#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 3.99 -0.04 3.52 4.76 -1.26 -5.06 118.16 124.07 1tkv n LYS 3 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1tkv n LYS 3 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 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 -0.03 -0.94 4.39 2.35 -2.00 -3.40 115.58 115.96 1tkv h ASN 4 Ca 0.00 -0.62 0.20 0.00 -0.55 0.00 0.00 56.30 55.33 1tkv h ASN 4 Cb 0.00 0.01 -0.18 0.00 0.05 0.00 0.00 38.32 38.20 1tkv h ASN 4 CO 0.00 0.75 -0.19 -0.29 -1.65 0.00 0.00 177.43 176.05 1tkv h ILE 5 N -0.96 0.07 -1.08 2.81 2.10 -1.95 -1.72 117.51 116.78 1tkv h ILE 5 Ca -0.00 -0.00 0.31 0.00 1.08 0.00 0.00 64.86 66.25 1tkv h ILE 5 Cb 0.65 0.06 -0.12 0.00 -1.09 0.00 0.00 36.82 36.32 1tkv h ILE 5 CO 0.01 0.00 0.67 0.44 -1.08 0.00 0.00 178.15 178.18 1tkv h ASP 6 N 0.00 0.46 0.21 2.19 5.19 -1.98 -0.85 116.42 121.65 1tkv h ASP 6 Ca 0.47 0.13 -0.35 0.00 -0.62 0.00 0.00 57.03 56.66 1tkv h ASP 6 Cb 0.75 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 1tkv h ASP 6 CO -0.95 -0.02 -1.89 0.74 -3.12 0.00 0.00 179.24 174.00 1tkv h THR 7 N 0.35 0.73 -0.32 0.35 2.02 -1.56 -3.15 112.91 111.33 1tkv h THR 7 Ca 0.68 -2.45 0.06 0.00 0.77 0.00 0.00 66.41 65.48 1tkv h THR 7 Cb 1.71 2.55 -0.06 0.00 -1.74 0.00 0.00 68.15 70.61 1tkv h THR 7 CO -0.43 0.83 -0.06 0.58 0.37 0.00 0.00 175.52 176.81 1tkv h VAL 8 N 0.07 0.70 -0.42 3.16 2.07 -1.23 -1.48 116.25 119.12 1tkv h VAL 8 Ca -0.38 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1tkv h VAL 8 Cb 2.04 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 32.40 1tkv h VAL 8 CO 0.11 0.00 -0.48 -0.09 0.02 0.00 0.00 177.57 177.12 1tkv h ARG 9 N 0.02 -0.34 0.00 1.57 1.12 -1.30 0.12 114.38 115.57 1tkv h ARG 9 Ca 0.15 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1tkv h ARG 9 Cb 0.23 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.27 1tkv h ARG 9 CO -0.31 -0.23 -0.03 1.05 -3.11 0.00 0.00 179.97 177.33 1tkv h GLU 10 N -0.35 0.00 0.02 0.20 4.11 -1.45 -2.72 114.58 114.39 1tkv h GLU 10 Ca 0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.32 1tkv h GLU 10 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1tkv h GLU 10 CO -0.59 0.03 -0.97 0.82 0.07 0.00 0.00 179.01 178.37 1tkv h ILE 11 N 0.00 1.43 0.11 -1.06 2.04 -0.74 -3.14 117.51 116.16 1tkv h ILE 11 Ca -0.00 -2.57 0.01 0.00 1.00 0.00 0.00 64.86 63.30 1tkv h ILE 11 Cb 0.70 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 1tkv h ILE 11 CO 0.00 0.76 -0.16 0.40 0.00 0.00 0.00 178.15 179.16 1tkv h ILE 12 N 0.18 0.65 -0.22 -0.67 2.04 -0.55 0.20 117.51 119.14 1tkv h ILE 12 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1tkv h ILE 12 Cb 1.62 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1tkv h ILE 12 CO 0.16 0.00 -0.08 0.71 0.00 0.00 0.00 178.15 178.95 1tkv h THR 13 N -0.32 0.73 -0.63 -0.27 1.35 -1.57 0.11 112.91 112.32 1tkv h THR 13 Ca 0.02 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.99 1tkv h THR 13 Cb 0.32 0.73 -0.12 0.00 -1.73 0.00 0.00 68.15 67.35 1tkv h THR 13 CO -0.07 0.00 -0.31 0.58 -0.25 0.00 0.00 175.52 175.47 1tkv h VAL 14 N -0.04 0.18 -0.19 6.82 2.07 -1.51 -2.27 116.25 121.31 1tkv h VAL 14 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 1tkv h VAL 14 Cb 0.21 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1tkv h VAL 14 CO -0.25 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.23 1tkv h ALA 15 N 1.14 1.46 0.00 1.67 0.00 0.30 0.06 119.26 123.89 1tkv h ALA 15 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1tkv h ALA 15 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tkv h ALA 15 CO -0.70 0.38 0.00 0.66 0.00 0.00 0.00 179.25 179.59 1tkv h SER 16 N 0.29 0.00 -0.20 0.00 4.64 -0.49 -2.71 113.55 115.08 1tkv h SER 16 Ca 0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1tkv h SER 16 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1tkv h SER 16 CO 0.02 0.00 0.01 0.40 -0.87 0.00 0.00 176.83 176.39 1tkv h ILE 17 N 0.00 1.24 -0.07 0.95 1.08 -0.41 0.17 117.51 120.48 1tkv h ILE 17 Ca 0.00 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.60 1tkv h ILE 17 Cb 0.49 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1tkv h ILE 17 CO 0.00 0.25 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.45 1tkv h LEU 18 N 0.11 0.10 -0.38 1.44 4.07 -1.41 -0.07 115.31 119.16 1tkv h LEU 18 Ca 0.06 -0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 1tkv h LEU 18 Cb 0.37 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1tkv h LEU 18 CO 0.01 0.30 -0.68 0.40 -1.08 0.00 0.00 178.44 177.38 1tkv h ILE 19 N 0.10 1.32 -0.40 1.22 2.04 -1.29 0.54 117.51 121.04 1tkv h ILE 19 Ca 0.02 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.39 1tkv h ILE 19 Cb 0.40 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1tkv h ILE 19 CO 0.03 0.67 0.24 0.50 0.00 0.00 0.00 178.15 179.59 1tkv h LYS 20 N 0.00 0.55 -0.19 2.37 3.64 0.35 -3.07 116.57 120.23 1tkv h LYS 20 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1tkv h LYS 20 Cb 1.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1tkv h LYS 20 CO 0.09 0.41 0.00 1.19 -2.27 0.00 0.00 179.45 178.87 1tkv n PHE 21 N -4.76 0.24 -2.88 1.91 3.72 -0.14 -4.94 117.46 110.61 1tkv n PHE 21 Ca 0.00 -0.12 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 1tkv n PHE 21 Cb 0.06 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.38 -2.55 -2.46 4.37 2.88 -0.51 -4.98 113.62 110.75 1tkv n SER 22 Ca 0.16 -0.41 -0.17 0.00 -1.33 0.00 0.00 58.87 57.12 1tkv n SER 22 Cb 0.34 -3.53 0.02 0.00 -0.75 0.00 0.00 64.21 60.29 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 -2.97 2.64 0.29 -1.46 5.12 0.18 -4.85 116.66 115.61 1tkv n ARG 23 Ca -0.16 -3.93 0.15 0.00 -1.93 0.00 0.00 57.85 51.97 1tkv n ARG 23 Cb 0.61 -1.91 0.86 0.00 -1.16 0.00 0.00 32.46 30.86 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 2.56 0.00 0.00 5.56 -0.00 -1.92 -1.86 114.58 118.92 1tkv h GLU 24 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.50 1tkv h GLU 24 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1tkv h GLU 24 CO 0.61 0.05 0.19 -0.25 -0.00 0.00 0.00 179.01 179.61 1tkv n ASP 25 N -3.66 0.00 -0.11 3.06 8.00 -1.26 -0.84 116.55 121.73 1tkv n ASP 25 Ca -0.02 0.18 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 1tkv n ASP 25 Cb 0.15 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 1tkv n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1tkv n ILE 26 N -1.11 1.55 0.15 0.53 5.41 -0.70 -4.66 119.36 120.53 1tkv n ILE 26 Ca 0.00 -0.46 0.02 0.00 1.00 0.00 0.00 62.75 63.31 1tkv n ILE 26 Cb 0.19 -1.69 0.37 0.00 -0.71 0.00 0.00 39.64 37.79 1tkv n ILE 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1tkv h VAL 27 N -0.47 1.22 0.00 1.39 2.07 -1.07 -3.20 116.25 116.19 1tkv h VAL 27 Ca -0.58 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1tkv h VAL 27 Cb 1.75 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1tkv h VAL 27 CO -0.21 0.31 0.00 -1.84 0.02 0.00 0.00 177.57 175.85 1tkv n GLU 28 N -4.19 0.17 -4.92 1.57 0.28 -0.48 -4.59 120.64 108.49 1tkv n GLU 28 Ca -0.01 0.55 -0.31 0.00 -0.16 0.00 0.00 57.16 57.23 1tkv n GLU 28 Cb 0.34 -1.94 -0.17 0.00 1.43 0.00 0.00 31.44 31.10 1tkv n GLU 28 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1tkv s ASN 29 N -4.19 2.82 0.12 -1.84 3.84 -1.21 -4.63 114.94 109.86 1tkv s ASN 29 Ca 0.00 -0.51 -0.33 0.00 0.21 0.00 0.00 52.86 52.23 1tkv s ASN 29 Cb 0.08 -1.29 -0.12 0.00 -0.55 0.00 0.00 41.25 39.37 1tkv s ASN 29 CO 0.29 0.11 1.55 0.08 -2.79 0.00 0.00 177.10 176.34 1tkv h ARG 30 N 6.96 -0.50 0.35 0.43 0.11 -1.74 -2.62 114.38 117.37 1tkv h ARG 30 Ca -0.25 0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.85 1tkv h ARG 30 Cb 1.21 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1tkv h ARG 30 CO 0.49 -0.33 -0.17 0.00 0.10 0.00 0.00 179.97 180.06 1tkv h ALA 31 N -0.19 -0.47 -1.00 0.08 0.00 -1.95 0.10 119.26 115.84 1tkv h ALA 31 Ca 0.05 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 55.10 1tkv h ALA 31 Cb 0.65 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1tkv h ALA 31 CO -0.49 -0.67 0.58 -0.91 0.00 0.00 0.00 179.25 177.75 1tkv h ASN 32 N -0.65 0.56 -0.05 0.00 2.35 -1.89 0.94 115.58 116.84 1tkv h ASN 32 Ca -0.05 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1tkv h ASN 32 Cb 0.46 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1tkv h ASN 32 CO 0.08 -0.06 -0.02 0.15 -1.65 0.00 0.00 177.43 175.93 1tkv h PHE 33 N 0.41 0.13 -1.00 1.19 3.57 -1.04 -2.00 116.94 118.21 1tkv h PHE 33 Ca 0.70 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.28 1tkv h PHE 33 Cb 1.52 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 40.16 1tkv h PHE 33 CO -0.01 0.49 0.63 0.82 -2.23 0.00 0.00 178.31 178.01 1tkv h ILE 34 N -0.27 0.97 -0.61 1.41 2.04 -0.16 0.32 117.51 121.22 1tkv h ILE 34 Ca 0.01 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1tkv h ILE 34 Cb 0.45 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1tkv h ILE 34 CO 0.01 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.43 1tkv h ALA 35 N 1.51 0.81 -0.84 1.87 0.00 -0.86 -2.17 119.26 119.58 1tkv h ALA 35 Ca 0.47 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1tkv h ALA 35 Cb 0.38 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1tkv h ALA 35 CO -0.24 0.57 0.54 0.35 0.00 0.00 0.00 179.25 180.48 1tkv h PHE 36 N 0.92 1.01 -0.06 0.00 3.57 -0.67 0.34 116.94 122.05 1tkv h PHE 36 Ca 0.18 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1tkv h PHE 36 Cb 0.44 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1tkv h PHE 36 CO 0.03 0.59 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.54 1tkv h LEU 37 N 1.06 -0.27 -0.68 0.59 3.38 0.01 -2.33 115.31 117.06 1tkv h LEU 37 Ca 0.33 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1tkv h LEU 37 Cb 0.00 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1tkv h LEU 37 CO -0.11 -0.13 -0.01 0.78 0.09 0.00 0.00 178.44 179.06 1tkv h ASN 38 N -0.13 0.00 0.45 -0.43 2.35 -1.12 0.70 115.58 117.40 1tkv h ASN 38 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1tkv h ASN 38 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1tkv h ASN 38 CO -0.14 0.01 -0.35 -0.33 -1.65 0.00 0.00 177.43 174.97 1tkv h GLU 39 N 0.00 -0.77 0.00 0.81 4.39 -0.76 -3.32 114.58 114.93 1tkv h GLU 39 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1tkv h GLU 39 Cb 0.78 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1tkv h GLU 39 CO 0.00 -0.51 -0.46 0.44 -1.16 0.00 0.00 179.01 177.32 1tkv n ILE 40 N -5.47 0.15 -1.07 3.13 -5.35 -0.89 -4.96 119.36 104.90 1tkv n ILE 40 Ca -0.11 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1tkv n ILE 40 Cb 0.37 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tkv n GLY 41 N 1.43 1.08 3.70 3.28 0.00 0.05 -5.08 105.19 109.67 1tkv n GLY 41 Ca 0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 4.93 0.12 1.61 1.01 -0.14 -5.00 120.40 120.65 1tkv s VAL 42 Ca 0.00 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.81 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 0.00 0.15 -0.22 0.42 0.00 0.00 0.00 175.10 175.45 1tkv s THR 43 N 1.28 1.88 0.00 3.92 -4.23 -1.26 -4.37 115.64 112.86 1tkv s THR 43 Ca 0.43 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1tkv s THR 43 Cb -0.19 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1tkv s THR 43 CO 0.20 -0.08 0.00 1.57 -0.54 0.00 0.00 174.62 175.77 1tkv n HIS 44 N 0.86 0.00 -2.39 3.99 -0.00 -1.10 -4.60 115.22 111.98 1tkv n HIS 44 Ca -0.18 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.60 1tkv n HIS 44 Cb 0.54 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.43 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 -0.10 4.64 -0.81 1.57 1.02 -1.26 -4.69 120.64 121.02 1tkv n GLU 45 Ca 0.00 -4.24 0.00 0.00 -0.02 0.00 0.00 57.16 52.90 1tkv n GLU 45 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 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 -0.05 0.57 3.73 0.62 0.00 -1.26 -5.01 105.19 103.80 1tkv n GLY 46 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.43 2.45 0.34 1.61 0.52 -1.26 -4.98 118.95 117.19 1tkv s ARG 47 Ca 0.00 -1.42 -0.28 0.00 -0.52 0.00 0.00 55.73 53.51 1tkv s ARG 47 Cb 0.00 -2.25 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 1tkv s ARG 47 CO 0.00 0.23 1.24 0.15 0.02 0.00 0.00 175.30 176.94 1tkv s LYS 48 N -3.80 4.32 0.01 3.54 -0.14 -1.26 -2.72 119.74 119.69 1tkv s LYS 48 Ca 0.35 2.06 -0.17 0.00 -1.36 0.00 0.00 55.97 56.86 1tkv s LYS 48 Cb -0.05 -3.00 -0.06 0.00 -1.68 0.00 0.00 37.83 33.05 1tkv s LYS 48 CO 0.22 -0.16 0.47 -1.17 -0.76 0.00 0.00 175.35 173.95 1tkv s LEU 49 N -1.91 4.47 0.37 3.17 0.20 -1.26 -4.83 118.68 118.88 1tkv s LEU 49 Ca 0.50 1.04 0.07 0.00 0.69 0.00 0.00 54.13 56.43 1tkv s LEU 49 Cb -0.36 -2.70 -0.01 0.00 -0.43 0.00 0.00 46.19 42.68 1tkv s LEU 49 CO 0.48 0.27 0.42 0.20 -0.29 0.00 0.00 176.35 177.42 1tkv s ASN 50 N -0.85 5.54 -0.06 3.68 -0.87 -1.26 -4.91 114.94 116.21 1tkv s ASN 50 Ca 0.26 -0.43 -0.25 0.00 -1.57 0.00 0.00 52.86 50.87 1tkv s ASN 50 Cb -0.17 -0.92 -0.24 0.00 -0.02 0.00 0.00 41.25 39.89 1tkv s ASN 50 CO 0.15 -0.51 1.01 -0.61 -2.57 0.00 0.00 177.10 174.56 1tkv h GLN 51 N 0.98 0.15 -0.46 -0.60 4.15 -1.98 -1.20 115.11 116.14 1tkv h GLN 51 Ca -0.44 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 58.76 1tkv h GLN 51 Cb 1.26 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.98 1tkv h GLN 51 CO 0.54 0.91 0.05 -2.95 -1.93 0.00 0.00 178.83 175.45 1tkv h ASN 52 N -0.55 0.76 0.86 -0.69 -1.07 -2.00 -3.13 115.58 109.75 1tkv h ASN 52 Ca -0.03 -0.28 0.00 0.00 0.07 0.00 0.00 56.30 56.06 1tkv h ASN 52 Cb 0.99 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1tkv h ASN 52 CO 0.04 0.85 -0.36 -1.20 0.07 0.00 0.00 177.43 176.83 1tkv n SER 53 N -4.42 0.50 0.12 6.14 7.64 -1.25 -2.76 113.62 119.59 1tkv n SER 53 Ca 0.00 0.14 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 1tkv n SER 53 Cb 0.27 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.72 -0.62 1.43 3.57 -1.19 -3.02 116.94 116.39 1tkv h PHE 54 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1tkv h PHE 54 Cb 0.61 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1tkv h PHE 54 CO 0.00 -0.37 0.41 -0.09 -2.23 0.00 0.00 178.31 176.02 1tkv h ARG 55 N -0.49 0.68 -0.39 1.11 2.43 -1.47 -0.96 114.38 115.29 1tkv h ARG 55 Ca 0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1tkv h ARG 55 Cb 0.51 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1tkv h ARG 55 CO -0.14 0.45 0.22 1.57 -1.51 0.00 0.00 179.97 180.56 1tkv h LYS 56 N 0.70 0.55 -0.56 0.20 2.10 -1.58 -0.83 116.57 117.15 1tkv h LYS 56 Ca 0.25 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.85 1tkv h LYS 56 Cb 0.12 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 1tkv h LYS 56 CO -0.07 0.44 0.36 -0.84 -2.00 0.00 0.00 179.45 177.34 1tkv h ILE 57 N 0.51 1.10 0.13 0.07 3.07 -1.06 0.81 117.51 122.14 1tkv h ILE 57 Ca 0.14 -0.25 -0.28 0.00 1.55 0.00 0.00 64.86 66.02 1tkv h ILE 57 Cb 0.06 0.32 0.01 0.00 -0.27 0.00 0.00 36.82 36.94 1tkv h ILE 57 CO -0.02 0.13 -1.24 -0.37 -1.05 0.00 0.00 178.15 175.60 1tkv h VAL 58 N 0.72 1.41 0.08 0.16 -1.51 -1.42 -3.40 116.25 112.28 1tkv h VAL 58 Ca 0.22 -2.80 -0.33 0.00 -1.23 0.00 0.00 66.70 62.56 1tkv h VAL 58 Cb -0.03 2.84 -0.03 0.00 -2.13 0.00 0.00 31.29 31.94 1tkv h VAL 58 CO -0.07 0.83 -1.80 -1.20 -1.23 0.00 0.00 177.57 174.09 1tkv n SER 59 N -3.64 2.04 -0.08 4.19 7.64 -0.32 -4.51 113.62 118.93 1tkv n SER 59 Ca -0.11 0.27 0.01 0.00 1.01 0.00 0.00 58.87 60.06 1tkv n SER 59 Cb 1.00 -0.88 0.05 0.00 -1.01 0.00 0.00 64.21 63.37 1tkv n SER 59 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1tkv n GLU 60 N -3.79 1.10 -1.50 1.43 0.28 0.27 -4.88 120.64 113.55 1tkv n GLU 60 Ca -0.33 -0.16 -0.37 0.00 -0.16 0.00 0.00 57.16 56.14 1tkv n GLU 60 Cb 0.93 -1.05 0.07 0.00 1.43 0.00 0.00 31.44 32.81 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 -0.38 3.48 -4.97 -1.84 4.77 -1.26 -5.02 117.00 111.78 1tkv n LEU 61 Ca 0.02 0.73 -0.21 0.00 -0.03 0.00 0.00 56.01 56.53 1tkv n LEU 61 Cb 0.04 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 39.78 1tkv n LEU 61 CO 0.02 -2.02 0.36 0.42 -1.33 0.00 0.00 177.39 174.83 1tkv s THR 62 N -1.65 2.79 0.38 -5.08 -4.23 -1.26 -4.95 115.64 101.64 1tkv s THR 62 Ca 0.75 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1tkv s THR 62 Cb -0.38 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 70.73 1tkv s THR 62 CO 0.48 -0.03 1.93 1.56 -0.54 0.00 0.00 174.62 178.02 1tkv h GLN 63 N 0.11 0.60 -0.10 3.99 4.20 -1.99 -2.60 115.11 119.31 1tkv h GLN 63 Ca -0.42 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.13 1tkv h GLN 63 Cb 1.29 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1tkv h GLN 63 CO 0.52 0.40 -0.39 0.93 -0.67 0.00 0.00 178.83 179.62 1tkv h GLU 64 N 0.62 0.44 -0.82 1.46 5.08 -1.98 -1.64 114.58 117.75 1tkv h GLU 64 Ca 0.35 -0.34 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1tkv h GLU 64 Cb 0.54 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1tkv h GLU 64 CO -0.13 0.97 0.54 -0.44 -1.00 0.00 0.00 179.01 178.96 1tkv h ASP 65 N 0.01 0.48 0.09 1.42 3.32 -1.92 0.29 116.42 120.11 1tkv h ASP 65 Ca -0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1tkv h ASP 65 Cb 1.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1tkv h ASP 65 CO 0.08 0.24 -0.04 0.11 -1.72 0.00 0.00 179.24 177.91 1tkv h LYS 66 N 0.50 -0.12 -0.93 3.56 1.57 -1.49 -2.84 116.57 116.83 1tkv h LYS 66 Ca 0.41 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.51 1tkv h LYS 66 Cb 0.86 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 33.02 1tkv h LYS 66 CO -0.16 0.27 0.22 1.17 -0.57 0.00 0.00 179.45 180.38 1tkv n LYS 67 N -4.82 -0.07 -0.36 3.15 3.00 -0.62 -0.30 118.16 118.15 1tkv n LYS 67 Ca -0.05 1.35 -0.02 0.00 -0.00 0.00 0.00 58.31 59.59 1tkv n LYS 67 Cb 0.21 -2.25 0.11 0.00 0.00 0.00 0.00 35.03 33.10 1tkv n LYS 67 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1tkv h THR 68 N 0.00 1.22 0.05 3.15 2.02 -0.38 0.13 112.91 119.10 1tkv h THR 68 Ca 0.66 -0.44 -0.23 0.00 0.77 0.00 0.00 66.41 67.17 1tkv h THR 68 Cb 1.55 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1tkv h THR 68 CO -0.81 0.23 -1.07 -0.07 0.37 0.00 0.00 175.52 174.17 1tkv h LEU 69 N 1.27 0.18 -0.85 2.58 3.38 -0.68 -2.80 115.31 118.40 1tkv h LEU 69 Ca 0.36 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1tkv h LEU 69 Cb -0.10 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1tkv h LEU 69 CO -0.09 1.13 0.56 0.40 0.09 0.00 0.00 178.44 180.52 1tkv h ILE 70 N 0.04 1.18 -0.43 1.22 2.04 -0.25 0.24 117.51 121.55 1tkv h ILE 70 Ca -0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1tkv h ILE 70 Cb 1.81 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1tkv h ILE 70 CO 0.16 0.20 0.20 0.44 0.00 0.00 0.00 178.15 179.15 1tkv h ASP 71 N 1.11 0.56 0.75 1.72 3.32 -0.80 -3.26 116.42 119.83 1tkv h ASP 71 Ca 0.32 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1tkv h ASP 71 Cb -0.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1tkv h ASP 71 CO -0.09 0.54 -1.34 -0.62 -1.72 0.00 0.00 179.24 176.01 1tkv n GLU 72 N -4.66 0.62 -3.35 3.56 -0.58 -1.06 -4.49 120.64 110.68 1tkv n GLU 72 Ca 0.01 0.19 -0.26 0.00 -0.42 0.00 0.00 57.16 56.68 1tkv n GLU 72 Cb 0.12 -1.81 -0.08 0.00 -0.57 0.00 0.00 31.44 29.10 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 -2.83 1.59 0.00 -0.32 3.01 0.82 -5.01 117.46 114.71 1tkv n PHE 73 Ca -0.08 -3.85 0.00 0.00 1.01 0.00 0.00 57.45 54.53 1tkv n PHE 73 Cb 0.77 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 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 1.29 0.00 0.01 4.37 4.13 -1.23 -0.63 115.26 123.20 1tkv n ASN 74 Ca 0.25 0.91 0.00 0.00 1.68 0.00 0.00 54.58 57.42 1tkv n ASN 74 Cb 0.46 -0.44 0.31 0.00 -1.54 0.00 0.00 39.78 38.57 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 0.51 0.29 3.52 4.81 -1.95 -3.19 114.58 118.56 1tkv h GLU 75 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1tkv h GLU 75 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1tkv h GLU 75 CO 0.00 0.53 -0.14 0.78 -0.73 0.00 0.00 179.01 179.45 1tkv h GLY 76 N 0.80 -0.40 1.07 1.92 0.00 -1.93 -3.15 103.07 101.37 1tkv h GLY 76 Ca 0.11 0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.42 1tkv h GLY 76 CO 0.01 -0.15 -0.50 -2.75 0.00 0.00 0.00 176.54 173.15 1tkv h PHE 77 N -0.49 0.98 -0.53 5.60 3.04 -1.01 -3.02 116.94 121.52 1tkv h PHE 77 Ca -0.04 -0.36 0.11 0.00 3.98 0.00 0.00 57.97 61.66 1tkv h PHE 77 Cb 0.29 -0.18 -0.11 0.00 2.56 0.00 0.00 35.95 38.52 1tkv h PHE 77 CO 0.10 1.16 -0.21 0.93 -2.02 0.00 0.00 178.31 178.27 1tkv h GLU 78 N 0.52 -0.09 0.52 1.11 4.39 -1.67 0.47 114.58 119.84 1tkv h GLU 78 Ca 0.01 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1tkv h GLU 78 Cb 1.11 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1tkv h GLU 78 CO 0.11 -0.06 -0.25 0.78 -1.16 0.00 0.00 179.01 178.43 1tkv h GLY 79 N -0.09 -0.73 2.00 -3.84 0.00 -1.58 -3.05 103.07 95.79 1tkv h GLY 79 Ca 0.25 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1tkv h GLY 79 CO -0.59 -0.27 0.00 -0.39 0.00 0.00 0.00 176.54 175.29 1tkv h VAL 80 N -0.75 0.00 0.00 4.60 -1.51 -1.39 -2.16 116.25 115.04 1tkv h VAL 80 Ca -0.07 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1tkv h VAL 80 Cb 0.54 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1tkv h VAL 80 CO 0.12 0.00 -0.13 0.22 -1.23 0.00 0.00 177.57 176.55 1tkv h TYR 81 N 0.00 0.00 -0.25 5.19 3.20 -0.07 0.38 116.97 125.42 1tkv h TYR 81 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1tkv h TYR 81 Cb 0.35 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1tkv h TYR 81 CO 0.00 0.00 -0.24 0.00 -1.64 0.00 0.00 178.16 176.28 1tkv h ARG 82 N 0.00 0.60 0.68 1.82 2.47 -1.27 -3.14 114.38 115.54 1tkv h ARG 82 Ca 0.00 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.37 1tkv h ARG 82 Cb 0.75 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1tkv h ARG 82 CO 0.00 0.91 -0.33 1.88 0.56 0.00 0.00 179.97 182.99 1tkv h TYR 83 N 0.31 -0.85 -0.82 3.04 -1.99 -1.39 -2.92 116.97 112.35 1tkv h TYR 83 Ca 0.04 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 60.91 1tkv h TYR 83 Cb 0.80 0.28 -0.06 0.00 2.00 0.00 0.00 36.73 39.75 1tkv h TYR 83 CO 0.08 -0.53 0.54 -0.07 -0.00 0.00 0.00 178.16 178.18 1tkv h LEU 84 N -1.10 0.47 0.36 3.88 3.38 -0.44 -2.36 115.31 119.50 1tkv h LEU 84 Ca -0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1tkv h LEU 84 Cb 0.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1tkv h LEU 84 CO 0.15 0.23 -0.17 -0.33 0.09 0.00 0.00 178.44 178.41 1tkv h GLU 85 N 0.49 -0.47 -0.12 1.13 4.39 -1.48 -3.24 114.58 115.28 1tkv h GLU 85 Ca 0.41 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.18 1tkv h GLU 85 Cb 0.88 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1tkv h GLU 85 CO -0.16 -0.31 0.26 0.00 -1.16 0.00 0.00 179.01 177.64 1tkv h MET 86 N -0.64 0.00 -0.00 2.33 -0.00 -1.43 -0.80 114.93 114.39 1tkv h MET 86 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1tkv h MET 86 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1tkv h MET 86 CO 0.08 0.00 -0.04 0.66 -0.00 0.00 0.00 176.91 177.61 1tkv n TYR 87 N -3.33 0.00 -2.48 -0.10 4.01 -0.90 -3.08 117.16 111.28 1tkv n TYR 87 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1tkv n TYR 87 Cb 0.35 -0.39 0.05 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.38 1.38 -4.02 -0.72 5.66 -0.32 -2.53 114.28 112.35 1tkv n THR 88 Ca 0.10 -2.85 -0.34 0.00 -3.05 0.00 0.00 64.05 57.90 1tkv n THR 88 Cb 0.30 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.55 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 -3.35 5.61 0.00 1.09 0.02 -1.11 -5.02 114.94 112.19 1tkv s ASN 89 Ca 0.35 0.08 0.29 0.00 -1.02 0.00 0.00 52.86 52.55 1tkv s ASN 89 Cb 0.36 -1.96 1.19 0.00 0.02 0.00 0.00 41.25 40.86 1tkv s ASN 89 CO -0.05 0.17 1.83 0.29 0.02 0.00 0.00 177.10 179.36