#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 1.30 -0.00 1.20 3.01 -1.26 -5.01 119.74 118.98 1tkv s LYS 3 Ca 0.00 -0.43 -0.17 0.00 -1.01 0.00 0.00 55.97 54.36 1tkv s LYS 3 Cb 0.00 -1.89 -0.34 0.00 -1.01 0.00 0.00 37.83 34.59 1tkv s LYS 3 CO 0.00 -0.43 0.92 -0.91 0.51 0.00 0.00 175.35 175.44 1tkv h ASN 4 N 8.15 0.71 -0.81 2.83 2.35 -2.01 -3.34 115.58 123.46 1tkv h ASN 4 Ca -0.24 -0.93 0.20 0.00 -0.55 0.00 0.00 56.30 54.78 1tkv h ASN 4 Cb 1.11 -0.23 -0.14 0.00 0.05 0.00 0.00 38.32 39.11 1tkv h ASN 4 CO 0.38 1.64 0.04 -0.29 -1.65 0.00 0.00 177.43 177.56 1tkv h ILE 5 N -0.01 0.29 0.00 2.81 2.10 -1.94 -0.38 117.51 120.38 1tkv h ILE 5 Ca -0.24 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1tkv h ILE 5 Cb 2.02 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1tkv h ILE 5 CO 0.23 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.79 1tkv n ASP 6 N -5.35 0.11 -0.07 2.19 8.00 -1.25 -1.74 116.55 118.44 1tkv n ASP 6 Ca 0.16 0.53 -0.22 0.00 0.71 0.00 0.00 54.79 55.98 1tkv n ASP 6 Cb 0.54 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 1tkv n ASP 6 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1tkv h THR 7 N 0.00 0.81 -0.29 -3.53 2.02 -1.23 -3.19 112.91 107.51 1tkv h THR 7 Ca 0.00 -2.23 0.01 0.00 0.77 0.00 0.00 66.41 64.95 1tkv h THR 7 Cb 0.22 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1tkv h THR 7 CO 0.00 0.51 0.18 0.58 0.37 0.00 0.00 175.52 177.16 1tkv h VAL 8 N -0.64 1.06 -0.17 3.16 2.07 -1.26 -2.14 116.25 118.33 1tkv h VAL 8 Ca -0.38 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1tkv h VAL 8 Cb 1.55 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1tkv h VAL 8 CO -0.11 0.07 -0.10 -1.14 0.02 0.00 0.00 177.57 176.30 1tkv n ARG 9 N -4.90 -0.08 0.22 1.57 0.63 -0.71 0.25 116.66 113.64 1tkv n ARG 9 Ca -0.01 1.07 0.08 0.00 -0.92 0.00 0.00 57.85 58.07 1tkv n ARG 9 Cb 0.03 -1.60 0.52 0.00 0.45 0.00 0.00 32.46 31.86 1tkv n ARG 9 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1tkv h GLU 10 N 0.00 0.00 0.04 -0.14 4.11 -1.51 -2.49 114.58 114.59 1tkv h GLU 10 Ca 0.03 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.22 1tkv h GLU 10 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tkv h GLU 10 CO -0.16 0.24 -1.04 0.82 0.07 0.00 0.00 179.01 178.94 1tkv h ILE 11 N 0.00 1.42 -0.66 -1.06 2.04 -1.01 -3.11 117.51 115.14 1tkv h ILE 11 Ca -0.00 -2.62 0.12 0.00 1.00 0.00 0.00 64.86 63.36 1tkv h ILE 11 Cb 0.56 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 1tkv h ILE 11 CO 0.03 0.78 0.44 0.40 0.00 0.00 0.00 178.15 179.80 1tkv h ILE 12 N 0.19 0.85 0.03 -0.67 2.04 0.25 0.25 117.51 120.44 1tkv h ILE 12 Ca -0.10 -0.14 -0.24 0.00 1.00 0.00 0.00 64.86 65.38 1tkv h ILE 12 Cb 1.70 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1tkv h ILE 12 CO 0.18 0.07 -1.19 0.71 0.00 0.00 0.00 178.15 177.92 1tkv h THR 13 N 0.40 1.50 -0.37 -0.27 1.35 -1.51 -1.00 112.91 113.01 1tkv h THR 13 Ca 0.31 -3.21 -0.01 0.00 -0.55 0.00 0.00 66.41 62.96 1tkv h THR 13 Cb 0.68 2.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.87 1tkv h THR 13 CO -0.09 0.88 0.20 0.58 -0.25 0.00 0.00 175.52 176.84 1tkv h VAL 14 N 0.02 1.15 -0.69 6.82 2.07 -1.40 -2.47 116.25 121.75 1tkv h VAL 14 Ca -0.09 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1tkv h VAL 14 Cb 1.86 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1tkv h VAL 14 CO 0.14 0.16 0.22 0.00 0.02 0.00 0.00 177.57 178.11 1tkv h ALA 15 N 1.06 0.90 0.00 1.67 0.00 -0.47 -1.77 119.26 120.64 1tkv h ALA 15 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tkv h ALA 15 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1tkv h ALA 15 CO -0.02 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1tkv n SER 16 N -4.33 0.51 0.20 0.00 3.41 -0.38 -1.94 113.62 111.09 1tkv n SER 16 Ca 0.05 0.64 -0.15 0.00 -0.26 0.00 0.00 58.87 59.15 1tkv n SER 16 Cb 0.21 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.34 1tkv n SER 16 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1tkv h ILE 17 N 0.00 0.66 -0.34 -1.33 1.08 -0.83 -1.48 117.51 115.26 1tkv h ILE 17 Ca 0.00 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1tkv h ILE 17 Cb 0.28 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1tkv h ILE 17 CO 0.00 0.05 0.11 -0.07 -0.69 0.00 0.00 178.15 177.54 1tkv h LEU 18 N -0.60 0.44 -0.10 1.44 4.07 -1.29 -0.89 115.31 118.38 1tkv h LEU 18 Ca -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1tkv h LEU 18 Cb 0.44 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 1tkv h LEU 18 CO 0.08 0.43 -0.09 0.40 -1.08 0.00 0.00 178.44 178.18 1tkv h ILE 19 N 0.49 0.15 -0.74 1.22 2.04 -1.50 0.38 117.51 119.55 1tkv h ILE 19 Ca 0.12 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1tkv h ILE 19 Cb 0.15 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1tkv h ILE 19 CO -0.01 0.09 0.26 0.50 0.00 0.00 0.00 178.15 178.99 1tkv h LYS 20 N 0.00 1.13 -0.12 2.37 3.64 -0.08 -2.93 116.57 120.57 1tkv h LYS 20 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1tkv h LYS 20 Cb 1.03 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1tkv h LYS 20 CO 0.01 0.95 0.00 1.19 -2.27 0.00 0.00 179.45 179.33 1tkv n PHE 21 N -4.29 0.15 -2.70 1.91 3.72 -0.66 -4.93 117.46 110.65 1tkv n PHE 21 Ca 0.06 -0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1tkv n PHE 21 Cb 0.21 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.21 -5.94 -2.25 4.37 2.88 -0.34 -4.92 113.62 107.62 1tkv n SER 22 Ca 0.17 -0.14 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 1tkv n SER 22 Cb 0.32 -4.88 0.08 0.00 -0.75 0.00 0.00 64.21 58.98 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 -3.50 2.82 0.25 -1.46 5.12 0.12 -4.75 116.66 115.25 1tkv n ARG 23 Ca -0.18 -3.43 0.17 0.00 -1.93 0.00 0.00 57.85 52.48 1tkv n ARG 23 Cb 0.65 -2.28 0.86 0.00 -1.16 0.00 0.00 32.46 30.54 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 1.97 0.00 -0.86 5.56 -0.00 -1.92 -2.84 114.58 116.49 1tkv h GLU 24 Ca 0.56 0.00 0.30 0.00 -0.00 0.00 0.00 59.36 60.22 1tkv h GLU 24 Cb 1.03 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.63 1tkv h GLU 24 CO 1.42 0.00 0.25 -0.25 -0.00 0.00 0.00 179.01 180.42 1tkv n ASP 25 N -2.68 0.10 -0.02 3.06 9.92 -1.26 -0.51 116.55 125.16 1tkv n ASP 25 Ca -0.02 1.45 -0.13 0.00 -0.53 0.00 0.00 54.79 55.56 1tkv n ASP 25 Cb 0.09 -0.62 -0.10 0.00 -0.64 0.00 0.00 41.12 39.85 1tkv n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1tkv h ILE 26 N 0.00 1.40 -0.88 0.53 2.04 -1.87 -3.32 117.51 115.41 1tkv h ILE 26 Ca 0.63 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1tkv h ILE 26 Cb 1.52 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 39.74 1tkv h ILE 26 CO -0.74 0.32 0.51 0.58 0.00 0.00 0.00 178.15 178.82 1tkv h VAL 27 N -0.45 1.25 0.00 1.67 2.07 -1.32 -2.90 116.25 116.57 1tkv h VAL 27 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1tkv h VAL 27 Cb 0.54 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1tkv h VAL 27 CO 0.00 0.27 0.00 -0.08 0.02 0.00 0.00 177.57 177.78 1tkv h GLU 28 N 1.22 0.00 -4.89 1.57 4.81 -0.90 -3.39 114.58 112.99 1tkv h GLU 28 Ca 0.31 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.87 1tkv h GLU 28 Cb -0.02 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.05 1tkv h GLU 28 CO -0.06 0.00 -0.73 1.21 -0.73 0.00 0.00 179.01 178.71 1tkv s ASN 29 N -5.03 4.45 0.07 1.04 3.84 -1.10 -4.73 114.94 113.48 1tkv s ASN 29 Ca -0.02 -0.85 -0.13 0.00 0.21 0.00 0.00 52.86 52.07 1tkv s ASN 29 Cb 0.11 -1.70 -0.03 0.00 -0.55 0.00 0.00 41.25 39.08 1tkv s ASN 29 CO 0.41 -0.14 0.91 -1.14 -2.79 0.00 0.00 177.10 174.35 1tkv n ARG 30 N 4.70 -0.18 0.12 0.43 0.63 -0.80 -1.58 116.66 119.97 1tkv n ARG 30 Ca -0.16 0.90 0.13 0.00 -0.92 0.00 0.00 57.85 57.79 1tkv n ARG 30 Cb 0.47 -1.33 0.43 0.00 0.45 0.00 0.00 32.46 32.48 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 -0.05 1.00 0.12 5.13 0.00 -1.93 -2.60 119.26 120.92 1tkv h ALA 31 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 1tkv h ALA 31 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1tkv h ALA 31 CO -0.39 0.00 -1.68 -0.91 0.00 0.00 0.00 179.25 176.27 1tkv h ASN 32 N 0.00 0.38 0.14 0.00 -0.26 -1.69 -2.95 115.58 111.20 1tkv h ASN 32 Ca 0.00 -0.62 0.01 0.00 -0.56 0.00 0.00 56.30 55.13 1tkv h ASN 32 Cb 0.64 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.75 1tkv h ASN 32 CO 0.00 1.53 -0.21 0.15 -1.06 0.00 0.00 177.43 177.84 1tkv h PHE 33 N 0.07 -0.56 -0.82 1.19 3.57 -1.25 -0.95 116.94 118.18 1tkv h PHE 33 Ca -0.30 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.33 1tkv h PHE 33 Cb 2.03 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 40.92 1tkv h PHE 33 CO 0.06 -0.31 0.44 0.82 -2.23 0.00 0.00 178.31 177.09 1tkv h ILE 34 N -0.42 0.80 0.00 1.41 2.04 -1.58 0.28 117.51 120.04 1tkv h ILE 34 Ca 0.02 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1tkv h ILE 34 Cb 0.42 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1tkv h ILE 34 CO -0.10 0.12 -0.21 0.00 0.00 0.00 0.00 178.15 177.97 1tkv h ALA 35 N 1.51 1.18 -0.11 1.87 0.00 -1.37 -1.65 119.26 120.70 1tkv h ALA 35 Ca 0.43 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1tkv h ALA 35 Cb 0.52 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1tkv h ALA 35 CO -0.31 0.26 -0.70 0.35 0.00 0.00 0.00 179.25 178.84 1tkv h PHE 36 N 0.00 0.91 -0.97 0.00 3.57 0.29 -2.17 116.94 118.57 1tkv h PHE 36 Ca -0.00 -0.42 0.10 0.00 3.53 0.00 0.00 57.97 61.17 1tkv h PHE 36 Cb 0.56 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1tkv h PHE 36 CO 0.00 1.24 0.62 -0.07 -2.23 0.00 0.00 178.31 177.87 1tkv h LEU 37 N 0.33 0.93 -0.16 0.59 3.38 -0.09 -0.52 115.31 119.76 1tkv h LEU 37 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1tkv h LEU 37 Cb 1.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1tkv h LEU 37 CO 0.14 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.81 1tkv n ASN 38 N -4.55 0.69 -0.04 -0.43 3.02 -0.66 -1.41 115.26 111.88 1tkv n ASN 38 Ca 0.17 0.59 -0.10 0.00 -0.03 0.00 0.00 54.58 55.21 1tkv n ASN 38 Cb 0.28 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 1tkv n ASN 38 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tkv h GLU 39 N 0.00 -0.05 -0.00 3.52 5.08 -0.46 -3.37 114.58 119.30 1tkv h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tkv h GLU 39 Cb 0.62 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1tkv h GLU 39 CO 0.00 0.56 -0.22 0.44 -1.00 0.00 0.00 179.01 178.79 1tkv n ILE 40 N -4.73 0.00 -1.91 3.13 -0.00 -0.60 -4.96 119.36 110.28 1tkv n ILE 40 Ca -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 1tkv n ILE 40 Cb 0.30 0.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.99 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 1.38 0.49 3.55 3.28 0.00 -0.57 -5.03 105.19 108.29 1tkv n GLY 41 Ca 0.11 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.88 4.57 -0.16 1.61 1.01 -0.50 -5.02 120.40 119.03 1tkv s VAL 42 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 1tkv s VAL 42 Cb 0.00 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1tkv s VAL 42 CO 0.00 -0.78 0.06 0.42 0.00 0.00 0.00 175.10 174.79 1tkv s THR 43 N 3.49 4.75 0.00 3.92 -4.23 -1.26 -4.35 115.64 117.96 1tkv s THR 43 Ca 0.33 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1tkv s THR 43 Cb -0.11 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1tkv s THR 43 CO 0.24 0.50 0.00 1.57 -0.54 0.00 0.00 174.62 176.38 1tkv n HIS 44 N 3.22 0.00 -1.24 3.99 -0.00 -1.07 -4.50 115.22 115.61 1tkv n HIS 44 Ca -0.17 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.80 1tkv n HIS 44 Cb 0.53 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.34 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 0.00 2.15 -0.95 1.57 4.71 -1.26 -4.57 120.64 122.29 1tkv n GLU 45 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 57.16 55.30 1tkv n GLU 45 Cb 0.00 -1.97 0.00 0.00 -1.01 0.00 0.00 31.44 28.46 1tkv n GLU 45 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1tkv n GLY 46 N 1.09 0.50 3.36 0.62 0.00 -1.26 -5.02 105.19 104.48 1tkv n GLY 46 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.44 1.34 0.37 1.61 0.52 -1.26 -5.04 118.95 116.05 1tkv s ARG 47 Ca 0.00 -1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 53.58 1tkv s ARG 47 Cb 0.00 -1.61 -0.10 0.00 0.52 0.00 0.00 34.95 33.76 1tkv s ARG 47 CO 0.00 0.35 0.97 0.15 0.02 0.00 0.00 175.30 176.80 1tkv s LYS 48 N -2.44 4.40 -0.04 3.54 1.02 -1.26 -2.61 119.74 122.36 1tkv s LYS 48 Ca 0.15 1.33 -0.18 0.00 0.02 0.00 0.00 55.97 57.29 1tkv s LYS 48 Cb -0.08 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1tkv s LYS 48 CO 0.07 0.11 0.50 -1.17 -0.92 0.00 0.00 175.35 173.94 1tkv s LEU 49 N -2.45 4.39 0.37 3.17 0.20 -1.26 -4.92 118.68 118.18 1tkv s LEU 49 Ca 0.55 0.99 -0.04 0.00 0.69 0.00 0.00 54.13 56.32 1tkv s LEU 49 Cb -0.17 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.79 1tkv s LEU 49 CO 0.22 0.14 0.63 0.20 -0.29 0.00 0.00 176.35 177.25 1tkv s ASN 50 N -0.19 6.36 0.17 3.68 -0.87 -1.26 -4.84 114.94 118.00 1tkv s ASN 50 Ca 0.27 0.73 -0.11 0.00 -1.57 0.00 0.00 52.86 52.19 1tkv s ASN 50 Cb -0.17 -2.15 0.06 0.00 -0.02 0.00 0.00 41.25 38.97 1tkv s ASN 50 CO 0.14 -0.35 1.66 -0.61 -2.57 0.00 0.00 177.10 175.37 1tkv h GLN 51 N 0.98 0.98 0.21 -0.60 4.15 -1.96 0.15 115.11 119.03 1tkv h GLN 51 Ca -0.48 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 58.66 1tkv h GLN 51 Cb 1.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1tkv h GLN 51 CO 0.63 0.94 -0.10 -2.95 -1.93 0.00 0.00 178.83 175.42 1tkv h ASN 52 N 0.88 -0.24 -0.03 -0.69 7.08 -2.00 -3.11 115.58 117.46 1tkv h ASN 52 Ca 0.18 -0.25 0.01 0.00 -3.08 0.00 0.00 56.30 53.16 1tkv h ASN 52 Cb 0.44 0.06 -0.00 0.00 -2.08 0.00 0.00 38.32 36.75 1tkv h ASN 52 CO 0.01 0.16 0.04 0.28 -2.08 0.00 0.00 177.43 175.84 1tkv h SER 53 N -0.69 0.00 -0.10 6.14 0.02 -1.96 -2.00 113.55 114.95 1tkv h SER 53 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1tkv h SER 53 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1tkv h SER 53 CO 0.05 0.00 0.07 0.15 -1.14 0.00 0.00 176.83 175.96 1tkv h PHE 54 N 0.00 0.13 -0.00 3.45 3.57 -0.97 -2.59 116.94 120.53 1tkv h PHE 54 Ca 0.02 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1tkv h PHE 54 Cb 0.10 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1tkv h PHE 54 CO 0.00 0.09 -0.40 -0.09 -2.23 0.00 0.00 178.31 175.68 1tkv h ARG 55 N 0.13 0.01 -0.21 1.11 2.43 -1.30 -1.99 114.38 114.56 1tkv h ARG 55 Ca 0.04 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1tkv h ARG 55 Cb -0.00 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1tkv h ARG 55 CO -0.01 0.41 -0.14 1.57 -1.51 0.00 0.00 179.97 180.29 1tkv h LYS 56 N 0.00 0.47 -0.22 0.20 2.10 -1.50 -2.83 116.57 114.80 1tkv h LYS 56 Ca -0.00 -0.22 0.02 0.00 -2.00 0.00 0.00 60.65 58.44 1tkv h LYS 56 Cb 0.71 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.02 1tkv h LYS 56 CO 0.05 0.77 0.09 -0.84 -2.00 0.00 0.00 179.45 177.53 1tkv h ILE 57 N 0.16 0.98 -0.01 0.07 3.07 -1.01 -0.31 117.51 120.46 1tkv h ILE 57 Ca 0.04 -0.07 -0.17 0.00 1.55 0.00 0.00 64.86 66.21 1tkv h ILE 57 Cb 0.65 0.75 -0.02 0.00 -0.27 0.00 0.00 36.82 37.94 1tkv h ILE 57 CO 0.04 0.04 -0.77 -0.37 -1.05 0.00 0.00 178.15 176.04 1tkv h VAL 58 N 0.21 1.49 0.00 0.16 -1.51 -1.49 -3.35 116.25 111.77 1tkv h VAL 58 Ca 0.09 -2.48 -0.15 0.00 -1.23 0.00 0.00 66.70 62.93 1tkv h VAL 58 Cb 0.04 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 1tkv h VAL 58 CO -0.07 0.72 -0.91 0.28 -1.23 0.00 0.00 177.57 176.35 1tkv h SER 59 N 0.07 0.00 -0.42 4.19 0.02 -1.44 -3.42 113.55 112.55 1tkv h SER 59 Ca -0.02 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1tkv h SER 59 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1tkv h SER 59 CO 0.11 1.27 0.00 -1.84 -1.14 0.00 0.00 176.83 175.23 1tkv n GLU 60 N -4.50 2.14 -1.17 3.45 0.28 -0.13 -4.90 120.64 115.81 1tkv n GLU 60 Ca -0.24 -1.58 -0.38 0.00 -0.16 0.00 0.00 57.16 54.80 1tkv n GLU 60 Cb 0.56 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 32.03 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 0.72 -2.31 -4.79 -1.84 4.77 -1.26 -4.99 117.00 107.31 1tkv n LEU 61 Ca 0.15 0.77 -0.29 0.00 -0.03 0.00 0.00 56.01 56.60 1tkv n LEU 61 Cb 0.41 -0.79 0.17 0.00 -2.33 0.00 0.00 43.42 40.88 1tkv n LEU 61 CO 0.11 -3.55 0.74 0.42 -1.33 0.00 0.00 177.39 173.78 1tkv s THR 62 N -1.39 1.90 0.19 -5.08 -4.23 -1.26 -4.87 115.64 100.91 1tkv s THR 62 Ca 0.53 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 1tkv s THR 62 Cb -0.61 -2.77 0.10 0.00 1.34 0.00 0.00 72.50 70.56 1tkv s THR 62 CO 0.55 0.00 1.69 1.56 -0.54 0.00 0.00 174.62 177.88 1tkv h GLN 63 N -1.79 1.10 -0.11 3.99 1.08 -1.99 -2.38 115.11 115.01 1tkv h GLN 63 Ca -0.47 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 56.47 1tkv h GLN 63 Cb 1.29 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 1tkv h GLN 63 CO 0.48 1.00 -0.05 0.93 -0.95 0.00 0.00 178.83 180.24 1tkv h GLU 64 N 1.02 -0.03 -0.56 1.46 5.08 -1.98 -1.08 114.58 118.48 1tkv h GLU 64 Ca 0.21 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1tkv h GLU 64 Cb 0.42 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1tkv h GLU 64 CO 0.01 -0.02 0.37 -0.44 -1.00 0.00 0.00 179.01 177.93 1tkv h ASP 65 N -0.03 0.51 -0.06 1.42 3.32 -1.90 0.22 116.42 119.91 1tkv h ASP 65 Ca 0.06 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1tkv h ASP 65 Cb 0.12 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1tkv h ASP 65 CO -0.13 0.35 -0.29 0.11 -1.72 0.00 0.00 179.24 177.56 1tkv h LYS 66 N 0.59 0.30 -0.08 3.56 1.57 -1.30 -2.78 116.57 118.44 1tkv h LYS 66 Ca 0.23 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1tkv h LYS 66 Cb 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1tkv h LYS 66 CO -0.06 0.89 -0.28 0.87 -0.57 0.00 0.00 179.45 180.29 1tkv h LYS 67 N -0.22 0.14 -0.82 3.15 1.79 -0.69 -2.32 116.57 117.59 1tkv h LYS 67 Ca -0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1tkv h LYS 67 Cb 0.95 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 1tkv h LYS 67 CO 0.06 0.41 0.48 1.15 -1.08 0.00 0.00 179.45 180.48 1tkv h THR 68 N 0.12 1.23 -0.02 -0.16 2.02 -0.59 -1.29 112.91 114.24 1tkv h THR 68 Ca 0.02 -0.53 -0.17 0.00 0.77 0.00 0.00 66.41 66.49 1tkv h THR 68 Cb 0.57 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1tkv h THR 68 CO 0.04 0.25 -0.77 -0.07 0.37 0.00 0.00 175.52 175.35 1tkv h LEU 69 N 1.14 0.20 -1.83 2.58 3.38 -1.19 -2.96 115.31 116.63 1tkv h LEU 69 Ca 0.29 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1tkv h LEU 69 Cb -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1tkv h LEU 69 CO -0.05 0.89 -0.13 0.40 0.09 0.00 0.00 178.44 179.63 1tkv h ILE 70 N 0.10 0.92 -0.07 1.22 2.04 -1.17 -0.06 117.51 120.49 1tkv h ILE 70 Ca -0.02 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1tkv h ILE 70 Cb 1.34 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1tkv h ILE 70 CO 0.11 0.13 -0.01 0.44 0.00 0.00 0.00 178.15 178.83 1tkv h ASP 71 N 0.00 0.13 0.00 1.72 3.32 -1.08 -3.33 116.42 117.19 1tkv h ASP 71 Ca -0.00 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.57 1tkv h ASP 71 Cb 0.26 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1tkv h ASP 71 CO 0.02 0.43 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.64 1tkv h GLU 72 N -0.18 0.00 -2.93 3.56 5.08 -1.44 -3.40 114.58 115.27 1tkv h GLU 72 Ca 0.02 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.66 1tkv h GLU 72 Cb 0.37 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1tkv h GLU 72 CO 0.00 0.65 2.78 1.19 -1.00 0.00 0.00 179.01 182.63 1tkv n PHE 73 N -4.50 2.65 0.22 4.33 3.01 -0.06 -4.79 117.46 118.33 1tkv n PHE 73 Ca -0.23 -2.90 -0.10 0.00 1.01 0.00 0.00 57.45 55.23 1tkv n PHE 73 Cb 0.53 -2.06 -0.05 0.00 -0.01 0.00 0.00 39.48 37.89 1tkv n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1tkv h ASN 74 N 4.95 -0.66 0.36 4.37 2.35 -1.73 -0.72 115.58 124.49 1tkv h ASN 74 Ca 0.70 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.48 1tkv h ASN 74 Cb 0.36 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1tkv h ASN 74 CO 1.61 -0.39 -0.31 -0.08 -1.65 0.00 0.00 177.43 176.60 1tkv h GLU 75 N -0.62 -0.66 0.65 0.81 4.81 -1.92 -3.10 114.58 114.55 1tkv h GLU 75 Ca -0.05 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1tkv h GLU 75 Cb 0.50 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1tkv h GLU 75 CO 0.04 -0.44 -0.31 0.78 -0.73 0.00 0.00 179.01 178.35 1tkv h GLY 76 N -0.68 -0.92 1.99 1.92 0.00 -1.94 -3.14 103.07 100.30 1tkv h GLY 76 Ca -0.03 0.34 -0.20 0.00 0.00 0.00 0.00 47.33 47.45 1tkv h GLY 76 CO -0.03 -0.33 -0.94 -2.75 0.00 0.00 0.00 176.54 172.49 1tkv h PHE 77 N -1.01 0.01 -0.28 5.60 3.04 -1.27 0.51 116.94 123.54 1tkv h PHE 77 Ca -0.09 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.91 1tkv h PHE 77 Cb 0.71 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 1tkv h PHE 77 CO -0.01 0.94 -0.07 0.93 -2.02 0.00 0.00 178.31 178.08 1tkv h GLU 78 N 0.00 -0.00 0.00 1.11 4.39 -1.64 0.24 114.58 118.69 1tkv h GLU 78 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1tkv h GLU 78 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1tkv h GLU 78 CO 0.12 -0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 1tkv n GLY 79 N -1.25 -2.51 0.25 -3.84 0.00 -1.10 -3.21 105.19 93.54 1tkv n GLY 79 Ca -0.00 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.00 1.61 -1.51 -0.90 -2.27 116.25 113.19 1tkv h VAL 80 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1tkv h VAL 80 Cb 0.00 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1tkv h VAL 80 CO 0.00 0.00 -0.24 0.22 -1.23 0.00 0.00 177.57 176.32 1tkv h TYR 81 N 0.00 0.00 -0.29 5.19 3.20 -0.64 0.23 116.97 124.66 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 0.54 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1tkv h TYR 81 CO 0.00 0.00 -0.43 0.00 -1.64 0.00 0.00 178.16 176.09 1tkv h ARG 82 N 0.00 0.73 0.58 1.82 2.47 -1.37 -2.48 114.38 116.13 1tkv h ARG 82 Ca 0.00 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.30 1tkv h ARG 82 Cb 0.79 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1tkv h ARG 82 CO 0.00 1.02 -0.28 1.88 0.56 0.00 0.00 179.97 183.14 1tkv h TYR 83 N 0.59 -0.73 -0.32 3.04 -1.99 -1.46 -2.16 116.97 113.94 1tkv h TYR 83 Ca 0.04 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.85 1tkv h TYR 83 Cb 0.98 0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.94 1tkv h TYR 83 CO 0.05 -0.45 0.25 -0.07 -0.00 0.00 0.00 178.16 177.94 1tkv h LEU 84 N -0.99 0.00 -0.26 3.88 3.38 -0.68 -1.97 115.31 118.67 1tkv h LEU 84 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1tkv h LEU 84 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1tkv h LEU 84 CO 0.13 0.00 -0.44 -0.08 0.09 0.00 0.00 178.44 178.14 1tkv h GLU 85 N 0.00 0.75 0.00 1.13 4.81 -1.15 -3.30 114.58 116.81 1tkv h GLU 85 Ca 0.15 -0.46 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 1tkv h GLU 85 Cb 0.66 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1tkv h GLU 85 CO -0.00 1.09 -0.87 0.00 -0.73 0.00 0.00 179.01 178.49 1tkv h MET 86 N 0.49 0.00 0.00 1.92 -0.00 -1.04 -3.35 114.93 112.95 1tkv h MET 86 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 1tkv h MET 86 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.64 1tkv h MET 86 CO 0.10 0.23 0.00 0.66 -0.00 0.00 0.00 176.91 177.90 1tkv n TYR 87 N -2.95 0.00 -3.49 -0.10 4.01 -0.77 -3.89 117.16 109.97 1tkv n TYR 87 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1tkv n TYR 87 Cb 0.70 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 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 -2.10 5.01 -0.21 -0.72 -1.32 -1.25 -1.91 115.64 113.13 1tkv s THR 88 Ca 0.41 -3.10 -0.22 0.00 -1.21 0.00 0.00 61.69 57.57 1tkv s THR 88 Cb 0.20 -4.10 -0.02 0.00 -1.51 0.00 0.00 72.50 67.07 1tkv s THR 88 CO 0.35 -1.04 0.68 0.20 -2.21 0.00 0.00 174.62 172.60 1tkv s ASN 89 N 1.14 6.72 0.00 8.08 0.01 -1.25 -5.06 114.94 124.58 1tkv s ASN 89 Ca 0.23 0.89 0.24 0.00 -0.71 0.00 0.00 52.86 53.50 1tkv s ASN 89 Cb -0.12 -2.37 0.21 0.00 0.41 0.00 0.00 41.25 39.38 1tkv s ASN 89 CO -0.08 -0.34 1.27 0.29 -1.51 0.00 0.00 177.10 176.73