#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 2.55 0.03 3.52 1.02 -1.26 -4.85 119.74 120.75 1tkv s LYS 3 Ca 0.00 -1.52 -0.25 0.00 0.02 0.00 0.00 55.97 54.22 1tkv s LYS 3 Cb 0.00 -2.52 -0.17 0.00 -0.52 0.00 0.00 37.83 34.61 1tkv s LYS 3 CO 0.00 -0.40 1.48 -0.91 -0.92 0.00 0.00 175.35 174.60 1tkv h ASN 4 N 0.70 -0.08 -0.68 2.83 2.35 -1.96 -2.73 115.58 116.02 1tkv h ASN 4 Ca -0.38 -0.21 0.15 0.00 -0.55 0.00 0.00 56.30 55.30 1tkv h ASN 4 Cb 1.28 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 39.56 1tkv h ASN 4 CO 0.50 0.17 0.05 -0.29 -1.65 0.00 0.00 177.43 176.21 1tkv h ILE 5 N -0.33 0.47 0.20 2.81 2.10 -1.94 -0.62 117.51 120.20 1tkv h ILE 5 Ca -0.01 -0.05 0.01 0.00 1.08 0.00 0.00 64.86 65.89 1tkv h ILE 5 Cb 0.29 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 36.29 1tkv h ILE 5 CO 0.02 0.03 -0.26 0.44 -1.08 0.00 0.00 178.15 177.30 1tkv h ASP 6 N 0.16 -0.71 0.37 2.19 3.32 -1.93 0.18 116.42 120.01 1tkv h ASP 6 Ca 0.37 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.41 1tkv h ASP 6 Cb 0.62 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1tkv h ASP 6 CO -0.55 -0.36 -0.36 0.74 -1.72 0.00 0.00 179.24 176.99 1tkv h THR 7 N -0.51 1.25 -0.36 0.35 2.02 -1.34 -2.51 112.91 111.82 1tkv h THR 7 Ca 0.01 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 1tkv h THR 7 Cb 0.50 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1tkv h THR 7 CO -0.10 0.35 0.19 0.58 0.37 0.00 0.00 175.52 176.92 1tkv h VAL 8 N 0.00 1.15 -0.17 3.16 2.07 -0.61 -2.62 116.25 119.23 1tkv h VAL 8 Ca -0.00 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1tkv h VAL 8 Cb 0.64 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1tkv h VAL 8 CO 0.05 0.15 -0.30 -0.09 0.02 0.00 0.00 177.57 177.40 1tkv h ARG 9 N 0.45 -0.34 0.00 1.57 2.43 -0.35 0.11 114.38 118.25 1tkv h ARG 9 Ca 0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1tkv h ARG 9 Cb 0.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1tkv h ARG 9 CO -0.02 -0.23 0.00 1.05 -1.51 0.00 0.00 179.97 179.26 1tkv h GLU 10 N -0.36 0.00 0.19 0.20 4.11 -1.46 -2.71 114.58 114.55 1tkv h GLU 10 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.23 1tkv h GLU 10 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1tkv h GLU 10 CO -0.37 0.00 -1.36 0.82 0.07 0.00 0.00 179.01 178.17 1tkv h ILE 11 N 0.00 1.39 -0.87 -1.06 2.04 -0.96 -3.17 117.51 114.88 1tkv h ILE 11 Ca 0.00 -2.89 0.15 0.00 1.00 0.00 0.00 64.86 63.12 1tkv h ILE 11 Cb 0.58 2.99 -0.10 0.00 -0.74 0.00 0.00 36.82 39.55 1tkv h ILE 11 CO 0.00 0.86 0.47 0.40 0.00 0.00 0.00 178.15 179.87 1tkv h ILE 12 N 0.11 0.73 0.24 -0.67 2.04 -0.50 0.32 117.51 119.78 1tkv h ILE 12 Ca -0.19 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1tkv h ILE 12 Cb 2.07 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1tkv h ILE 12 CO 0.24 0.12 -0.12 0.71 0.00 0.00 0.00 178.15 179.10 1tkv h THR 13 N 0.65 0.79 -0.71 -0.27 1.35 -1.57 -1.71 112.91 111.45 1tkv h THR 13 Ca 0.48 -0.73 0.15 0.00 -0.55 0.00 0.00 66.41 65.76 1tkv h THR 13 Cb 0.68 1.18 -0.10 0.00 -1.73 0.00 0.00 68.15 68.18 1tkv h THR 13 CO -0.36 0.15 0.17 0.58 -0.25 0.00 0.00 175.52 175.80 1tkv h VAL 14 N -0.73 0.54 -0.60 6.82 2.07 -1.49 -2.50 116.25 120.36 1tkv h VAL 14 Ca -0.03 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1tkv h VAL 14 Cb 0.49 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1tkv h VAL 14 CO 0.05 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.77 1tkv h ALA 15 N 1.58 1.01 0.00 1.67 0.00 -0.28 -1.88 119.26 121.36 1tkv h ALA 15 Ca 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1tkv h ALA 15 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1tkv h ALA 15 CO -0.49 0.63 -0.02 0.66 0.00 0.00 0.00 179.25 180.03 1tkv h SER 16 N 0.92 0.00 -0.17 0.00 4.64 -0.89 -2.81 113.55 115.24 1tkv h SER 16 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1tkv h SER 16 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1tkv h SER 16 CO 0.01 0.02 -0.05 0.40 -0.87 0.00 0.00 176.83 176.34 1tkv h ILE 17 N 0.00 1.29 -0.48 0.95 1.08 -0.93 -1.48 117.51 117.94 1tkv h ILE 17 Ca -0.00 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1tkv h ILE 17 Cb 0.30 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1tkv h ILE 17 CO 0.00 0.31 0.28 -0.07 -0.69 0.00 0.00 178.15 177.99 1tkv h LEU 18 N 0.04 0.57 -0.80 1.44 4.07 -1.39 -0.73 115.31 118.51 1tkv h LEU 18 Ca 0.04 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1tkv h LEU 18 Cb 0.50 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1tkv h LEU 18 CO 0.02 0.45 -0.46 0.40 -1.08 0.00 0.00 178.44 177.77 1tkv h ILE 19 N 0.66 1.03 -0.22 1.22 2.04 -1.38 0.40 117.51 121.26 1tkv h ILE 19 Ca 0.17 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.18 1tkv h ILE 19 Cb -0.01 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1tkv h ILE 19 CO -0.03 0.45 -0.30 0.50 0.00 0.00 0.00 178.15 178.77 1tkv h LYS 20 N 0.00 0.43 -0.52 2.37 3.64 -0.11 -3.03 116.57 119.35 1tkv h LYS 20 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1tkv h LYS 20 Cb 1.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1tkv h LYS 20 CO 0.06 0.69 0.00 1.19 -2.27 0.00 0.00 179.45 179.12 1tkv n PHE 21 N -4.10 0.69 -0.99 1.91 3.72 -0.41 -4.95 117.46 113.33 1tkv n PHE 21 Ca -0.01 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1tkv n PHE 21 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.20 -3.56 -2.27 4.37 2.88 -0.34 -4.92 113.62 110.98 1tkv n SER 22 Ca 0.19 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.47 1tkv n SER 22 Cb 0.50 -1.27 0.02 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.92 2.27 0.31 -1.46 5.12 0.12 -4.63 116.66 116.47 1tkv n ARG 23 Ca 0.00 -2.39 0.19 0.00 -1.93 0.00 0.00 57.85 53.73 1tkv n ARG 23 Cb 0.13 -1.98 0.98 0.00 -1.16 0.00 0.00 32.46 30.42 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 2.18 0.00 -0.98 5.56 -0.00 -1.91 -2.81 114.58 116.61 1tkv h GLU 24 Ca 0.42 0.00 0.30 0.00 -0.00 0.00 0.00 59.36 60.08 1tkv h GLU 24 Cb 0.74 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 29.34 1tkv h GLU 24 CO 1.06 0.02 0.52 -0.44 -0.00 0.00 0.00 179.01 180.17 1tkv h ASP 25 N 0.00 0.45 -0.36 3.06 3.32 -1.95 0.17 116.42 121.11 1tkv h ASP 25 Ca -0.00 0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 1tkv h ASP 25 Cb 0.19 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1tkv h ASP 25 CO 0.00 -0.12 -0.21 0.40 -1.72 0.00 0.00 179.24 177.59 1tkv h ILE 26 N 0.33 1.29 -0.53 0.35 2.04 -1.84 -2.91 117.51 116.23 1tkv h ILE 26 Ca 0.70 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1tkv h ILE 26 Cb 1.55 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 1tkv h ILE 26 CO -0.60 0.44 0.03 0.58 0.00 0.00 0.00 178.15 178.60 1tkv h VAL 27 N 0.56 1.25 0.00 1.67 2.07 -1.32 -3.15 116.25 117.33 1tkv h VAL 27 Ca 0.07 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1tkv h VAL 27 Cb 0.77 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1tkv h VAL 27 CO 0.06 0.37 -0.03 -0.08 0.02 0.00 0.00 177.57 177.91 1tkv h GLU 28 N 0.83 0.00 -4.56 1.57 4.81 -0.60 -3.39 114.58 113.23 1tkv h GLU 28 Ca 0.16 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.69 1tkv h GLU 28 Cb 0.46 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.53 1tkv h GLU 28 CO 0.02 0.03 -0.56 1.21 -0.73 0.00 0.00 179.01 178.98 1tkv s ASN 29 N -5.76 5.33 0.19 1.04 3.84 -1.11 -4.84 114.94 113.64 1tkv s ASN 29 Ca 0.01 -1.52 -0.23 0.00 0.21 0.00 0.00 52.86 51.33 1tkv s ASN 29 Cb 0.09 -1.87 0.10 0.00 -0.55 0.00 0.00 41.25 39.02 1tkv s ASN 29 CO 0.55 -0.44 1.56 -0.09 -2.79 0.00 0.00 177.10 175.89 1tkv h ARG 30 N 8.20 -0.09 0.08 0.43 2.43 -1.77 -0.78 114.38 122.89 1tkv h ARG 30 Ca -0.20 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1tkv h ARG 30 Cb 1.07 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1tkv h ARG 30 CO 0.67 -0.06 -0.04 0.00 -1.51 0.00 0.00 179.97 179.03 1tkv h ALA 31 N 0.92 -0.11 -1.00 2.80 0.00 -1.93 -2.54 119.26 117.40 1tkv h ALA 31 Ca 0.25 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1tkv h ALA 31 Cb 0.55 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1tkv h ALA 31 CO -0.85 -0.35 0.67 -0.91 0.00 0.00 0.00 179.25 177.80 1tkv h ASN 32 N -0.53 0.32 0.14 0.00 -0.26 -1.85 0.53 115.58 113.93 1tkv h ASN 32 Ca -0.01 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1tkv h ASN 32 Cb 0.45 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1tkv h ASN 32 CO 0.02 0.09 -0.07 0.15 -1.06 0.00 0.00 177.43 176.56 1tkv h PHE 33 N 0.30 -0.18 -0.96 1.19 3.57 -0.99 -1.25 116.94 118.62 1tkv h PHE 33 Ca 0.53 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.08 1tkv h PHE 33 Cb 1.53 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 1tkv h PHE 33 CO -0.00 0.00 0.63 0.82 -2.23 0.00 0.00 178.31 177.53 1tkv h ILE 34 N -0.32 1.13 -0.72 1.41 2.04 -0.85 0.34 117.51 120.54 1tkv h ILE 34 Ca -0.02 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1tkv h ILE 34 Cb 0.26 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 1tkv h ILE 34 CO 0.03 0.21 0.36 0.00 0.00 0.00 0.00 178.15 178.75 1tkv h ALA 35 N 1.46 1.29 -0.40 1.87 0.00 -0.94 -2.05 119.26 120.49 1tkv h ALA 35 Ca 0.39 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1tkv h ALA 35 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1tkv h ALA 35 CO -0.13 0.56 -0.35 0.35 0.00 0.00 0.00 179.25 179.68 1tkv h PHE 36 N 1.01 1.09 -0.30 0.00 3.57 0.07 -0.32 116.94 122.06 1tkv h PHE 36 Ca 0.25 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 61.49 1tkv h PHE 36 Cb 0.08 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1tkv h PHE 36 CO 0.01 1.13 0.01 -0.07 -2.23 0.00 0.00 178.31 177.16 1tkv h LEU 37 N 0.76 -0.10 -0.78 0.59 3.38 -0.09 -1.33 115.31 117.75 1tkv h LEU 37 Ca 0.07 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1tkv h LEU 37 Cb 0.93 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1tkv h LEU 37 CO 0.09 -0.01 -0.56 0.78 0.09 0.00 0.00 178.44 178.82 1tkv h ASN 38 N 0.10 0.17 0.15 -0.43 2.35 -1.27 0.82 115.58 117.47 1tkv h ASN 38 Ca 0.15 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1tkv h ASN 38 Cb 0.19 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1tkv h ASN 38 CO -0.24 0.69 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.54 1tkv h GLU 39 N 0.11 -0.60 0.00 0.81 4.39 -0.73 -3.19 114.58 115.37 1tkv h GLU 39 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1tkv h GLU 39 Cb 1.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1tkv h GLU 39 CO 0.08 -0.40 -0.34 -0.84 -1.16 0.00 0.00 179.01 176.36 1tkv h ILE 40 N -0.62 0.00 -0.57 3.13 -2.65 -1.19 -3.48 117.51 112.14 1tkv h ILE 40 Ca 0.02 -0.59 0.00 0.00 1.03 0.00 0.00 64.86 65.32 1tkv h ILE 40 Cb 0.64 1.38 0.00 0.00 -2.05 0.00 0.00 36.82 36.79 1tkv h ILE 40 CO -0.20 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.59 1tkv n GLY 41 N 1.28 0.84 3.56 0.16 0.00 -0.23 -5.04 105.19 105.77 1tkv n GLY 41 Ca 0.04 -0.28 -0.43 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 -2.29 4.34 -0.13 1.61 1.01 0.12 -5.00 120.40 120.06 1tkv s VAL 42 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.73 1tkv s VAL 42 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1tkv s VAL 42 CO 0.00 -1.01 -0.21 0.42 0.00 0.00 0.00 175.10 174.30 1tkv s THR 43 N 4.09 2.20 0.00 3.92 -4.23 -1.26 -4.53 115.64 115.83 1tkv s THR 43 Ca 0.38 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1tkv s THR 43 Cb -0.10 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1tkv s THR 43 CO 0.25 0.55 0.59 1.57 -0.54 0.00 0.00 174.62 177.04 1tkv n HIS 44 N 3.86 0.00 -1.60 3.99 -0.00 -1.25 -3.86 115.22 116.36 1tkv n HIS 44 Ca -0.19 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.66 1tkv n HIS 44 Cb 0.52 -0.45 0.06 0.00 -0.12 0.00 0.00 29.99 30.00 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 -1.84 2.92 -1.82 1.57 1.02 -1.26 -3.81 120.64 117.42 1tkv n GLU 45 Ca 0.00 -3.55 -0.19 0.00 -0.02 0.00 0.00 57.16 53.40 1tkv n GLU 45 Cb 0.00 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.08 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 -0.81 1.09 3.73 0.62 0.00 -1.25 -5.01 105.19 103.56 1tkv n GLY 46 Ca 0.57 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.06 2.17 0.26 1.61 1.81 -1.26 -5.06 118.95 114.43 1tkv s ARG 47 Ca 0.00 -2.39 -0.29 0.00 -1.72 0.00 0.00 55.73 51.33 1tkv s ARG 47 Cb 0.00 -1.36 -0.09 0.00 -0.45 0.00 0.00 34.95 33.05 1tkv s ARG 47 CO 0.00 -0.41 1.20 0.15 -0.68 0.00 0.00 175.30 175.56 1tkv s LYS 48 N -3.85 4.51 -0.27 3.54 -0.14 -1.26 -3.91 119.74 118.36 1tkv s LYS 48 Ca 0.07 1.96 -0.11 0.00 -1.36 0.00 0.00 55.97 56.52 1tkv s LYS 48 Cb 0.01 -3.17 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1tkv s LYS 48 CO 0.04 -0.01 0.20 -1.17 -0.76 0.00 0.00 175.35 173.65 1tkv s LEU 49 N -1.14 4.04 0.48 3.17 0.20 -1.26 -4.90 118.68 119.27 1tkv s LEU 49 Ca 0.49 0.04 0.03 0.00 0.69 0.00 0.00 54.13 55.38 1tkv s LEU 49 Cb -0.35 -2.14 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 1tkv s LEU 49 CO 0.43 -0.03 0.67 0.20 -0.29 0.00 0.00 176.35 177.33 1tkv s ASN 50 N 1.59 5.54 0.09 3.68 0.01 -1.26 -4.86 114.94 119.73 1tkv s ASN 50 Ca 0.08 -0.08 -0.13 0.00 -0.71 0.00 0.00 52.86 52.01 1tkv s ASN 50 Cb -0.15 -0.97 -0.19 0.00 0.41 0.00 0.00 41.25 40.35 1tkv s ASN 50 CO 0.09 -0.89 1.26 -0.61 -1.51 0.00 0.00 177.10 175.44 1tkv h GLN 51 N 0.36 0.76 0.15 -0.60 4.15 -1.97 0.27 115.11 118.23 1tkv h GLN 51 Ca -0.43 -0.70 -0.01 0.00 0.77 0.00 0.00 58.65 58.29 1tkv h GLN 51 Cb 1.28 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1tkv h GLN 51 CO 0.51 1.29 -0.07 -2.95 -1.93 0.00 0.00 178.83 175.68 1tkv h ASN 52 N 0.48 -0.17 0.57 -0.69 7.08 -2.01 -3.07 115.58 117.78 1tkv h ASN 52 Ca -0.09 -0.30 0.00 0.00 -3.08 0.00 0.00 56.30 52.84 1tkv h ASN 52 Cb 1.53 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.81 1tkv h ASN 52 CO 0.18 0.23 0.00 0.28 -2.08 0.00 0.00 177.43 176.04 1tkv h SER 53 N -0.59 0.00 0.03 6.14 0.02 -1.96 -2.57 113.55 114.62 1tkv h SER 53 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1tkv h SER 53 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1tkv h SER 53 CO 0.03 0.00 -0.01 0.15 -1.14 0.00 0.00 176.83 175.86 1tkv h PHE 54 N 0.00 -0.03 -0.03 3.45 3.57 -0.95 -3.04 116.94 119.91 1tkv h PHE 54 Ca 0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1tkv h PHE 54 Cb 0.29 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1tkv h PHE 54 CO 0.00 0.40 -0.21 0.00 -2.23 0.00 0.00 178.31 176.27 1tkv h ARG 55 N -0.48 0.05 0.00 1.11 3.08 -1.37 -0.91 114.38 115.86 1tkv h ARG 55 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1tkv h ARG 55 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1tkv h ARG 55 CO 0.01 0.26 -0.27 1.57 -1.07 0.00 0.00 179.97 180.47 1tkv h LYS 56 N 0.05 0.00 0.23 0.04 2.10 -1.58 -1.32 116.57 116.09 1tkv h LYS 56 Ca 0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1tkv h LYS 56 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1tkv h LYS 56 CO 0.03 0.27 -0.11 -0.84 -2.00 0.00 0.00 179.45 176.79 1tkv h ILE 57 N 0.00 0.83 -0.08 0.07 3.07 -1.05 -3.32 117.51 117.03 1tkv h ILE 57 Ca -0.00 -0.67 -0.23 0.00 1.55 0.00 0.00 64.86 65.50 1tkv h ILE 57 Cb 0.50 1.20 0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1tkv h ILE 57 CO 0.03 0.14 -0.86 -0.37 -1.05 0.00 0.00 178.15 176.04 1tkv h VAL 58 N -0.67 1.29 -0.02 0.16 -1.51 -1.47 -3.39 116.25 110.64 1tkv h VAL 58 Ca -0.03 -2.08 -0.14 0.00 -1.23 0.00 0.00 66.70 63.22 1tkv h VAL 58 Cb 0.47 2.19 0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1tkv h VAL 58 CO 0.05 0.65 -0.54 0.28 -1.23 0.00 0.00 177.57 176.78 1tkv h SER 59 N 0.42 0.50 -0.48 4.19 0.02 -1.41 -3.36 113.55 113.44 1tkv h SER 59 Ca -0.09 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1tkv h SER 59 Cb 1.51 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1tkv h SER 59 CO 0.17 1.17 0.00 -1.84 -1.14 0.00 0.00 176.83 175.20 1tkv n GLU 60 N -4.26 2.37 -1.57 3.45 0.28 -1.25 -4.93 120.64 114.72 1tkv n GLU 60 Ca -0.10 -1.83 -0.44 0.00 -0.16 0.00 0.00 57.16 54.63 1tkv n GLU 60 Cb 0.64 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 32.02 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 0.87 1.64 -4.97 -1.84 4.77 -1.26 -5.00 117.00 111.20 1tkv n LEU 61 Ca 0.17 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 57.02 1tkv n LEU 61 Cb 0.49 -1.27 0.15 0.00 -2.33 0.00 0.00 43.42 40.46 1tkv n LEU 61 CO 0.13 -1.59 0.70 0.42 -1.33 0.00 0.00 177.39 175.71 1tkv s THR 62 N -1.12 2.05 0.09 -5.08 -4.23 -1.26 -4.91 115.64 101.18 1tkv s THR 62 Ca 0.60 -0.34 -0.19 0.00 -1.18 0.00 0.00 61.69 60.57 1tkv s THR 62 Cb -0.68 -2.71 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 1tkv s THR 62 CO 0.59 0.00 1.60 1.56 -0.54 0.00 0.00 174.62 177.83 1tkv h GLN 63 N -1.04 0.36 -1.00 3.99 4.20 -1.98 -2.64 115.11 117.00 1tkv h GLN 63 Ca -0.39 -0.08 0.29 0.00 0.06 0.00 0.00 58.65 58.53 1tkv h GLN 63 Cb 1.25 -0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.84 1tkv h GLN 63 CO 0.38 0.46 0.57 0.93 -0.67 0.00 0.00 178.83 180.50 1tkv h GLU 64 N 0.20 0.41 -0.23 1.46 3.07 -1.97 0.48 114.58 118.00 1tkv h GLU 64 Ca 0.07 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.74 1tkv h GLU 64 Cb 0.25 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1tkv h GLU 64 CO -0.00 0.27 -0.56 -0.44 -1.40 0.00 0.00 179.01 176.88 1tkv h ASP 65 N 0.42 0.77 1.02 1.42 3.32 -1.91 -2.14 116.42 119.33 1tkv h ASP 65 Ca 0.70 -0.42 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 1tkv h ASP 65 Cb 1.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1tkv h ASP 65 CO -0.56 1.17 -1.02 0.11 -1.72 0.00 0.00 179.24 177.22 1tkv h LYS 66 N 0.53 0.00 -0.45 3.56 1.57 -0.89 -2.87 116.57 118.02 1tkv h LYS 66 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1tkv h LYS 66 Cb 1.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1tkv h LYS 66 CO 0.11 0.70 0.22 -0.22 -0.57 0.00 0.00 179.45 179.69 1tkv h LYS 67 N 0.00 0.65 -0.97 3.15 1.63 -0.12 0.78 116.57 121.68 1tkv h LYS 67 Ca -0.07 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1tkv h LYS 67 Cb 1.68 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 33.12 1tkv h LYS 67 CO 0.09 0.55 0.63 1.15 -3.45 0.00 0.00 179.45 178.42 1tkv h THR 68 N 0.59 1.03 -0.09 1.00 2.02 -1.39 0.12 112.91 116.19 1tkv h THR 68 Ca 0.16 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 1tkv h THR 68 Cb 0.12 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1tkv h THR 68 CO -0.02 0.20 -0.82 -0.07 0.37 0.00 0.00 175.52 175.18 1tkv h LEU 69 N 1.08 0.75 -0.93 2.58 3.38 -1.20 -3.00 115.31 117.97 1tkv h LEU 69 Ca 0.44 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1tkv h LEU 69 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1tkv h LEU 69 CO -0.19 1.30 0.22 0.40 0.09 0.00 0.00 178.44 180.26 1tkv h ILE 70 N 0.40 1.24 -0.18 1.22 2.04 -0.37 -1.58 117.51 120.28 1tkv h ILE 70 Ca -0.06 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1tkv h ILE 70 Cb 1.44 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1tkv h ILE 70 CO 0.16 0.32 0.12 0.44 0.00 0.00 0.00 178.15 179.18 1tkv h ASP 71 N 0.98 0.21 0.50 1.72 3.32 -0.82 -3.37 116.42 118.96 1tkv h ASP 71 Ca 0.22 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1tkv h ASP 71 Cb 0.25 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1tkv h ASP 71 CO -0.01 0.16 -1.51 -0.62 -1.72 0.00 0.00 179.24 175.55 1tkv n GLU 72 N -4.95 0.63 -3.18 3.56 -0.58 -1.13 -4.59 120.64 110.40 1tkv n GLU 72 Ca -0.04 -0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.44 1tkv n GLU 72 Cb 0.03 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.18 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1tkv n PHE 73 N -2.48 1.11 0.00 -0.32 3.72 -0.61 -5.02 117.46 113.87 1tkv n PHE 73 Ca -0.02 -3.81 0.00 0.00 -0.05 0.00 0.00 57.45 53.56 1tkv n PHE 73 Cb 0.57 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.62 0.00 -0.11 4.37 3.02 -1.26 -1.08 115.26 120.82 1tkv n ASN 74 Ca 0.25 0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 55.58 1tkv n ASN 74 Cb 0.54 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tkv h GLU 75 N 0.00 0.72 -0.37 3.52 5.08 -1.95 -3.18 114.58 118.40 1tkv h GLU 75 Ca 0.00 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1tkv h GLU 75 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1tkv h GLU 75 CO 0.00 0.96 -0.02 0.78 -1.00 0.00 0.00 179.01 179.73 1tkv h GLY 76 N 0.48 0.71 0.85 -3.84 0.00 -1.97 -3.11 103.07 96.20 1tkv h GLY 76 Ca 0.06 -0.54 -0.18 0.00 0.00 0.00 0.00 47.33 46.67 1tkv h GLY 76 CO 0.06 0.50 -0.71 -2.75 0.00 0.00 0.00 176.54 173.64 1tkv h PHE 77 N 0.47 0.68 -0.65 5.60 3.04 -1.25 -3.09 116.94 121.75 1tkv h PHE 77 Ca 0.10 -0.38 0.14 0.00 3.98 0.00 0.00 57.97 61.81 1tkv h PHE 77 Cb 0.49 -0.07 -0.11 0.00 2.56 0.00 0.00 35.95 38.82 1tkv h PHE 77 CO 0.04 1.21 0.02 0.93 -2.02 0.00 0.00 178.31 178.49 1tkv h GLU 78 N -0.04 0.12 0.66 1.11 5.08 -1.53 0.30 114.58 120.28 1tkv h GLU 78 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1tkv h GLU 78 Cb 1.42 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1tkv h GLU 78 CO 0.14 0.08 -0.32 0.78 -1.00 0.00 0.00 179.01 178.69 1tkv h GLY 79 N 0.13 -0.93 2.00 -3.84 0.00 -1.67 -3.17 103.07 95.59 1tkv h GLY 79 Ca 0.34 0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.97 1tkv h GLY 79 CO -0.54 -0.34 -0.23 -0.39 0.00 0.00 0.00 176.54 175.03 1tkv h VAL 80 N -1.22 0.86 -0.37 4.60 -1.51 -1.39 -2.83 116.25 114.40 1tkv h VAL 80 Ca -0.09 -0.91 -0.10 0.00 -1.23 0.00 0.00 66.70 64.37 1tkv h VAL 80 Cb 0.69 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1tkv h VAL 80 CO 0.15 0.23 -0.15 0.22 -1.23 0.00 0.00 177.57 176.78 1tkv h TYR 81 N 0.00 0.87 -0.82 5.19 3.20 -0.52 -0.05 116.97 124.84 1tkv h TYR 81 Ca -0.00 -0.21 0.20 0.00 3.14 0.00 0.00 58.73 61.86 1tkv h TYR 81 Cb 0.52 -0.20 -0.13 0.00 1.54 0.00 0.00 36.73 38.46 1tkv h TYR 81 CO 0.00 0.93 0.19 0.00 -1.64 0.00 0.00 178.16 177.65 1tkv h ARG 82 N 0.55 0.22 0.37 1.82 2.47 -1.46 0.24 114.38 118.59 1tkv h ARG 82 Ca 0.09 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1tkv h ARG 82 Cb 0.69 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1tkv h ARG 82 CO 0.05 0.14 -0.18 1.88 0.56 0.00 0.00 179.97 182.42 1tkv h TYR 83 N 0.22 -0.46 -0.38 3.04 -1.99 -1.46 -2.10 116.97 113.85 1tkv h TYR 83 Ca 0.49 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.30 1tkv h TYR 83 Cb 0.93 0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.79 1tkv h TYR 83 CO -0.28 -0.18 0.26 -0.07 -0.00 0.00 0.00 178.16 177.90 1tkv h LEU 84 N -0.71 0.09 0.19 3.88 3.38 -0.51 -3.04 115.31 118.60 1tkv h LEU 84 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1tkv h LEU 84 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1tkv h LEU 84 CO 0.08 0.05 -0.09 -0.33 0.09 0.00 0.00 178.44 178.25 1tkv h GLU 85 N 0.10 -0.25 -0.45 1.13 5.08 -0.24 -3.34 114.58 116.61 1tkv h GLU 85 Ca 0.18 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1tkv h GLU 85 Cb 0.57 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1tkv h GLU 85 CO -0.02 -0.17 0.37 0.00 -1.00 0.00 0.00 179.01 178.20 1tkv h MET 86 N -0.51 0.00 -0.00 2.33 -0.00 -1.39 -0.32 114.93 115.03 1tkv h MET 86 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1tkv h MET 86 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 1tkv h MET 86 CO 0.04 0.00 -0.02 0.66 -0.00 0.00 0.00 176.91 177.59 1tkv n TYR 87 N -4.13 0.00 -3.36 -0.10 4.01 -1.15 -4.15 117.16 108.28 1tkv n TYR 87 Ca 0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.58 1tkv n TYR 87 Cb 0.57 -0.23 -0.09 0.00 -0.31 0.00 0.00 39.34 39.28 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 -2.47 0.05 -0.32 -0.72 -1.32 -0.13 -4.18 115.64 106.55 1tkv s THR 88 Ca 0.31 -1.95 0.04 0.00 -1.21 0.00 0.00 61.69 58.88 1tkv s THR 88 Cb 0.20 -1.01 0.09 0.00 -1.51 0.00 0.00 72.50 70.28 1tkv s THR 88 CO 0.45 -0.96 0.01 0.20 -2.21 0.00 0.00 174.62 172.12 1tkv s ASN 89 N 0.66 4.67 0.00 8.08 0.01 -1.25 -4.86 114.94 122.25 1tkv s ASN 89 Ca 0.25 -1.96 0.00 0.00 -0.71 0.00 0.00 52.86 50.45 1tkv s ASN 89 Cb -0.08 -1.59 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1tkv s ASN 89 CO -0.09 -0.33 0.45 0.29 -1.51 0.00 0.00 177.10 175.90