1tkv s LYS 48 Cb 0.02 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1tkv s LYS 48 CO 0.17 -0.03 0.35 -1.17 -0.92 0.00 0.00 175.35 173.75 1tkv s LEU 49 N -2.81 4.13 0.42 3.17 2.96 -1.26 -4.86 118.68 120.44 1tkv s LEU 49 Ca 0.59 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.98 1tkv s LEU 49 Cb -0.15 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.12 1tkv s LEU 49 CO 0.20 -0.06 0.58 0.20 -1.32 0.00 0.00 176.35 175.95 1tkv s ASN 50 N 1.11 5.67 0.06 3.68 0.01 -1.26 -4.66 114.94 119.55 1tkv s ASN 50 Ca 0.16 -0.34 -0.17 0.00 -0.71 0.00 0.00 52.86 51.80 1tkv s ASN 50 Cb -0.15 -0.77 -0.14 0.00 0.41 0.00 0.00 41.25 40.60 1tkv s ASN 50 CO 0.07 -0.75 1.31 1.56 -1.51 0.00 0.00 177.10 177.78 1tkv h GLN 51 N 0.62 0.54 -0.65 -0.60 4.20 -1.96 0.33 115.11 117.58 1tkv h GLN 51 Ca -0.41 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 57.86 1tkv h GLN 51 Cb 1.28 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1tkv h GLN 51 CO 0.47 0.97 0.08 -2.95 -0.67 0.00 0.00 178.83 176.73 1tkv h ASN 52 N 0.19 1.06 0.91 1.46 7.08 -1.99 -1.27 115.58 123.02 1tkv h ASN 52 Ca 0.00 -0.27 -0.18 0.00 -3.08 0.00 0.00 56.30 52.77 1tkv h ASN 52 Cb 0.96 -0.28 -0.03 0.00 -2.08 0.00 0.00 38.32 36.89 1tkv h ASN 52 CO 0.08 1.06 -0.85 0.28 -2.08 0.00 0.00 177.43 175.92 1tkv h SER 53 N 1.01 0.00 0.05 6.14 0.02 -1.96 -2.08 113.55 116.72 1tkv h SER 53 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1tkv h SER 53 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1tkv h SER 53 CO 0.02 0.85 -0.05 0.15 -1.14 0.00 0.00 176.83 176.66 1tkv h PHE 54 N 0.00 -0.12 0.00 3.45 3.57 -0.34 -2.83 116.94 120.66 1tkv h PHE 54 Ca -0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1tkv h PHE 54 Cb 1.53 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1tkv h PHE 54 CO 0.00 -0.08 -0.23 -0.09 -2.23 0.00 0.00 178.31 175.68 1tkv h ARG 55 N -0.11 0.00 -0.23 1.11 2.43 -1.02 -2.58 114.38 113.98 1tkv h ARG 55 Ca 0.01 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1tkv h ARG 55 Cb 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1tkv h ARG 55 CO -0.02 0.23 -0.44 1.57 -1.51 0.00 0.00 179.97 179.80 1tkv h LYS 56 N 0.00 0.58 -0.55 0.20 2.10 -1.40 -2.50 116.57 115.00 1tkv h LYS 56 Ca -0.00 -0.31 -0.05 0.00 -2.00 0.00 0.00 60.65 58.29 1tkv h LYS 56 Cb 0.43 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1tkv h LYS 56 CO 0.03 0.91 0.14 -0.84 -2.00 0.00 0.00 179.45 177.69 1tkv h ILE 57 N 0.47 1.24 0.17 0.07 3.07 -1.20 -3.13 117.51 118.19 1tkv h ILE 57 Ca 0.03 -0.86 -0.35 0.00 1.55 0.00 0.00 64.86 65.24 1tkv h ILE 57 Cb 0.96 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 1tkv h ILE 57 CO 0.09 0.32 -1.79 -0.37 -1.05 0.00 0.00 178.15 175.34 1tkv h VAL 58 N 0.77 0.87 0.01 0.16 -1.51 -1.61 -3.41 116.25 111.53 1tkv h VAL 58 Ca 0.17 -2.46 -0.00 0.00 -1.23 0.00 0.00 66.70 63.18 1tkv h VAL 58 Cb 0.33 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 1tkv h VAL 58 CO -0.00 0.86 -0.01 -1.28 -1.23 0.00 0.00 177.57 175.91 1tkv h SER 59 N 0.07 -0.02 -0.24 4.19 0.87 -1.56 -3.41 113.55 113.46 1tkv h SER 59 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1tkv h SER 59 Cb 2.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1tkv h SER 59 CO 0.15 0.46 0.00 -1.84 -0.53 0.00 0.00 176.83 175.07 1tkv n GLU 60 N -4.65 1.83 -0.98 2.24 0.28 -1.18 -4.95 120.64 113.22 1tkv n GLU 60 Ca -0.00 -0.97 -0.35 0.00 -0.16 0.00 0.00 57.16 55.68 1tkv n GLU 60 Cb 0.01 -1.37 0.07 0.00 1.43 0.00 0.00 31.44 31.57 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 0.24 -2.84 -4.92 -1.84 4.77 -1.26 -5.01 117.00 106.13 1tkv n LEU 61 Ca 0.09 0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 56.13 1tkv n LEU 61 Cb 0.33 -0.99 0.08 0.00 -2.33 0.00 0.00 43.42 40.51 1tkv n LEU 61 CO 0.07 -4.69 0.68 0.42 -1.33 0.00 0.00 177.39 172.54 1tkv s THR 62 N -2.13 2.18 0.10 -5.08 -4.23 -1.26 -4.94 115.64 100.28 1tkv s THR 62 Ca 0.51 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.64 1tkv s THR 62 Cb -0.24 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 1tkv s THR 62 CO 0.73 0.00 1.60 1.56 -0.54 0.00 0.00 174.62 177.97 1tkv h GLN 63 N -0.79 0.43 -0.55 3.99 4.20 -1.99 -2.63 115.11 117.76 1tkv h GLN 63 Ca -0.44 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1tkv h GLN 63 Cb 1.31 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1tkv h GLN 63 CO 0.59 0.51 0.34 0.93 -0.67 0.00 0.00 178.83 180.54 1tkv h GLU 64 N 0.27 0.73 -0.86 1.46 4.39 -1.95 0.40 114.58 119.02 1tkv h GLU 64 Ca 0.09 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1tkv h GLU 64 Cb 0.27 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1tkv h GLU 64 CO -0.00 0.50 0.47 -0.44 -1.16 0.00 0.00 179.01 178.38 1tkv h ASP 65 N 0.75 1.09 -0.07 1.42 3.32 -1.92 0.30 116.42 121.31 1tkv h ASP 65 Ca 0.20 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 1tkv h ASP 65 Cb -0.05 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.23 1tkv h ASP 65 CO -0.04 0.88 -0.52 0.11 -1.72 0.00 0.00 179.24 177.95 1tkv h LYS 66 N 1.21 0.48 0.00 3.56 1.57 -1.00 -2.84 116.57 119.55 1tkv h LYS 66 Ca 0.30 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1tkv h LYS 66 Cb 0.04 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1tkv h LYS 66 CO -0.05 1.05 0.00 1.63 -0.57 0.00 0.00 179.45 181.52 1tkv n LYS 67 N -4.24 0.02 -0.03 3.15 4.76 0.14 -0.49 118.16 121.46 1tkv n LYS 67 Ca -0.09 0.23 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1tkv n LYS 67 Cb 0.61 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1tkv n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1tkv h THR 68 N 0.00 0.00 -0.90 -0.18 2.02 -0.76 -3.09 112.91 110.01 1tkv h THR 68 Ca 0.00 -0.81 0.20 0.00 0.77 0.00 0.00 66.41 66.57 1tkv h THR 68 Cb 0.26 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1tkv h THR 68 CO 0.00 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.41 1tkv h LEU 69 N -0.84 0.44 -1.12 2.58 3.38 -1.27 -1.04 115.31 117.43 1tkv h LEU 69 Ca -0.00 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1tkv h LEU 69 Cb 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1tkv h LEU 69 CO 0.01 0.18 0.60 0.40 0.09 0.00 0.00 178.44 179.71 1tkv h ILE 70 N 0.44 1.16 -0.39 1.22 2.04 -0.92 0.17 117.51 121.22 1tkv h ILE 70 Ca 0.47 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 1tkv h ILE 70 Cb 1.11 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1tkv h ILE 70 CO -0.19 0.21 -0.30 0.44 0.00 0.00 0.00 178.15 178.31 1tkv h ASP 71 N 1.14 0.90 0.25 1.72 3.32 -1.13 -3.24 116.42 119.38 1tkv h ASP 71 Ca 0.36 -0.37 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 1tkv h ASP 71 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1tkv h ASP 71 CO -0.11 1.13 -1.80 -0.33 -1.72 0.00 0.00 179.24 176.41 1tkv h GLU 72 N 0.73 0.28 -2.36 3.56 5.08 -1.10 -3.37 114.58 117.39 1tkv h GLU 72 Ca 0.08 -0.48 -0.67 0.00 -1.00 0.00 0.00 59.36 57.29 1tkv h GLU 72 Cb 0.86 0.18 -0.37 0.00 0.50 0.00 0.00 28.75 29.91 1tkv h GLU 72 CO 0.08 1.16 -0.08 1.19 -1.00 0.00 0.00 179.01 180.35 1tkv n PHE 73 N -3.47 3.37 0.00 4.33 3.01 0.56 -4.97 117.46 120.29 1tkv n PHE 73 Ca -0.25 -3.55 0.00 0.00 1.01 0.00 0.00 57.45 54.66 1tkv n PHE 73 Cb 1.06 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1tkv n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tkv n ASN 74 N 0.45 0.00 0.02 4.37 4.13 -1.22 -0.93 115.26 122.08 1tkv n ASN 74 Ca 0.32 0.94 -0.19 0.00 1.68 0.00 0.00 54.58 57.33 1tkv n ASN 74 Cb 0.36 -0.44 -0.10 0.00 -1.54 0.00 0.00 39.78 38.07 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1tkv h GLU 75 N 0.00 0.69 -0.35 3.52 4.22 -1.93 -3.13 114.58 117.59 1tkv h GLU 75 Ca 0.00 -0.70 0.00 0.00 0.08 0.00 0.00 59.36 58.75 1tkv h GLU 75 Cb 0.00 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1tkv h GLU 75 CO 0.00 1.28 0.23 0.78 -2.18 0.00 0.00 179.01 179.12 1tkv h GLY 76 N 0.36 0.50 1.95 1.92 0.00 -1.96 -2.97 103.07 102.87 1tkv h GLY 76 Ca -0.11 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 46.83 1tkv h GLY 76 CO 0.18 0.19 -0.92 -2.75 0.00 0.00 0.00 176.54 173.24 1tkv h PHE 77 N 0.47 0.07 -0.47 5.60 3.04 -1.18 -1.81 116.94 122.66 1tkv h PHE 77 Ca 0.13 -0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.10 1tkv h PHE 77 Cb -0.04 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 38.38 1tkv h PHE 77 CO -0.05 0.94 -0.50 0.93 -2.02 0.00 0.00 178.31 177.61 1tkv h GLU 78 N 0.02 -0.32 0.40 1.11 5.08 -1.46 0.16 114.58 119.57 1tkv h GLU 78 Ca -0.02 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1tkv h GLU 78 Cb 1.61 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1tkv h GLU 78 CO 0.13 -0.21 -0.19 0.78 -1.00 0.00 0.00 179.01 178.51 1tkv h GLY 79 N -0.33 -0.56 2.00 -3.84 0.00 -1.51 -3.19 103.07 95.65 1tkv h GLY 79 Ca 0.12 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1tkv h GLY 79 CO -0.63 -0.20 -0.15 -0.39 0.00 0.00 0.00 176.54 175.17 1tkv h VAL 80 N -1.02 0.37 -0.36 4.60 -1.51 -1.36 -2.80 116.25 114.17 1tkv h VAL 80 Ca -0.05 -0.92 -0.14 0.00 -1.23 0.00 0.00 66.70 64.36 1tkv h VAL 80 Cb 0.53 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1tkv h VAL 80 CO 0.09 0.14 -0.31 0.22 -1.23 0.00 0.00 177.57 176.49 1tkv h TYR 81 N 0.00 0.99 -0.91 5.19 3.20 -1.07 -0.87 116.97 123.51 1tkv h TYR 81 Ca -0.00 -0.29 0.20 0.00 3.14 0.00 0.00 58.73 61.78 1tkv h TYR 81 Cb 0.67 -0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.61 1tkv h TYR 81 CO 0.00 1.07 0.46 0.00 -1.64 0.00 0.00 178.16 178.05 1tkv h ARG 82 N 0.63 0.51 0.29 1.82 2.47 -1.48 0.12 114.38 118.74 1tkv h ARG 82 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1tkv h ARG 82 Cb 0.89 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1tkv h ARG 82 CO 0.08 0.34 -0.14 1.88 0.56 0.00 0.00 179.97 182.69 1tkv h TYR 83 N 0.52 -0.36 -0.68 3.04 -1.99 -1.51 -1.62 116.97 114.37 1tkv h TYR 83 Ca 0.55 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1tkv h TYR 83 Cb 0.96 0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.78 1tkv h TYR 83 CO -0.09 -0.01 0.43 -0.07 -0.00 0.00 0.00 178.16 178.42 1tkv h LEU 84 N -0.87 0.80 0.73 3.88 3.38 -0.78 -2.47 115.31 119.97 1tkv h LEU 84 Ca -0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1tkv h LEU 84 Cb 0.52 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1tkv h LEU 84 CO 0.07 0.59 -0.35 -0.08 0.09 0.00 0.00 178.44 178.76 1tkv h GLU 85 N 0.93 -0.94 -0.48 1.13 4.22 -0.65 -3.24 114.58 115.55 1tkv h GLU 85 Ca 0.25 0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.83 1tkv h GLU 85 Cb -0.08 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1tkv h GLU 85 CO -0.05 -0.61 0.32 0.00 -2.18 0.00 0.00 179.01 176.49 1tkv h MET 86 N -1.21 0.33 0.00 1.92 -0.00 -1.22 -2.41 114.93 112.34 1tkv h MET 86 Ca -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1tkv h MET 86 Cb 0.76 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1tkv h MET 86 CO 0.16 0.22 0.00 0.66 -0.00 0.00 0.00 176.91 177.95 1tkv n TYR 87 N -4.47 0.47 -2.67 -0.10 4.01 -0.94 -3.53 117.16 109.94 1tkv n TYR 87 Ca 0.07 0.14 -0.17 0.00 -0.16 0.00 0.00 57.90 57.78 1tkv n TYR 87 Cb 0.30 -0.74 0.01 0.00 -0.31 0.00 0.00 39.34 38.61 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 -1.89 1.49 -3.35 -0.72 5.66 -0.91 -3.63 114.28 110.92 1tkv n THR 88 Ca 0.06 -4.02 -0.41 0.00 -3.05 0.00 0.00 64.05 56.63 1tkv n THR 88 Cb 0.36 -0.22 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 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 -3.22 6.22 0.00 1.09 0.02 -1.22 -4.94 114.94 112.90 1tkv s ASN 89 Ca 0.37 -0.19 0.29 0.00 -1.02 0.00 0.00 52.86 52.31 1tkv s ASN 89 Cb 0.42 -2.22 1.37 0.00 0.02 0.00 0.00 41.25 40.83 1tkv s ASN 89 CO -0.06 -0.40 1.92 0.29 0.02 0.00 0.00 177.10 178.87