#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 3.60 0.07 3.52 4.76 -1.26 -4.75 118.16 124.10 1tkv n LYS 3 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1tkv n LYS 3 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 1tkv n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1tkv h ASN 4 N 0.00 -0.24 -1.01 4.39 2.35 -1.97 -3.31 115.58 115.80 1tkv h ASN 4 Ca 0.00 0.01 0.42 0.00 -0.55 0.00 0.00 56.30 56.17 1tkv h ASN 4 Cb 0.00 0.06 -0.17 0.00 0.05 0.00 0.00 38.32 38.26 1tkv h ASN 4 CO 0.00 0.19 0.55 0.00 -1.65 0.00 0.00 177.43 176.53 1tkv n ILE 5 N -4.78 -0.40 0.04 2.81 3.06 -1.26 -1.90 119.36 116.93 1tkv n ILE 5 Ca -0.03 1.98 -0.12 0.00 -2.50 0.00 0.00 62.75 62.08 1tkv n ILE 5 Cb 0.11 -3.22 -0.06 0.00 0.54 0.00 0.00 39.64 37.01 1tkv n ILE 5 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1tkv h ASP 6 N 0.00 -0.06 0.37 9.51 3.32 -1.97 -1.19 116.42 126.40 1tkv h ASP 6 Ca 0.84 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.80 1tkv h ASP 6 Cb 2.25 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.81 1tkv h ASP 6 CO -0.74 -0.03 -0.43 0.74 -1.72 0.00 0.00 179.24 177.06 1tkv h THR 7 N -0.03 1.32 0.08 0.35 2.02 -1.48 -1.05 112.91 114.12 1tkv h THR 7 Ca 0.01 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1tkv h THR 7 Cb 0.05 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1tkv h THR 7 CO -0.03 0.44 -0.08 0.58 0.37 0.00 0.00 175.52 176.81 1tkv h VAL 8 N 0.07 0.83 -0.61 3.16 2.07 -1.39 -2.51 116.25 117.87 1tkv h VAL 8 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1tkv h VAL 8 Cb 0.80 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1tkv h VAL 8 CO 0.06 0.00 0.35 0.08 0.02 0.00 0.00 177.57 178.08 1tkv h ARG 9 N -0.17 0.83 0.00 1.57 0.11 -0.86 0.28 114.38 116.14 1tkv h ARG 9 Ca 0.00 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 59.89 1tkv h ARG 9 Cb 0.16 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1tkv h ARG 9 CO -0.02 0.61 -0.53 1.05 0.10 0.00 0.00 179.97 181.18 1tkv h GLU 10 N 0.82 0.00 -0.09 0.08 4.11 -1.26 -2.88 114.58 115.36 1tkv h GLU 10 Ca 0.22 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.42 1tkv h GLU 10 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1tkv h GLU 10 CO -0.04 0.53 -0.83 0.82 0.07 0.00 0.00 179.01 179.56 1tkv h ILE 11 N 0.00 1.32 -0.98 -1.06 2.04 -0.91 -3.12 117.51 114.80 1tkv h ILE 11 Ca -0.01 -2.11 0.27 0.00 1.00 0.00 0.00 64.86 64.01 1tkv h ILE 11 Cb 1.01 2.13 -0.14 0.00 -0.74 0.00 0.00 36.82 39.08 1tkv h ILE 11 CO 0.07 0.65 0.53 0.40 0.00 0.00 0.00 178.15 179.80 1tkv h ILE 12 N 0.42 0.42 -0.07 -0.67 2.04 -0.37 0.41 117.51 119.70 1tkv h ILE 12 Ca -0.06 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1tkv h ILE 12 Cb 1.45 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1tkv h ILE 12 CO 0.16 0.08 -0.25 0.71 0.00 0.00 0.00 178.15 178.85 1tkv h THR 13 N 0.43 1.43 -0.49 -0.27 1.35 -1.50 -2.46 112.91 111.40 1tkv h THR 13 Ca 0.66 -1.64 0.09 0.00 -0.55 0.00 0.00 66.41 64.98 1tkv h THR 13 Cb 1.36 2.29 -0.08 0.00 -1.73 0.00 0.00 68.15 70.00 1tkv h THR 13 CO -0.55 0.47 0.05 0.58 -0.25 0.00 0.00 175.52 175.82 1tkv h VAL 14 N -0.20 0.66 -0.81 6.82 2.07 -1.37 -2.45 116.25 120.97 1tkv h VAL 14 Ca -0.01 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1tkv h VAL 14 Cb 0.88 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1tkv h VAL 14 CO 0.05 0.03 0.36 0.00 0.02 0.00 0.00 177.57 178.04 1tkv h ALA 15 N 1.41 1.05 0.00 1.67 0.00 -0.19 -1.44 119.26 121.77 1tkv h ALA 15 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tkv h ALA 15 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tkv h ALA 15 CO -0.37 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.18 1tkv h SER 16 N 1.17 0.00 -0.04 0.00 4.64 -1.20 -2.65 113.55 115.47 1tkv h SER 16 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1tkv h SER 16 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1tkv h SER 16 CO -0.03 0.00 0.00 0.40 -0.87 0.00 0.00 176.83 176.33 1tkv h ILE 17 N 0.00 1.23 -0.48 0.95 1.08 -0.79 -0.24 117.51 119.27 1tkv h ILE 17 Ca 0.00 -0.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1tkv h ILE 17 Cb 0.25 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1tkv h ILE 17 CO 0.00 0.19 0.27 -0.07 -0.69 0.00 0.00 178.15 177.85 1tkv h LEU 18 N -0.20 0.57 0.00 1.44 4.07 -1.36 -1.99 115.31 117.85 1tkv h LEU 18 Ca 0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1tkv h LEU 18 Cb 0.30 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1tkv h LEU 18 CO 0.00 0.46 -0.37 0.40 -1.08 0.00 0.00 178.44 177.85 1tkv h ILE 19 N 0.66 0.63 -0.25 1.22 2.04 -1.40 0.40 117.51 120.81 1tkv h ILE 19 Ca 0.17 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.08 1tkv h ILE 19 Cb 0.01 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1tkv h ILE 19 CO -0.03 0.36 -0.13 0.50 0.00 0.00 0.00 178.15 178.85 1tkv h LYS 20 N 0.00 0.41 -0.24 2.37 3.64 -0.47 -2.86 116.57 119.42 1tkv h LYS 20 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1tkv h LYS 20 Cb 1.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1tkv h LYS 20 CO 0.05 0.54 0.00 1.19 -2.27 0.00 0.00 179.45 178.96 1tkv n PHE 21 N -4.22 0.30 -3.48 1.91 3.72 -0.80 -4.98 117.46 109.91 1tkv n PHE 21 Ca 0.00 -0.15 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 1tkv n PHE 21 Cb 0.31 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.93 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 1.42 -3.49 -1.13 4.37 2.88 -0.39 -4.95 113.62 112.33 1tkv n SER 22 Ca 0.17 -0.59 -0.05 0.00 -1.33 0.00 0.00 58.87 57.07 1tkv n SER 22 Cb 0.60 -5.08 0.15 0.00 -0.75 0.00 0.00 64.21 59.12 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 -4.41 2.23 0.21 -1.46 5.12 0.13 -4.88 116.66 113.60 1tkv n ARG 23 Ca -0.19 -3.54 0.12 0.00 -1.93 0.00 0.00 57.85 52.30 1tkv n ARG 23 Cb 0.63 -1.85 0.62 0.00 -1.16 0.00 0.00 32.46 30.70 1tkv n ARG 23 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1tkv h GLU 24 N 1.36 0.00 -1.07 5.56 -0.00 -1.93 -3.05 114.58 115.45 1tkv h GLU 24 Ca 0.15 0.00 0.39 0.00 -0.00 0.00 0.00 59.36 59.90 1tkv h GLU 24 Cb 1.24 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.84 1tkv h GLU 24 CO 0.31 0.00 0.62 -0.44 -0.00 0.00 0.00 179.01 179.50 1tkv h ASP 25 N 0.00 0.38 -0.18 3.06 3.32 -1.95 -0.10 116.42 120.95 1tkv h ASP 25 Ca 0.00 0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1tkv h ASP 25 Cb 0.31 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1tkv h ASP 25 CO 0.00 -0.27 -0.47 0.40 -1.72 0.00 0.00 179.24 177.19 1tkv h ILE 26 N 0.14 1.33 -0.65 0.35 2.04 -1.90 -3.29 117.51 115.53 1tkv h ILE 26 Ca 0.80 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1tkv h ILE 26 Cb 2.11 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 40.10 1tkv h ILE 26 CO -0.63 0.53 0.24 0.58 0.00 0.00 0.00 178.15 178.87 1tkv h VAL 27 N 0.30 1.24 0.00 1.67 2.07 -1.45 -2.89 116.25 117.18 1tkv h VAL 27 Ca -0.01 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1tkv h VAL 27 Cb 1.08 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1tkv h VAL 27 CO 0.10 0.31 0.00 1.05 0.02 0.00 0.00 177.57 179.05 1tkv h GLU 28 N 0.92 0.00 -4.97 1.57 4.11 -1.13 -3.40 114.58 111.69 1tkv h GLU 28 Ca 0.21 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.98 1tkv h GLU 28 Cb 0.24 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.20 1tkv h GLU 28 CO -0.01 0.00 -0.72 1.21 0.07 0.00 0.00 179.01 179.55 1tkv s ASN 29 N -4.94 4.31 0.18 3.06 3.84 -1.25 -4.81 114.94 115.33 1tkv s ASN 29 Ca 0.03 -0.51 -0.13 0.00 0.21 0.00 0.00 52.86 52.45 1tkv s ASN 29 Cb 0.09 -1.73 0.19 0.00 -0.55 0.00 0.00 41.25 39.25 1tkv s ASN 29 CO 0.47 -0.05 1.19 -1.14 -2.79 0.00 0.00 177.10 174.78 1tkv n ARG 30 N 4.77 -0.18 -0.01 0.43 0.63 -1.22 -1.82 116.66 119.26 1tkv n ARG 30 Ca -0.18 1.18 -0.12 0.00 -0.92 0.00 0.00 57.85 57.81 1tkv n ARG 30 Cb 0.50 -1.75 -0.10 0.00 0.45 0.00 0.00 32.46 31.56 1tkv n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tkv h ALA 31 N 1.06 -0.06 -0.97 5.13 0.00 -1.92 -2.99 119.26 119.52 1tkv h ALA 31 Ca 0.27 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1tkv h ALA 31 Cb 0.46 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1tkv h ALA 31 CO -0.76 -0.19 0.62 -0.91 0.00 0.00 0.00 179.25 178.01 1tkv h ASN 32 N -0.74 0.55 0.37 0.00 4.21 -1.81 -0.47 115.58 117.69 1tkv h ASN 32 Ca -0.01 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1tkv h ASN 32 Cb 0.64 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1tkv h ASN 32 CO 0.01 0.19 -0.45 0.15 -1.29 0.00 0.00 177.43 176.04 1tkv h PHE 33 N 0.53 -1.26 -1.00 1.19 3.57 -1.13 -2.11 116.94 116.73 1tkv h PHE 33 Ca 0.53 0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.25 1tkv h PHE 33 Cb 1.14 0.50 -0.10 0.00 2.79 0.00 0.00 35.95 40.28 1tkv h PHE 33 CO -0.00 -0.58 0.61 0.82 -2.23 0.00 0.00 178.31 176.93 1tkv h ILE 34 N -0.84 0.68 -0.04 1.41 2.04 -1.13 0.15 117.51 119.78 1tkv h ILE 34 Ca -0.05 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1tkv h ILE 34 Cb 0.75 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1tkv h ILE 34 CO -0.10 0.13 -0.38 0.00 0.00 0.00 0.00 178.15 177.80 1tkv h ALA 35 N 1.65 1.31 -0.20 1.87 0.00 -1.10 -2.14 119.26 120.65 1tkv h ALA 35 Ca 0.58 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1tkv h ALA 35 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1tkv h ALA 35 CO -0.36 0.50 -0.68 0.35 0.00 0.00 0.00 179.25 179.06 1tkv h PHE 36 N 0.06 1.01 -0.77 0.00 3.57 -0.25 -1.33 116.94 119.24 1tkv h PHE 36 Ca 0.01 -0.41 0.08 0.00 3.53 0.00 0.00 57.97 61.17 1tkv h PHE 36 Cb 0.70 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1tkv h PHE 36 CO 0.00 1.23 0.51 -0.07 -2.23 0.00 0.00 178.31 177.75 1tkv h LEU 37 N 0.56 0.69 -0.47 0.59 3.38 -0.50 -0.14 115.31 119.41 1tkv h LEU 37 Ca -0.02 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1tkv h LEU 37 Cb 1.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1tkv h LEU 37 CO 0.14 0.43 -0.64 0.78 0.09 0.00 0.00 178.44 179.24 1tkv h ASN 38 N 0.77 0.00 0.56 -0.43 2.35 -1.26 -0.80 115.58 116.77 1tkv h ASN 38 Ca 0.34 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1tkv h ASN 38 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1tkv h ASN 38 CO -0.12 0.64 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.70 1tkv h GLU 39 N 0.00 -0.72 0.00 0.81 4.39 -0.01 -3.27 114.58 115.78 1tkv h GLU 39 Ca -0.01 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1tkv h GLU 39 Cb 1.28 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1tkv h GLU 39 CO 0.08 -0.44 -0.47 -0.84 -1.16 0.00 0.00 179.01 176.18 1tkv h ILE 40 N -0.88 0.82 -1.13 3.13 3.07 -1.20 -3.49 117.51 117.84 1tkv h ILE 40 Ca -0.08 -2.15 0.00 0.00 1.55 0.00 0.00 64.86 64.18 1tkv h ILE 40 Cb 0.62 2.40 0.00 0.00 -0.27 0.00 0.00 36.82 39.57 1tkv h ILE 40 CO 0.13 0.46 0.00 0.61 -1.05 0.00 0.00 178.15 178.30 1tkv n GLY 41 N 1.21 0.53 3.57 0.16 0.00 -0.65 -5.02 105.19 104.99 1tkv n GLY 41 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.27 3.81 -0.13 1.61 1.01 -0.40 -4.99 120.40 119.05 1tkv s VAL 42 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1tkv s VAL 42 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1tkv s VAL 42 CO 0.00 -1.30 0.42 0.42 0.00 0.00 0.00 175.10 174.64 1tkv s THR 43 N 5.88 5.21 0.00 3.92 -4.23 -1.26 -4.33 115.64 120.83 1tkv s THR 43 Ca 0.48 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1tkv s THR 43 Cb -0.10 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1tkv s THR 43 CO 0.23 0.35 0.36 1.57 -0.54 0.00 0.00 174.62 176.60 1tkv n HIS 44 N 3.58 0.00 -2.66 3.99 -0.00 -1.13 -4.32 115.22 114.68 1tkv n HIS 44 Ca -0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.76 1tkv n HIS 44 Cb 0.52 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.38 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 -0.47 4.05 -1.59 1.57 0.28 -1.26 -2.97 120.64 120.24 1tkv n GLU 45 Ca 0.00 -4.60 -0.20 0.00 -0.16 0.00 0.00 57.16 52.20 1tkv n GLU 45 Cb 0.00 -2.33 -0.09 0.00 1.43 0.00 0.00 31.44 30.45 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 -0.24 1.93 3.46 -1.84 0.00 -1.26 -4.95 105.19 102.29 1tkv n GLY 46 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.72 1.71 0.53 1.61 0.52 -1.26 -5.04 118.95 113.29 1tkv s ARG 47 Ca 0.00 -1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 53.05 1tkv s ARG 47 Cb 0.00 -0.80 -0.07 0.00 0.52 0.00 0.00 34.95 34.61 1tkv s ARG 47 CO 0.00 -0.26 1.05 0.15 0.02 0.00 0.00 175.30 176.26 1tkv s LYS 48 N -3.86 3.60 -0.26 3.54 -0.14 -1.26 -2.83 119.74 118.53 1tkv s LYS 48 Ca 0.33 1.34 -0.15 0.00 -1.36 0.00 0.00 55.97 56.12 1tkv s LYS 48 Cb 0.07 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 1tkv s LYS 48 CO 0.15 -0.59 0.39 -1.17 -0.76 0.00 0.00 175.35 173.36 1tkv s LEU 49 N -3.84 4.06 0.39 3.17 0.20 -1.26 -4.77 118.68 116.63 1tkv s LEU 49 Ca 0.67 0.35 0.03 0.00 0.69 0.00 0.00 54.13 55.86 1tkv s LEU 49 Cb -0.17 -2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1tkv s LEU 49 CO 0.26 -0.17 0.57 0.20 -0.29 0.00 0.00 176.35 176.92 1tkv s ASN 50 N 1.52 5.93 0.01 3.68 -0.87 -1.26 -4.79 114.94 119.17 1tkv s ASN 50 Ca 0.16 0.11 -0.18 0.00 -1.57 0.00 0.00 52.86 51.38 1tkv s ASN 50 Cb -0.16 -1.46 -0.30 0.00 -0.02 0.00 0.00 41.25 39.31 1tkv s ASN 50 CO 0.09 -0.55 1.03 1.56 -2.57 0.00 0.00 177.10 176.66 1tkv h GLN 51 N 0.64 0.49 0.84 -0.60 4.20 -1.96 -0.99 115.11 117.73 1tkv h GLN 51 Ca -0.46 -0.71 -0.04 0.00 0.06 0.00 0.00 58.65 57.49 1tkv h GLN 51 Cb 1.25 0.25 0.01 0.00 0.30 0.00 0.00 27.48 29.29 1tkv h GLN 51 CO 0.56 1.32 -0.40 -2.95 -0.67 0.00 0.00 178.83 176.68 1tkv h ASN 52 N 0.02 -0.96 0.47 1.46 7.08 -2.00 -3.12 115.58 118.54 1tkv h ASN 52 Ca -0.17 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 1tkv h ASN 52 Cb 1.81 0.25 0.00 0.00 -2.08 0.00 0.00 38.32 38.29 1tkv h ASN 52 CO 0.21 -0.66 0.00 -1.20 -2.08 0.00 0.00 177.43 173.69 1tkv n SER 53 N -5.16 0.00 -0.09 6.14 7.64 -1.25 -1.77 113.62 119.14 1tkv n SER 53 Ca -0.14 0.50 -0.12 0.00 1.01 0.00 0.00 58.87 60.12 1tkv n SER 53 Cb 0.45 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 1tkv n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1tkv h PHE 54 N 0.00 0.56 0.00 1.43 3.57 -1.20 -3.06 116.94 118.24 1tkv h PHE 54 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1tkv h PHE 54 Cb 0.24 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1tkv h PHE 54 CO 0.00 0.73 0.00 0.00 -2.23 0.00 0.00 178.31 176.81 1tkv h ARG 55 N 0.24 0.00 -0.01 1.11 3.08 -1.28 -0.89 114.38 116.63 1tkv h ARG 55 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1tkv h ARG 55 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1tkv h ARG 55 CO 0.03 0.00 0.00 1.57 -1.07 0.00 0.00 179.97 180.50 1tkv h LYS 56 N 0.00 0.01 -0.05 0.04 2.10 -1.55 -2.81 116.57 114.31 1tkv h LYS 56 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1tkv h LYS 56 Cb 0.47 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1tkv h LYS 56 CO 0.00 0.26 -0.01 -0.84 -2.00 0.00 0.00 179.45 176.87 1tkv h ILE 57 N -0.24 0.96 0.01 0.07 3.07 -1.08 -1.90 117.51 118.39 1tkv h ILE 57 Ca 0.00 -0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.19 1tkv h ILE 57 Cb 0.26 0.95 -0.00 0.00 -0.27 0.00 0.00 36.82 37.75 1tkv h ILE 57 CO 0.00 0.00 -0.94 -0.37 -1.05 0.00 0.00 178.15 175.79 1tkv h VAL 58 N 0.01 1.44 0.00 0.16 -1.51 -1.56 -3.39 116.25 111.40 1tkv h VAL 58 Ca 0.02 -2.54 -0.04 0.00 -1.23 0.00 0.00 66.70 62.91 1tkv h VAL 58 Cb 0.03 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1tkv h VAL 58 CO -0.05 0.75 -0.25 -1.28 -1.23 0.00 0.00 177.57 175.52 1tkv h SER 59 N 0.18 0.00 -0.40 4.19 0.87 -1.44 -3.40 113.55 113.55 1tkv h SER 59 Ca -0.07 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1tkv h SER 59 Cb 1.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1tkv h SER 59 CO 0.16 0.99 0.00 -1.84 -0.53 0.00 0.00 176.83 175.60 1tkv n GLU 60 N -4.61 2.03 -1.37 2.24 0.28 -0.72 -4.94 120.64 113.55 1tkv n GLU 60 Ca -0.12 -1.59 -0.41 0.00 -0.16 0.00 0.00 57.16 54.88 1tkv n GLU 60 Cb 0.42 -1.38 0.01 0.00 1.43 0.00 0.00 31.44 31.92 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 0.80 -1.44 -4.81 -1.84 4.77 -1.26 -5.00 117.00 108.22 1tkv n LEU 61 Ca 0.16 0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 56.66 1tkv n LEU 61 Cb 0.39 -1.00 0.17 0.00 -2.33 0.00 0.00 43.42 40.65 1tkv n LEU 61 CO 0.11 -3.64 0.76 0.42 -1.33 0.00 0.00 177.39 173.71 1tkv s THR 62 N -1.65 1.93 0.18 -5.08 -4.23 -1.26 -4.93 115.64 100.60 1tkv s THR 62 Ca 0.62 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1tkv s THR 62 Cb -0.58 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1tkv s THR 62 CO 0.60 0.00 1.54 1.56 -0.54 0.00 0.00 174.62 177.79 1tkv h GLN 63 N -1.69 0.77 -0.34 3.99 4.20 -1.99 -2.88 115.11 117.17 1tkv h GLN 63 Ca -0.47 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 57.90 1tkv h GLN 63 Cb 1.29 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.04 1tkv h GLN 63 CO 0.50 1.01 0.09 0.93 -0.67 0.00 0.00 178.83 180.69 1tkv h GLU 64 N 0.63 0.22 -0.86 1.46 4.39 -1.98 0.17 114.58 118.61 1tkv h GLU 64 Ca 0.06 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.85 1tkv h GLU 64 Cb 0.92 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1tkv h GLU 64 CO 0.08 0.15 0.56 -0.44 -1.16 0.00 0.00 179.01 178.20 1tkv h ASP 65 N 0.23 0.74 0.67 1.42 3.32 -1.93 -0.61 116.42 120.27 1tkv h ASP 65 Ca 0.16 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.97 1tkv h ASP 65 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1tkv h ASP 65 CO -0.19 0.43 -1.27 0.11 -1.72 0.00 0.00 179.24 176.60 1tkv h LYS 66 N 0.82 0.19 -0.77 3.56 1.57 -1.15 -2.73 116.57 118.05 1tkv h LYS 66 Ca 0.40 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1tkv h LYS 66 Cb 0.46 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1tkv h LYS 66 CO -0.17 1.11 0.32 0.87 -0.57 0.00 0.00 179.45 181.01 1tkv h LYS 67 N 0.05 1.13 -0.30 3.15 1.57 -0.48 -0.32 116.57 121.36 1tkv h LYS 67 Ca -0.14 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1tkv h LYS 67 Cb 1.94 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1tkv h LYS 67 CO 0.17 0.90 0.14 1.15 -0.57 0.00 0.00 179.45 181.24 1tkv h THR 68 N 1.11 1.11 -0.05 -0.16 2.02 -1.07 0.11 112.91 115.97 1tkv h THR 68 Ca 0.26 -0.32 -0.22 0.00 0.77 0.00 0.00 66.41 66.90 1tkv h THR 68 Cb 0.18 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1tkv h THR 68 CO -0.02 0.13 -0.86 -0.07 0.37 0.00 0.00 175.52 175.06 1tkv h LEU 69 N 0.42 0.67 -0.85 2.58 3.38 -1.07 -2.73 115.31 117.70 1tkv h LEU 69 Ca 0.11 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1tkv h LEU 69 Cb 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1tkv h LEU 69 CO -0.01 1.27 0.56 0.40 0.09 0.00 0.00 178.44 180.75 1tkv h ILE 70 N 0.34 1.21 -0.41 1.22 2.04 -0.50 -0.22 117.51 121.18 1tkv h ILE 70 Ca -0.07 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1tkv h ILE 70 Cb 1.48 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1tkv h ILE 70 CO 0.16 0.21 0.03 0.44 0.00 0.00 0.00 178.15 178.99 1tkv h ASP 71 N 1.15 0.68 0.14 1.72 3.32 -0.79 -3.11 116.42 119.52 1tkv h ASP 71 Ca 0.32 -0.29 -0.33 0.00 0.02 0.00 0.00 57.03 56.75 1tkv h ASP 71 Cb -0.11 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1tkv h ASP 71 CO -0.07 0.80 -1.70 -0.33 -1.72 0.00 0.00 179.24 176.22 1tkv h GLU 72 N 0.53 0.29 -2.30 3.56 5.08 -1.46 -3.40 114.58 116.88 1tkv h GLU 72 Ca 0.12 -0.49 -0.67 0.00 -1.00 0.00 0.00 59.36 57.32 1tkv h GLU 72 Cb 0.43 0.18 -0.37 0.00 0.50 0.00 0.00 28.75 29.50 1tkv h GLU 72 CO 0.02 1.24 -0.04 1.19 -1.00 0.00 0.00 179.01 180.41 1tkv n PHE 73 N -3.71 3.55 0.00 4.33 3.72 -0.10 -4.97 117.46 120.28 1tkv n PHE 73 Ca -0.27 -3.49 0.00 0.00 -0.05 0.00 0.00 57.45 53.63 1tkv n PHE 73 Cb 0.99 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.04 0.00 -0.14 4.37 3.02 -1.17 -0.48 115.26 120.82 1tkv n ASN 74 Ca 0.36 0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 55.70 1tkv n ASN 74 Cb 0.35 -0.38 0.04 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.93 0.05 3.52 5.08 -1.93 -3.19 114.58 119.04 1tkv h GLU 75 Ca 0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1tkv h GLU 75 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1tkv h GLU 75 CO 0.00 1.03 -0.02 0.78 -1.00 0.00 0.00 179.01 179.80 1tkv h GLY 76 N 0.93 -0.07 0.73 -3.84 0.00 -1.96 -3.15 103.07 95.71 1tkv h GLY 76 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1tkv h GLY 76 CO 0.06 -0.02 -0.13 -2.75 0.00 0.00 0.00 176.54 173.70 1tkv h PHE 77 N -0.49 0.40 -1.00 5.60 3.04 -0.91 -3.00 116.94 120.58 1tkv h PHE 77 Ca -0.01 -0.12 0.18 0.00 3.98 0.00 0.00 57.97 62.00 1tkv h PHE 77 Cb 0.44 -0.09 -0.10 0.00 2.56 0.00 0.00 35.95 38.76 1tkv h PHE 77 CO 0.07 0.72 0.62 0.93 -2.02 0.00 0.00 178.31 178.62 1tkv h GLU 78 N -0.04 0.77 0.00 1.11 5.08 -1.63 0.51 114.58 120.37 1tkv h GLU 78 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1tkv h GLU 78 Cb 0.64 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tkv h GLU 78 CO 0.03 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.96 1tkv n GLY 79 N -1.35 -2.52 0.28 -3.84 0.00 -1.19 -2.76 105.19 93.82 1tkv n GLY 79 Ca 0.22 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 0.43 0.00 1.61 -1.51 -1.35 -2.07 116.25 113.36 1tkv h VAL 80 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1tkv h VAL 80 Cb 0.00 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1tkv h VAL 80 CO 0.00 0.08 0.00 0.22 -1.23 0.00 0.00 177.57 176.64 1tkv h TYR 81 N 0.00 0.00 -0.42 5.19 3.20 -0.08 0.16 116.97 125.02 1tkv h TYR 81 Ca -0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 1tkv h TYR 81 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1tkv h TYR 81 CO 0.00 0.00 -0.32 0.00 -1.64 0.00 0.00 178.16 176.20 1tkv h ARG 82 N 0.00 0.96 0.19 1.82 2.47 -1.18 -2.98 114.38 115.66 1tkv h ARG 82 Ca 0.00 -0.47 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1tkv h ARG 82 Cb 0.71 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1tkv h ARG 82 CO 0.00 1.14 -0.09 1.88 0.56 0.00 0.00 179.97 183.46 1tkv h TYR 83 N 0.80 -0.23 0.33 3.04 -1.99 -1.34 -1.98 116.97 115.60 1tkv h TYR 83 Ca 0.08 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1tkv h TYR 83 Cb 0.91 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1tkv h TYR 83 CO 0.06 0.16 -0.35 -0.07 -0.00 0.00 0.00 178.16 177.96 1tkv h LEU 84 N -0.72 -0.95 -1.67 3.88 3.38 -0.85 -2.33 115.31 116.04 1tkv h LEU 84 Ca -0.03 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.21 1tkv h LEU 84 Cb 0.50 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1tkv h LEU 84 CO 0.04 -0.49 0.53 -0.08 0.09 0.00 0.00 178.44 178.53 1tkv h GLU 85 N -0.72 0.30 0.05 1.13 4.81 -1.53 -2.29 114.58 116.33 1tkv h GLU 85 Ca -0.02 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 1tkv h GLU 85 Cb 0.65 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1tkv h GLU 85 CO -0.07 0.20 -1.43 0.00 -0.73 0.00 0.00 179.01 176.98 1tkv h MET 86 N 0.31 0.11 -0.00 1.92 -0.00 -1.12 -2.66 114.93 113.48 1tkv h MET 86 Ca 0.39 -0.19 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1tkv h MET 86 Cb 1.06 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 1tkv h MET 86 CO -0.11 0.92 -0.05 0.66 -0.00 0.00 0.00 176.91 178.33 1tkv n TYR 87 N -3.31 0.00 -2.61 -0.10 4.01 -0.90 -1.81 117.16 112.44 1tkv n TYR 87 Ca -0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.54 1tkv n TYR 87 Cb 1.01 -0.12 0.04 0.00 -0.31 0.00 0.00 39.34 39.96 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 -0.87 1.57 -1.96 -0.72 5.66 -0.94 -3.45 114.28 113.57 1tkv n THR 88 Ca 0.18 -3.36 -0.42 0.00 -3.05 0.00 0.00 64.05 57.40 1tkv n THR 88 Cb 0.23 0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 69.48 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 -3.63 6.61 0.00 1.09 0.02 -0.75 -4.94 114.94 113.34 1tkv s ASN 89 Ca 0.34 2.26 0.31 0.00 -1.02 0.00 0.00 52.86 54.75 1tkv s ASN 89 Cb 0.37 -2.53 1.76 0.00 0.02 0.00 0.00 41.25 40.87 1tkv s ASN 89 CO -0.02 -0.98 2.15 0.29 0.02 0.00 0.00 177.10 178.56