#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 2.54 -0.21 3.52 0.00 -1.26 -5.05 119.74 119.27 1tkv s LYS 3 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 55.97 55.03 1tkv s LYS 3 Cb 0.00 -2.51 -0.19 0.00 0.00 0.00 0.00 37.83 35.14 1tkv s LYS 3 CO 0.00 0.59 0.12 0.09 0.00 0.00 0.00 175.35 176.15 1tkv n ASN 4 N 1.33 1.91 -0.30 0.03 3.02 -1.26 -4.54 115.26 115.45 1tkv n ASN 4 Ca -0.15 0.37 0.11 0.00 -0.03 0.00 0.00 54.58 54.89 1tkv n ASN 4 Cb 0.52 -0.92 0.25 0.00 -0.61 0.00 0.00 39.78 39.03 1tkv n ASN 4 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1tkv h ILE 5 N -0.87 0.26 -0.55 2.41 2.10 -1.97 0.13 117.51 119.02 1tkv h ILE 5 Ca -0.42 -0.05 0.09 0.00 1.08 0.00 0.00 64.86 65.56 1tkv h ILE 5 Cb 1.45 0.11 -0.07 0.00 -1.09 0.00 0.00 36.82 37.22 1tkv h ILE 5 CO -0.22 0.02 0.14 0.44 -1.08 0.00 0.00 178.15 177.46 1tkv h ASP 6 N 0.13 0.07 0.87 2.19 5.19 -1.99 -1.73 116.42 121.16 1tkv h ASP 6 Ca 0.52 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.95 1tkv h ASP 6 Cb 1.03 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1tkv h ASP 6 CO -0.71 0.06 -0.34 0.74 -3.12 0.00 0.00 179.24 175.87 1tkv h THR 7 N 0.29 0.81 -0.05 0.35 2.02 -1.00 -2.52 112.91 112.81 1tkv h THR 7 Ca 0.28 -1.43 -0.15 0.00 0.77 0.00 0.00 66.41 65.88 1tkv h THR 7 Cb 0.37 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1tkv h THR 7 CO -0.33 0.33 -0.64 0.58 0.37 0.00 0.00 175.52 175.83 1tkv h VAL 8 N 0.00 1.41 -0.04 3.16 2.07 -0.92 -3.04 116.25 118.89 1tkv h VAL 8 Ca -0.00 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 1tkv h VAL 8 Cb 0.87 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1tkv h VAL 8 CO 0.04 0.61 -0.16 -0.09 0.02 0.00 0.00 177.57 177.99 1tkv h ARG 9 N 0.15 0.18 -0.42 1.57 2.43 -1.02 0.98 114.38 118.25 1tkv h ARG 9 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1tkv h ARG 9 Cb 1.16 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1tkv h ARG 9 CO 0.10 0.78 0.27 1.05 -1.51 0.00 0.00 179.97 180.66 1tkv h GLU 10 N -0.38 0.56 0.00 0.20 4.11 -1.58 -2.69 114.58 114.80 1tkv h GLU 10 Ca -0.01 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.33 1tkv h GLU 10 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1tkv h GLU 10 CO 0.03 0.39 -0.25 0.82 0.07 0.00 0.00 179.01 180.07 1tkv h ILE 11 N 0.56 0.92 0.04 -1.06 2.04 -1.40 -1.55 117.51 117.05 1tkv h ILE 11 Ca 0.15 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1tkv h ILE 11 Cb -0.04 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1tkv h ILE 11 CO -0.03 0.25 -0.15 0.40 0.00 0.00 0.00 178.15 178.61 1tkv h ILE 12 N 0.00 0.63 -0.62 -0.67 2.04 -0.65 0.76 117.51 119.01 1tkv h ILE 12 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1tkv h ILE 12 Cb 0.54 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1tkv h ILE 12 CO 0.03 0.00 0.40 0.71 0.00 0.00 0.00 178.15 179.30 1tkv h THR 13 N -0.28 1.14 -0.67 -0.27 1.35 -1.04 -1.31 112.91 111.83 1tkv h THR 13 Ca 0.04 -0.28 0.08 0.00 -0.55 0.00 0.00 66.41 65.70 1tkv h THR 13 Cb 0.32 0.25 -0.07 0.00 -1.73 0.00 0.00 68.15 66.92 1tkv h THR 13 CO -0.12 0.15 0.33 0.58 -0.25 0.00 0.00 175.52 176.21 1tkv h VAL 14 N 0.82 0.87 -0.23 6.82 2.07 -1.14 -0.85 116.25 124.61 1tkv h VAL 14 Ca 0.23 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.41 1tkv h VAL 14 Cb -0.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1tkv h VAL 14 CO -0.06 0.11 -0.46 0.00 0.02 0.00 0.00 177.57 177.18 1tkv h ALA 15 N 1.40 0.77 0.00 1.67 0.00 -0.58 -2.82 119.26 119.70 1tkv h ALA 15 Ca 0.33 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1tkv h ALA 15 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tkv h ALA 15 CO -0.25 0.66 -0.13 0.66 0.00 0.00 0.00 179.25 180.20 1tkv h SER 16 N 0.47 0.00 -0.05 0.00 4.64 -0.67 -1.79 113.55 116.14 1tkv h SER 16 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1tkv h SER 16 Cb 0.98 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 1tkv h SER 16 CO 0.09 0.13 -0.20 0.40 -0.87 0.00 0.00 176.83 176.37 1tkv h ILE 17 N 0.00 0.51 -0.73 0.95 1.08 -0.92 0.23 117.51 118.63 1tkv h ILE 17 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1tkv h ILE 17 Cb 0.23 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 1tkv h ILE 17 CO 0.02 0.00 0.47 -0.07 -0.69 0.00 0.00 178.15 177.88 1tkv h LEU 18 N -0.30 0.80 -0.81 1.44 4.07 -1.33 -1.87 115.31 117.31 1tkv h LEU 18 Ca 0.07 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.90 1tkv h LEU 18 Cb 0.40 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1tkv h LEU 18 CO -0.22 0.56 -0.42 0.40 -1.08 0.00 0.00 178.44 177.68 1tkv h ILE 19 N 0.94 1.31 -0.90 1.22 2.04 -1.10 0.55 117.51 121.57 1tkv h ILE 19 Ca 0.28 -1.57 0.14 0.00 1.00 0.00 0.00 64.86 64.71 1tkv h ILE 19 Cb -0.05 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 1tkv h ILE 19 CO -0.08 0.48 0.58 0.50 0.00 0.00 0.00 178.15 179.62 1tkv h LYS 20 N 0.31 0.68 -0.54 2.37 3.64 -0.04 -1.07 116.57 121.92 1tkv h LYS 20 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1tkv h LYS 20 Cb 0.87 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1tkv h LYS 20 CO 0.07 0.45 0.00 1.19 -2.27 0.00 0.00 179.45 178.89 1tkv n PHE 21 N -4.57 0.72 -3.18 1.91 3.72 -0.75 -4.97 117.46 110.34 1tkv n PHE 21 Ca 0.18 -0.36 -0.23 0.00 -0.05 0.00 0.00 57.45 56.99 1tkv n PHE 21 Cb 0.47 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 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 1.19 -6.16 -2.98 4.37 2.88 -0.17 -4.95 113.62 107.80 1tkv n SER 22 Ca 0.19 -0.36 -0.35 0.00 -1.33 0.00 0.00 58.87 57.03 1tkv n SER 22 Cb 0.49 -4.94 0.01 0.00 -0.75 0.00 0.00 64.21 59.02 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 -4.29 3.63 0.09 -1.46 5.12 0.17 -4.77 116.66 115.16 1tkv n ARG 23 Ca -0.08 -4.28 0.11 0.00 -1.93 0.00 0.00 57.85 51.67 1tkv n ARG 23 Cb 0.60 -2.31 0.45 0.00 -1.16 0.00 0.00 32.46 30.04 1tkv n ARG 23 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1tkv n GLU 24 N -0.36 0.15 -0.32 5.56 -0.00 -1.26 -2.98 120.64 121.42 1tkv n GLU 24 Ca 0.45 0.35 0.19 0.00 -0.00 0.00 0.00 57.16 58.14 1tkv n GLU 24 Cb 0.38 -1.77 0.39 0.00 -0.00 0.00 0.00 31.44 30.44 1tkv n GLU 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1tkv h ASP 25 N 0.00 0.20 -0.14 -1.84 3.32 -1.96 0.64 116.42 116.64 1tkv h ASP 25 Ca 0.00 0.21 -0.16 0.00 0.02 0.00 0.00 57.03 57.09 1tkv h ASP 25 Cb 0.37 0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.16 1tkv h ASP 25 CO 0.00 -0.18 -0.54 0.40 -1.72 0.00 0.00 179.24 177.20 1tkv h ILE 26 N 0.23 1.34 -0.49 0.35 2.04 -1.93 -3.33 117.51 115.73 1tkv h ILE 26 Ca 0.65 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1tkv h ILE 26 Cb 1.43 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1tkv h ILE 26 CO -0.66 0.56 0.24 0.58 0.00 0.00 0.00 178.15 178.86 1tkv h VAL 27 N 0.27 1.19 0.00 1.67 2.07 -1.45 -3.30 116.25 116.70 1tkv h VAL 27 Ca -0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1tkv h VAL 27 Cb 1.17 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1tkv h VAL 27 CO 0.11 0.21 0.05 -1.84 0.02 0.00 0.00 177.57 176.12 1tkv n GLU 28 N -4.63 0.05 -3.93 1.57 0.28 0.12 -4.31 120.64 109.80 1tkv n GLU 28 Ca 0.02 0.52 -0.27 0.00 -0.16 0.00 0.00 57.16 57.27 1tkv n GLU 28 Cb 0.11 -1.72 -0.17 0.00 1.43 0.00 0.00 31.44 31.09 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 -3.31 2.21 0.20 -1.84 3.84 -1.25 -4.73 114.94 110.07 1tkv s ASN 29 Ca -0.01 -0.32 -0.17 0.00 0.21 0.00 0.00 52.86 52.57 1tkv s ASN 29 Cb 0.02 -0.87 0.17 0.00 -0.55 0.00 0.00 41.25 40.03 1tkv s ASN 29 CO 0.07 -0.11 1.61 0.08 -2.79 0.00 0.00 177.10 175.96 1tkv h ARG 30 N 8.14 -0.10 -0.31 0.43 0.11 -1.75 -0.91 114.38 119.99 1tkv h ARG 30 Ca -0.31 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.78 1tkv h ARG 30 Cb 1.13 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1tkv h ARG 30 CO 0.42 -0.06 0.18 0.00 0.10 0.00 0.00 179.97 180.60 1tkv h ALA 31 N 1.27 0.40 -0.26 0.08 0.00 -1.95 -0.24 119.26 118.58 1tkv h ALA 31 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1tkv h ALA 31 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1tkv h ALA 31 CO -0.65 -0.08 0.06 -0.91 0.00 0.00 0.00 179.25 177.67 1tkv h ASN 32 N 0.39 0.33 -0.08 0.00 -0.26 -1.80 -1.62 115.58 112.54 1tkv h ASN 32 Ca 0.11 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1tkv h ASN 32 Cb 0.05 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1tkv h ASN 32 CO -0.02 0.34 0.01 0.15 -1.06 0.00 0.00 177.43 176.85 1tkv h PHE 33 N 0.36 0.14 -0.85 1.19 3.57 -0.71 -1.64 116.94 119.00 1tkv h PHE 33 Ca 0.09 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.73 1tkv h PHE 33 Cb 0.14 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.75 1tkv h PHE 33 CO 0.00 0.35 0.42 0.82 -2.23 0.00 0.00 178.31 177.67 1tkv h ILE 34 N -0.11 0.67 0.11 1.41 2.04 -0.85 0.35 117.51 121.11 1tkv h ILE 34 Ca 0.02 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1tkv h ILE 34 Cb 0.29 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1tkv h ILE 34 CO 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 178.15 178.20 1tkv h ALA 35 N 1.59 -0.14 -0.98 1.87 0.00 -1.19 -2.12 119.26 118.29 1tkv h ALA 35 Ca 0.48 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1tkv h ALA 35 Cb 0.74 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1tkv h ALA 35 CO -0.40 -0.57 0.61 0.35 0.00 0.00 0.00 179.25 179.23 1tkv h PHE 36 N -0.16 1.11 -0.74 0.00 3.57 -0.62 -2.40 116.94 117.70 1tkv h PHE 36 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1tkv h PHE 36 Cb 0.12 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1tkv h PHE 36 CO -0.07 0.46 0.49 -0.07 -2.23 0.00 0.00 178.31 176.89 1tkv h LEU 37 N 0.99 0.71 -0.84 0.59 3.38 0.25 -1.29 115.31 119.10 1tkv h LEU 37 Ca 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1tkv h LEU 37 Cb 0.43 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1tkv h LEU 37 CO -0.25 0.47 -0.06 0.78 0.09 0.00 0.00 178.44 179.48 1tkv h ASN 38 N 0.82 0.00 0.18 -0.43 2.35 -0.91 -1.81 115.58 115.78 1tkv h ASN 38 Ca 0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1tkv h ASN 38 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1tkv h ASN 38 CO -0.10 0.06 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.32 1tkv h GLU 39 N 0.00 -0.23 0.00 0.81 4.39 -0.93 -3.36 114.58 115.26 1tkv h GLU 39 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1tkv h GLU 39 Cb 0.76 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1tkv h GLU 39 CO 0.01 0.18 -0.65 0.44 -1.16 0.00 0.00 179.01 177.83 1tkv n ILE 40 N -4.94 0.10 -0.29 3.13 -0.00 -0.93 -4.97 119.36 111.46 1tkv n ILE 40 Ca -0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1tkv n ILE 40 Cb 0.26 0.22 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1tkv n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1tkv n GLY 41 N 1.45 1.31 3.61 3.28 0.00 -0.76 -5.05 105.19 109.03 1tkv n GLY 41 Ca 0.04 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 3.75 0.18 1.61 1.01 -0.75 -5.00 120.40 119.21 1tkv s VAL 42 Ca 0.00 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1tkv s VAL 42 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1tkv s VAL 42 CO 0.00 -0.48 0.25 0.42 0.00 0.00 0.00 175.10 175.28 1tkv s THR 43 N 5.61 4.98 0.00 3.92 -4.23 -1.26 -4.40 115.64 120.26 1tkv s THR 43 Ca 0.69 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1tkv s THR 43 Cb -0.20 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1tkv s THR 43 CO 0.31 -0.17 0.00 1.57 -0.54 0.00 0.00 174.62 175.78 1tkv n HIS 44 N -0.74 0.00 -1.89 3.99 -0.00 -0.86 -4.73 115.22 110.99 1tkv n HIS 44 Ca -0.08 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.74 1tkv n HIS 44 Cb 0.55 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.43 1tkv n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1tkv n GLU 45 N 0.00 3.11 -0.28 1.57 0.28 -1.26 -4.61 120.64 119.45 1tkv n GLU 45 Ca 0.00 -3.31 0.00 0.00 -0.16 0.00 0.00 57.16 53.69 1tkv n GLU 45 Cb 0.00 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.59 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 0.09 1.71 3.58 -1.84 0.00 -1.26 -4.88 105.19 102.60 1tkv n GLY 46 Ca 0.52 0.00 -0.25 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 -0.26 2.08 0.26 1.61 0.52 -1.26 -4.99 118.95 116.91 1tkv s ARG 47 Ca 0.00 -1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 53.51 1tkv s ARG 47 Cb 0.00 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 1tkv s ARG 47 CO 0.00 0.39 1.42 0.15 0.02 0.00 0.00 175.30 177.29 1tkv s LYS 48 N -3.24 4.28 -0.03 3.54 -0.14 -1.26 -2.04 119.74 120.85 1tkv s LYS 48 Ca 0.28 2.29 -0.28 0.00 -1.36 0.00 0.00 55.97 56.90 1tkv s LYS 48 Cb -0.07 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.94 1tkv s LYS 48 CO 0.17 -0.39 0.89 -1.17 -0.76 0.00 0.00 175.35 174.08 1tkv s LEU 49 N -0.53 4.35 0.22 3.17 0.20 -1.26 -4.86 118.68 119.96 1tkv s LEU 49 Ca 0.58 1.49 -0.00 0.00 0.69 0.00 0.00 54.13 56.89 1tkv s LEU 49 Cb -0.41 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 41.90 1tkv s LEU 49 CO 0.44 -0.22 0.41 0.20 -0.29 0.00 0.00 176.35 176.89 1tkv s ASN 50 N 0.95 6.38 0.19 3.68 0.01 -1.26 -4.88 114.94 120.00 1tkv s ASN 50 Ca 0.47 0.40 -0.08 0.00 -0.71 0.00 0.00 52.86 52.94 1tkv s ASN 50 Cb -0.20 -2.01 0.10 0.00 0.41 0.00 0.00 41.25 39.56 1tkv s ASN 50 CO 0.24 -0.07 1.62 -0.61 -1.51 0.00 0.00 177.10 176.77 1tkv h GLN 51 N 1.84 0.96 -0.18 -0.60 4.15 -1.97 0.14 115.11 119.46 1tkv h GLN 51 Ca -0.48 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 58.52 1tkv h GLN 51 Cb 1.20 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1tkv h GLN 51 CO 0.67 1.02 -0.13 -2.95 -1.93 0.00 0.00 178.83 175.50 1tkv h ASN 52 N 0.85 0.42 1.54 -0.69 -1.07 -2.00 -2.90 115.58 111.74 1tkv h ASN 52 Ca 0.13 -0.45 0.00 0.00 0.07 0.00 0.00 56.30 56.05 1tkv h ASN 52 Cb 0.67 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 1tkv h ASN 52 CO 0.05 0.78 0.00 0.28 0.07 0.00 0.00 177.43 178.61 1tkv h SER 53 N 0.07 0.00 -0.07 6.14 0.02 -1.96 -2.49 113.55 115.26 1tkv h SER 53 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1tkv h SER 53 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1tkv h SER 53 CO 0.04 0.00 0.02 0.15 -1.14 0.00 0.00 176.83 175.90 1tkv h PHE 54 N 0.00 0.11 0.00 3.45 3.57 -0.73 -3.09 116.94 120.24 1tkv h PHE 54 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1tkv h PHE 54 Cb 0.77 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1tkv h PHE 54 CO 0.00 0.27 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.10 1tkv h ARG 55 N -0.08 0.00 0.20 1.11 2.43 -1.23 -2.19 114.38 114.62 1tkv h ARG 55 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1tkv h ARG 55 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1tkv h ARG 55 CO -0.00 0.16 -0.10 1.57 -1.51 0.00 0.00 179.97 180.09 1tkv h LYS 56 N 0.00 -0.26 -0.61 0.20 2.10 -1.60 -2.67 116.57 113.74 1tkv h LYS 56 Ca -0.00 0.02 0.12 0.00 -2.00 0.00 0.00 60.65 58.79 1tkv h LYS 56 Cb 0.76 0.06 -0.09 0.00 -0.90 0.00 0.00 32.23 32.05 1tkv h LYS 56 CO 0.02 0.06 0.08 -0.84 -2.00 0.00 0.00 179.45 176.77 1tkv h ILE 57 N -0.59 0.58 0.00 0.07 3.07 -1.32 -0.23 117.51 119.08 1tkv h ILE 57 Ca -0.03 -0.07 -0.02 0.00 1.55 0.00 0.00 64.86 66.29 1tkv h ILE 57 Cb 0.44 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.35 1tkv h ILE 57 CO 0.05 0.04 -0.09 -0.37 -1.05 0.00 0.00 178.15 176.73 1tkv h VAL 58 N 0.20 1.62 0.07 0.16 -1.51 -1.62 -3.41 116.25 111.76 1tkv h VAL 58 Ca 0.32 -1.95 -0.28 0.00 -1.23 0.00 0.00 66.70 63.57 1tkv h VAL 58 Cb 0.50 2.92 -0.02 0.00 -2.13 0.00 0.00 31.29 32.56 1tkv h VAL 58 CO -0.45 0.51 -1.42 0.28 -1.23 0.00 0.00 177.57 175.26 1tkv h SER 59 N -0.72 0.23 -0.12 4.19 0.02 -1.22 -3.36 113.55 112.57 1tkv h SER 59 Ca -0.01 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1tkv h SER 59 Cb 0.89 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1tkv h SER 59 CO 0.02 1.26 0.00 -1.84 -1.14 0.00 0.00 176.83 175.13 1tkv n GLU 60 N -3.36 1.45 -1.71 3.45 0.28 -0.12 -4.98 120.64 115.64 1tkv n GLU 60 Ca -0.12 -0.68 -0.38 0.00 -0.16 0.00 0.00 57.16 55.82 1tkv n GLU 60 Cb 1.02 -1.31 0.05 0.00 1.43 0.00 0.00 31.44 32.63 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 -0.08 5.37 -4.80 -1.84 4.77 -1.26 -4.96 117.00 114.20 1tkv n LEU 61 Ca 0.14 0.89 -0.29 0.00 -0.03 0.00 0.00 56.01 56.71 1tkv n LEU 61 Cb 0.21 -1.53 0.12 0.00 -2.33 0.00 0.00 43.42 39.89 1tkv n LEU 61 CO 0.11 -0.98 0.72 0.42 -1.33 0.00 0.00 177.39 176.32 1tkv s THR 62 N -1.36 2.38 0.19 -5.08 -4.23 -1.26 -4.85 115.64 101.42 1tkv s THR 62 Ca 0.77 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.28 1tkv s THR 62 Cb -0.41 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 70.65 1tkv s THR 62 CO 0.45 -0.16 1.85 1.56 -0.54 0.00 0.00 174.62 177.78 1tkv h GLN 63 N -1.33 0.82 -0.65 3.99 4.20 -1.99 -1.41 115.11 118.76 1tkv h GLN 63 Ca -0.49 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 1tkv h GLN 63 Cb 1.31 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1tkv h GLN 63 CO 0.61 0.56 0.32 0.93 -0.67 0.00 0.00 178.83 180.58 1tkv h GLU 64 N 0.84 0.92 -0.57 1.46 5.08 -1.97 0.26 114.58 120.60 1tkv h GLU 64 Ca 0.23 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1tkv h GLU 64 Cb -0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1tkv h GLU 64 CO -0.05 0.70 0.11 -0.44 -1.00 0.00 0.00 179.01 178.33 1tkv h ASP 65 N 0.92 0.89 -0.09 1.42 3.32 -1.87 0.65 116.42 121.66 1tkv h ASP 65 Ca 0.23 -0.25 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1tkv h ASP 65 Cb 0.08 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.41 1tkv h ASP 65 CO -0.03 0.91 -0.78 0.11 -1.72 0.00 0.00 179.24 177.74 1tkv h LYS 66 N 0.83 0.69 -0.10 3.56 1.57 -0.80 -2.27 116.57 120.04 1tkv h LYS 66 Ca 0.17 -0.62 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1tkv h LYS 66 Cb 0.39 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1tkv h LYS 66 CO 0.01 1.22 -0.03 0.87 -0.57 0.00 0.00 179.45 180.95 1tkv h LYS 67 N 0.37 0.15 -0.48 3.15 1.79 -0.50 0.21 116.57 121.26 1tkv h LYS 67 Ca -0.07 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1tkv h LYS 67 Cb 1.42 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.02 1tkv h LYS 67 CO 0.16 0.19 0.25 1.15 -1.08 0.00 0.00 179.45 180.12 1tkv h THR 68 N 0.15 1.18 -0.31 -0.16 2.02 -0.57 -0.18 112.91 115.04 1tkv h THR 68 Ca 0.04 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1tkv h THR 68 Cb 0.15 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1tkv h THR 68 CO 0.01 0.20 0.04 -0.07 0.37 0.00 0.00 175.52 176.06 1tkv h LEU 69 N 0.63 0.50 -1.07 2.58 3.38 -0.82 -2.89 115.31 117.63 1tkv h LEU 69 Ca 0.17 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1tkv h LEU 69 Cb 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1tkv h LEU 69 CO -0.02 0.65 0.62 0.40 0.09 0.00 0.00 178.44 180.17 1tkv h ILE 70 N 0.34 0.97 -0.75 1.22 2.04 -0.85 0.31 117.51 120.79 1tkv h ILE 70 Ca 0.09 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1tkv h ILE 70 Cb 0.36 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1tkv h ILE 70 CO 0.01 0.18 0.43 0.44 0.00 0.00 0.00 178.15 179.21 1tkv h ASP 71 N 1.00 0.91 0.00 1.72 3.32 -0.82 -3.19 116.42 119.35 1tkv h ASP 71 Ca 0.46 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 57.20 1tkv h ASP 71 Cb 0.41 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1tkv h ASP 71 CO -0.22 0.72 -2.09 -0.62 -1.72 0.00 0.00 179.24 175.31 1tkv n GLU 72 N -4.37 1.13 -2.41 3.56 1.02 -0.95 -4.64 120.64 113.98 1tkv n GLU 72 Ca 0.08 -0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1tkv n GLU 72 Cb 0.08 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1tkv n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tkv n PHE 73 N -2.52 3.35 -0.02 -0.32 3.01 0.10 -4.97 117.46 116.09 1tkv n PHE 73 Ca -0.23 -3.01 -0.01 0.00 1.01 0.00 0.00 57.45 55.21 1tkv n PHE 73 Cb 0.93 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 40.22 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 -0.50 -0.06 0.10 4.37 4.13 -1.20 0.11 115.26 122.21 1tkv n ASN 74 Ca 0.40 1.02 -0.05 0.00 1.68 0.00 0.00 54.58 57.63 1tkv n ASN 74 Cb 0.65 -0.47 0.03 0.00 -1.54 0.00 0.00 39.78 38.44 1tkv n ASN 74 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1tkv h GLU 75 N 0.00 0.06 0.44 3.52 5.08 -1.93 -3.17 114.58 118.57 1tkv h GLU 75 Ca 0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1tkv h GLU 75 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1tkv h GLU 75 CO -0.05 0.84 -0.21 0.78 -1.00 0.00 0.00 179.01 179.36 1tkv h GLY 76 N 2.22 -0.61 0.57 -3.84 0.00 -1.84 -3.18 103.07 96.39 1tkv h GLY 76 Ca -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1tkv h GLY 76 CO 0.11 -0.22 -0.07 -2.75 0.00 0.00 0.00 176.54 173.61 1tkv h PHE 77 N -1.03 0.17 -0.87 5.60 3.04 -0.49 -2.74 116.94 120.62 1tkv h PHE 77 Ca -0.06 -0.05 0.17 0.00 3.98 0.00 0.00 57.97 62.00 1tkv h PHE 77 Cb 0.55 -0.03 -0.16 0.00 2.56 0.00 0.00 35.95 38.87 1tkv h PHE 77 CO 0.02 0.63 -0.25 0.93 -2.02 0.00 0.00 178.31 177.61 1tkv h GLU 78 N -0.34 -0.01 0.17 1.11 4.39 -1.65 0.51 114.58 118.75 1tkv h GLU 78 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1tkv h GLU 78 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1tkv h GLU 78 CO 0.02 -0.01 -0.08 0.78 -1.16 0.00 0.00 179.01 178.56 1tkv h GLY 79 N -0.02 -0.24 2.00 -3.84 0.00 -1.62 -3.14 103.07 96.22 1tkv h GLY 79 Ca 0.39 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1tkv h GLY 79 CO -0.90 -0.09 0.00 -0.39 0.00 0.00 0.00 176.54 175.17 1tkv h VAL 80 N -0.77 0.00 0.00 4.60 -1.51 -1.10 -1.83 116.25 115.65 1tkv h VAL 80 Ca -0.02 -0.62 -0.10 0.00 -1.23 0.00 0.00 66.70 64.72 1tkv h VAL 80 Cb 0.52 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1tkv h VAL 80 CO 0.04 0.00 -0.48 0.22 -1.23 0.00 0.00 177.57 176.11 1tkv h TYR 81 N 0.00 0.00 -0.27 5.19 3.20 -0.10 -0.82 116.97 124.16 1tkv h TYR 81 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1tkv h TYR 81 Cb 0.63 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1tkv h TYR 81 CO 0.00 0.48 -0.09 0.00 -1.64 0.00 0.00 178.16 176.92 1tkv h ARG 82 N 0.00 0.45 0.25 1.82 2.47 -1.27 -0.75 114.38 117.34 1tkv h ARG 82 Ca -0.00 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1tkv h ARG 82 Cb 1.11 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1tkv h ARG 82 CO 0.06 0.54 -0.12 1.88 0.56 0.00 0.00 179.97 182.90 1tkv h TYR 83 N 0.42 -0.31 -0.16 3.04 -1.99 -1.42 -1.57 116.97 114.98 1tkv h TYR 83 Ca 0.08 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.85 1tkv h TYR 83 Cb 0.42 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1tkv h TYR 83 CO 0.01 -0.19 0.40 -0.07 -0.00 0.00 0.00 178.16 178.31 1tkv h LEU 84 N -0.67 0.00 0.01 3.88 3.38 -1.23 -1.39 115.31 119.29 1tkv h LEU 84 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1tkv h LEU 84 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1tkv h LEU 84 CO 0.06 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 178.11 1tkv h GLU 85 N 0.00 0.08 0.00 1.13 4.39 -1.03 -3.34 114.58 115.81 1tkv h GLU 85 Ca 0.08 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1tkv h GLU 85 Cb 0.87 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1tkv h GLU 85 CO -0.00 0.92 0.00 0.00 -1.16 0.00 0.00 179.01 178.77 1tkv h MET 86 N -0.70 0.00 -0.01 2.33 -0.00 -0.24 -3.00 114.93 113.32 1tkv h MET 86 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1tkv h MET 86 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 1tkv h MET 86 CO 0.03 0.00 -0.22 0.66 -0.00 0.00 0.00 176.91 177.37 1tkv n TYR 87 N -2.81 0.00 -3.37 -0.10 4.01 -0.78 -4.37 117.16 109.74 1tkv n TYR 87 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 1tkv n TYR 87 Cb 0.45 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.55 0.07 -0.37 -0.72 -1.32 -1.13 -3.57 115.64 106.05 1tkv s THR 88 Ca 0.24 -1.96 0.03 0.00 -1.21 0.00 0.00 61.69 58.79 1tkv s THR 88 Cb 0.19 -1.02 0.11 0.00 -1.51 0.00 0.00 72.50 70.26 1tkv s THR 88 CO 0.52 -0.97 0.10 0.20 -2.21 0.00 0.00 174.62 172.26 1tkv s ASN 89 N 0.66 4.58 0.00 8.08 0.01 -1.26 -4.89 114.94 122.12 1tkv s ASN 89 Ca 0.25 -2.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.15 1tkv s ASN 89 Cb -0.08 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1tkv s ASN 89 CO -0.09 -0.36 0.48 0.29 -1.51 0.00 0.00 177.10 175.91