#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8b n GLY 8 N 0.00 0.00 0.00 -0.72 0.00 -1.26 -5.02 105.19 98.19 1j8b n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j8b n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j8b n GLY 9 N 0.00 2.14 0.65 -0.02 0.00 -1.26 -4.56 105.19 102.15 1j8b n GLY 9 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1j8b n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8b n LEU 10 N 0.00 0.63 0.00 0.99 4.77 -1.26 -1.65 117.00 120.49 1j8b n LEU 10 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1j8b n LEU 10 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1j8b n LEU 10 CO 0.00 0.13 0.00 1.17 -1.33 0.00 0.00 177.39 177.36 1j8b n LYS 12 N 0.46 0.00 -0.28 3.23 4.81 -1.26 -0.66 118.16 124.45 1j8b n LYS 12 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1j8b n LYS 12 Cb 0.13 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.46 1j8b n LYS 12 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1j8b h GLN 13 N 0.00 0.91 -0.54 1.64 4.20 -1.62 -1.05 115.11 118.65 1j8b h GLN 13 Ca 0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1j8b h GLN 13 Cb 0.00 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1j8b h GLN 13 CO 0.00 0.60 -0.10 0.00 -0.67 0.00 0.00 178.83 178.66 1j8b h ALA 14 N 1.54 0.81 0.39 3.87 0.00 -1.16 -3.18 119.26 121.53 1j8b h ALA 14 Ca 0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j8b h ALA 14 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j8b h ALA 14 CO -0.16 0.66 -0.41 0.37 0.00 0.00 0.00 179.25 179.72 1j8b h GLN 15 N 0.90 -0.77 -1.76 0.00 5.75 -1.57 -2.27 115.11 115.39 1j8b h GLN 15 Ca 0.14 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1j8b h GLN 15 Cb 0.66 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1j8b h GLN 15 CO 0.05 -0.52 0.00 1.04 -2.65 0.00 0.00 178.83 176.75 1j8b n GLN 16 N -4.87 0.00 0.00 1.69 6.02 -0.49 -1.38 117.38 118.35 1j8b n GLN 16 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1j8b n GLN 16 Cb 0.37 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1j8b n GLN 16 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1j8b n GLN 18 N 0.93 0.00 -0.17 -1.09 1.13 -0.86 -0.16 117.38 117.17 1j8b n GLN 18 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1j8b n GLN 18 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1j8b n GLN 18 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1j8b h GLU 19 N 0.00 0.96 -1.69 -1.09 5.08 -1.52 -1.96 114.58 114.36 1j8b h GLU 19 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1j8b h GLU 19 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1j8b h GLU 19 CO 0.00 1.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.68 1j8b n LYS 20 N -4.19 0.52 0.00 2.33 4.76 0.78 -0.63 118.16 121.73 1j8b n LYS 20 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1j8b n LYS 20 Cb 0.41 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1j8b n LYS 20 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1j8b n GLN 22 N 1.15 0.00 0.00 1.97 7.27 -0.74 -4.63 117.38 122.40 1j8b n GLN 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1j8b n GLN 22 Cb 0.26 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.91 1j8b n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1j8b n LYS 23 N 0.00 0.00 0.00 3.69 4.81 0.20 -1.49 118.16 125.38 1j8b n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j8b n LYS 23 Cb 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1j8b n LYS 23 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j8b n GLN 25 N 0.61 0.00 -0.11 1.64 6.02 -1.26 -1.49 117.38 122.78 1j8b n GLN 25 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1j8b n GLN 25 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1j8b n GLN 25 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1j8b h GLU 26 N 0.00 0.85 0.22 -1.09 5.08 -1.66 -1.31 114.58 116.68 1j8b h GLU 26 Ca 0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1j8b h GLU 26 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1j8b h GLU 26 CO 0.00 1.00 -0.11 1.49 -1.00 0.00 0.00 179.01 180.39 1j8b h GLU 27 N 0.74 -0.29 -0.84 2.33 4.81 -1.53 -2.53 114.58 117.27 1j8b h GLU 27 Ca 0.10 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.50 1j8b h GLU 27 Cb 0.77 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.12 1j8b h GLU 27 CO 0.06 -0.09 0.42 0.82 -0.73 0.00 0.00 179.01 179.49 1j8b h ILE 28 N -0.44 0.70 0.00 2.32 2.04 -1.81 0.11 117.51 120.43 1j8b h ILE 28 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1j8b h ILE 28 Cb 0.33 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1j8b h ILE 28 CO 0.05 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1j8b n ALA 29 N -2.44 1.53 0.57 1.87 0.00 -0.50 -2.15 120.51 119.39 1j8b n ALA 29 Ca 0.17 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1j8b n ALA 29 Cb 0.45 -1.16 0.23 0.00 0.00 0.00 0.00 19.45 18.97 1j8b n ALA 29 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1j8b h GLN 30 N 0.00 0.00 -7.18 0.00 1.08 -0.38 0.15 115.11 108.77 1j8b h GLN 30 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1j8b h GLN 30 Cb 0.15 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.65 1j8b h GLN 30 CO 0.00 0.00 0.38 -0.51 -0.95 0.00 0.00 178.83 177.75 1j8b s LEU 31 N -4.38 3.49 0.09 1.46 1.43 -0.91 -4.77 118.68 115.09 1j8b s LEU 31 Ca 0.07 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1j8b s LEU 31 Cb 0.13 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1j8b s LEU 31 CO 0.69 -1.34 0.07 -1.61 0.23 0.00 0.00 176.35 174.39 1j8b s GLU 32 N -3.98 2.84 0.11 1.70 2.02 -1.26 -3.04 118.70 117.09 1j8b s GLU 32 Ca 0.66 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.97 1j8b s GLU 32 Cb -0.18 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1j8b s GLU 32 CO 0.37 0.55 -0.13 0.14 0.02 0.00 0.00 175.26 176.22 1j8b s VAL 33 N -1.42 1.20 -0.25 2.63 -7.23 -0.11 -4.99 120.40 110.23 1j8b s VAL 33 Ca 0.29 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1j8b s VAL 33 Cb -0.12 -1.47 0.06 0.00 0.56 0.00 0.00 36.38 35.41 1j8b s VAL 33 CO 0.22 -0.46 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.55 1j8b s THR 34 N -2.23 2.00 0.55 5.32 2.01 -1.26 -1.62 115.64 120.41 1j8b s THR 34 Ca 0.08 -1.47 -0.06 0.00 0.31 0.00 0.00 61.69 60.55 1j8b s THR 34 Cb -0.04 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1j8b s THR 34 CO 0.02 -0.00 0.87 -0.83 -0.69 0.00 0.00 174.62 173.99 1j8b s GLY 35 N 1.19 1.57 0.12 4.40 0.00 0.78 -4.83 107.32 110.55 1j8b s GLY 35 Ca -0.07 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 1j8b s GLY 35 CO -0.06 -0.37 0.29 -1.83 0.00 0.00 0.00 173.10 171.13 1j8b s GLU 36 N -4.91 0.98 0.07 2.90 4.04 -1.26 -0.24 118.70 120.29 1j8b s GLU 36 Ca 0.52 -0.90 0.00 0.00 0.04 0.00 0.00 54.97 54.63 1j8b s GLU 36 Cb -0.10 0.40 -0.04 0.00 0.02 0.00 0.00 34.13 34.40 1j8b s GLU 36 CO 0.45 -0.35 -0.05 -1.54 -1.84 0.00 0.00 175.26 171.93 1j8b s SER 37 N -2.86 0.79 -1.04 0.83 1.04 -0.42 -4.47 113.70 107.57 1j8b s SER 37 Ca 0.06 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.46 1j8b s SER 37 Cb 0.03 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1j8b s SER 37 CO -0.10 -0.51 0.90 0.61 0.98 0.00 0.00 173.24 175.12 1j8b n GLY 38 N 0.14 -0.20 4.15 7.32 0.00 -1.26 -1.58 105.19 113.76 1j8b n GLY 38 Ca -0.14 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1j8b n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8b n ALA 39 N -4.35 -1.47 -0.16 4.61 0.00 -1.26 -1.83 120.51 116.04 1j8b n ALA 39 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1j8b n ALA 39 Cb 0.55 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1j8b n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j8b n GLY 40 N -1.60 0.70 0.36 0.00 0.00 -1.05 -4.97 105.19 98.64 1j8b n GLY 40 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1j8b n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j8b h LEU 41 N 0.00 0.92 -7.91 0.99 3.38 -0.51 -3.40 115.31 108.78 1j8b h LEU 41 Ca 0.00 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.49 1j8b h LEU 41 Cb 0.00 -0.21 -0.33 0.00 0.09 0.00 0.00 40.66 40.20 1j8b h LEU 41 CO 0.00 0.63 -0.80 -0.69 0.09 0.00 0.00 178.44 177.67 1j8b s VAL 42 N -5.91 0.92 -0.07 1.22 1.01 -1.04 -1.36 120.40 115.17 1j8b s VAL 42 Ca -0.11 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1j8b s VAL 42 Cb 0.19 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1j8b s VAL 42 CO 0.79 0.31 -0.14 -0.54 0.00 0.00 0.00 175.10 175.52 1j8b s LYS 43 N 0.68 1.86 -0.06 2.72 1.02 -0.74 -1.30 119.74 123.91 1j8b s LYS 43 Ca -0.13 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1j8b s LYS 43 Cb -0.15 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.66 1j8b s LYS 43 CO 0.02 0.05 -0.13 0.42 -0.92 0.00 0.00 175.35 174.80 1j8b s ILE 44 N 0.59 1.20 -0.19 2.17 1.01 0.67 -0.74 121.20 125.92 1j8b s ILE 44 Ca -0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1j8b s ILE 44 Cb -0.16 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1j8b s ILE 44 CO 0.04 0.37 -0.00 -0.89 0.00 0.00 0.00 174.94 174.45 1j8b s THR 45 N 0.50 3.99 0.13 2.92 2.01 0.17 -0.16 115.64 125.21 1j8b s THR 45 Ca -0.12 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1j8b s THR 45 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1j8b s THR 45 CO 0.03 0.44 -0.05 0.27 -0.69 0.00 0.00 174.62 174.63 1j8b s ILE 46 N 0.81 0.75 0.10 1.82 -4.36 -0.64 0.15 121.20 119.84 1j8b s ILE 46 Ca 0.00 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1j8b s ILE 46 Cb -0.14 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.72 1j8b s ILE 46 CO 0.02 -0.72 0.12 -0.46 0.24 0.00 0.00 174.94 174.14 1j8b n ASN 47 N -0.13 0.77 0.24 4.36 0.23 -0.65 -0.94 115.26 119.14 1j8b n ASN 47 Ca -0.10 -1.31 0.08 0.00 -0.53 0.00 0.00 54.58 52.72 1j8b n ASN 47 Cb 0.62 -0.05 0.59 0.00 -2.08 0.00 0.00 39.78 38.86 1j8b n ASN 47 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1j8b h GLY 48 N 0.06 0.00 1.39 4.83 0.00 -0.62 -0.28 103.07 108.45 1j8b h GLY 48 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1j8b h GLY 48 CO 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.61 1j8b n ALA 49 N -2.45 2.55 -2.22 3.60 0.00 -1.23 -4.93 120.51 115.84 1j8b n ALA 49 Ca -0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1j8b n ALA 49 Cb 0.22 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 1j8b n ALA 49 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j8b n HIS 50 N -1.19 -0.52 -2.91 0.00 8.25 -0.12 -5.01 115.22 113.73 1j8b n HIS 50 Ca 0.16 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.22 1j8b n HIS 50 Cb 0.23 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 28.81 1j8b n HIS 50 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j8b s ASN 51 N -2.55 7.11 -0.31 0.41 2.47 -1.26 -4.82 114.94 115.99 1j8b s ASN 51 Ca 0.01 1.34 -0.25 0.00 0.42 0.00 0.00 52.86 54.38 1j8b s ASN 51 Cb -0.00 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1j8b s ASN 51 CO 0.01 -0.21 0.85 0.00 -3.72 0.00 0.00 177.10 174.02 1j8b n ARG 53 N 6.33 0.68 -3.61 0.00 1.74 0.12 -4.99 116.66 116.94 1j8b n ARG 53 Ca 0.05 0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 57.33 1j8b n ARG 53 Cb 0.48 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 1j8b n ARG 53 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1j8b s ARG 54 N -2.50 1.01 -0.02 5.56 1.70 -1.19 -5.01 118.95 118.50 1j8b s ARG 54 Ca -0.28 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 54.63 1j8b s ARG 54 Cb 0.08 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1j8b s ARG 54 CO 0.67 -0.37 -0.05 0.42 -1.08 0.00 0.00 175.30 174.89 1j8b s ILE 55 N -2.72 0.52 -0.24 4.99 1.01 -1.26 -0.66 121.20 122.84 1j8b s ILE 55 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1j8b s ILE 55 Cb -0.00 -0.50 0.07 0.00 0.01 0.00 0.00 42.46 42.04 1j8b s ILE 55 CO -0.04 0.19 -0.02 -0.62 0.00 0.00 0.00 174.94 174.45 1j8b s ASP 56 N 0.39 3.79 -0.23 3.58 -1.08 0.08 -5.00 116.67 118.20 1j8b s ASP 56 Ca -0.05 -1.23 -0.11 0.00 -0.52 0.00 0.00 52.55 50.64 1j8b s ASP 56 Cb -0.09 -1.09 -0.05 0.00 -1.46 0.00 0.00 42.92 40.23 1j8b s ASP 56 CO -0.00 -0.27 0.17 -0.63 0.52 0.00 0.00 175.17 174.96 1j8b s ILE 57 N 1.45 5.36 0.21 4.11 1.01 -1.26 -1.80 121.20 130.28 1j8b s ILE 57 Ca -0.03 0.23 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 1j8b s ILE 57 Cb -0.18 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 1j8b s ILE 57 CO -0.08 0.36 1.66 -0.62 0.00 0.00 0.00 174.94 176.26 1j8b s ASP 58 N 0.93 6.43 0.30 3.58 -1.08 -0.47 -4.88 116.67 121.48 1j8b s ASP 58 Ca 0.09 2.82 0.06 0.00 -0.52 0.00 0.00 52.55 54.99 1j8b s ASP 58 Cb -0.13 -2.60 0.76 0.00 -1.46 0.00 0.00 42.92 39.49 1j8b s ASP 58 CO 0.04 -0.93 1.74 -0.65 0.52 0.00 0.00 175.17 175.89 1j8b h PRO 59 N 6.49 0.57 -0.52 4.34 0.11 -1.97 -1.21 132.00 139.81 1j8b h PRO 59 Ca -0.44 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1j8b h PRO 59 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1j8b h PRO 59 CO 0.92 0.38 0.58 0.66 -0.21 0.00 0.00 178.00 180.32 1j8b h SER 60 N 0.59 0.00 -0.12 -2.05 4.64 -1.98 -3.36 113.55 111.26 1j8b h SER 60 Ca 0.58 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.50 1j8b h SER 60 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1j8b h SER 60 CO -0.45 0.00 1.27 0.18 -0.87 0.00 0.00 176.83 176.96 1j8b n LEU 61 N -3.62 6.69 0.00 5.97 4.77 -0.46 -4.39 117.00 125.95 1j8b n LEU 61 Ca 0.10 -3.73 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 1j8b n LEU 61 Cb 0.77 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1j8b n LEU 61 CO 0.27 1.85 0.00 -0.62 -1.33 0.00 0.00 177.39 177.56 1j8b n GLU 63 N 2.73 0.00 -0.76 3.23 1.02 -1.26 -4.78 120.64 120.82 1j8b n GLU 63 Ca 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1j8b n GLU 63 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1j8b n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j8b n ASP 64 N 0.00 1.90 -4.50 1.62 8.00 -1.26 -5.04 116.55 117.26 1j8b n ASP 64 Ca 0.00 -0.39 -0.55 0.00 0.71 0.00 0.00 54.79 54.56 1j8b n ASP 64 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1j8b n ASP 64 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j8b n ASP 65 N -0.43 0.13 0.23 -2.24 4.64 -1.26 -4.79 116.55 112.84 1j8b n ASP 65 Ca 0.00 1.15 0.15 0.00 -1.38 0.00 0.00 54.79 54.71 1j8b n ASP 65 Cb 0.00 -0.99 0.51 0.00 -1.04 0.00 0.00 41.12 39.60 1j8b n ASP 65 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1j8b h LYS 66 N 2.87 0.00 -1.14 -0.67 2.10 -1.96 -3.25 116.57 114.52 1j8b h LYS 66 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1j8b h LYS 66 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 1j8b h LYS 66 CO 0.66 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 176.20 1j8b n GLU 67 N -2.90 0.03 0.00 0.07 2.13 -1.26 -1.47 120.64 117.24 1j8b n GLU 67 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1j8b n GLU 67 Cb 0.36 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1j8b n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1j8b n LEU 69 N 0.77 0.00 -0.29 4.31 7.94 -1.23 -1.74 117.00 126.77 1j8b n LEU 69 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1j8b n LEU 69 Cb 0.01 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.03 1j8b n LEU 69 CO 0.00 0.00 1.19 -0.33 -1.11 0.00 0.00 177.39 177.14 1j8b h GLU 70 N 0.00 1.06 -0.42 1.96 5.08 -1.58 -0.11 114.58 120.57 1j8b h GLU 70 Ca 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1j8b h GLU 70 Cb 0.00 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1j8b h GLU 70 CO 0.00 0.72 0.14 -0.44 -1.00 0.00 0.00 179.01 178.43 1j8b h ASP 71 N 1.08 0.60 -0.57 1.42 3.32 -1.59 -0.84 116.42 119.83 1j8b h ASP 71 Ca 0.29 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1j8b h ASP 71 Cb -0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1j8b h ASP 71 CO -0.06 0.63 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.00 1j8b h LEU 72 N 0.53 1.01 -0.20 1.55 3.38 -1.72 -2.07 115.31 117.79 1j8b h LEU 72 Ca 0.14 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1j8b h LEU 72 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1j8b h LEU 72 CO -0.01 1.09 0.09 0.40 0.09 0.00 0.00 178.44 180.10 1j8b h ILE 73 N 0.92 1.14 -0.83 1.22 2.04 -0.91 0.62 117.51 121.70 1j8b h ILE 73 Ca 0.16 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1j8b h ILE 73 Cb 0.58 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1j8b h ILE 73 CO 0.03 0.13 0.51 0.00 0.00 0.00 0.00 178.15 178.82 1j8b h ALA 74 N 0.95 1.32 -0.61 1.87 0.00 -1.03 -1.63 119.26 120.13 1j8b h ALA 74 Ca 0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1j8b h ALA 74 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1j8b h ALA 74 CO -0.01 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.84 1j8b h ALA 75 N 1.41 0.82 -0.64 0.00 0.00 -1.00 -1.79 119.26 118.07 1j8b h ALA 75 Ca 0.30 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1j8b h ALA 75 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1j8b h ALA 75 CO -0.06 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.03 1j8b h ALA 76 N 0.99 0.84 -0.28 0.00 0.00 -0.50 -0.92 119.26 119.40 1j8b h ALA 76 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j8b h ALA 76 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j8b h ALA 76 CO 0.03 0.53 0.11 0.74 0.00 0.00 0.00 179.25 180.66 1j8b h PHE 77 N 0.93 0.42 -0.59 0.00 0.05 -1.05 -1.00 116.94 115.70 1j8b h PHE 77 Ca 0.20 -0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.90 1j8b h PHE 77 Cb 0.32 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 1j8b h PHE 77 CO 0.02 0.43 0.12 -0.91 -0.18 0.00 0.00 178.31 177.79 1j8b h ASN 78 N 0.30 0.88 -0.40 2.17 2.35 -1.15 0.64 115.58 120.36 1j8b h ASN 78 Ca 0.09 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1j8b h ASN 78 Cb 0.18 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1j8b h ASN 78 CO -0.01 0.87 0.16 -0.78 -1.65 0.00 0.00 177.43 176.02 1j8b h ASP 79 N 0.89 0.54 -0.52 5.81 3.58 -1.01 -2.03 116.42 123.68 1j8b h ASP 79 Ca 0.19 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1j8b h ASP 79 Cb 0.35 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1j8b h ASP 79 CO 0.00 0.56 0.29 0.00 -2.88 0.00 0.00 179.24 177.21 1j8b h ALA 80 N 1.01 0.67 -0.96 -0.78 0.00 -0.67 -1.13 119.26 117.39 1j8b h ALA 80 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j8b h ALA 80 Cb 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1j8b h ALA 80 CO -0.01 0.19 0.62 0.28 0.00 0.00 0.00 179.25 180.32 1j8b h VAL 81 N 0.70 1.25 -0.50 0.00 2.07 -0.72 0.21 116.25 119.27 1j8b h VAL 81 Ca 0.18 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1j8b h VAL 81 Cb 0.04 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 1j8b h VAL 81 CO -0.03 0.25 0.19 0.03 0.02 0.00 0.00 177.57 178.03 1j8b h ARG 82 N 1.31 0.76 -0.34 1.57 3.08 -0.89 -0.39 114.38 119.47 1j8b h ARG 82 Ca 0.35 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1j8b h ARG 82 Cb -0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1j8b h ARG 82 CO -0.07 0.69 -0.31 0.00 -1.07 0.00 0.00 179.97 179.20 1j8b h ARG 83 N 0.67 0.74 -0.52 0.04 3.08 -0.86 -1.72 114.38 115.81 1j8b h ARG 83 Ca 0.16 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1j8b h ARG 83 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1j8b h ARG 83 CO -0.01 0.95 0.04 0.00 -1.07 0.00 0.00 179.97 179.88 1j8b h ALA 84 N 1.03 0.70 -0.46 0.04 0.00 -0.24 -1.02 119.26 119.31 1j8b h ALA 84 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1j8b h ALA 84 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1j8b h ALA 84 CO 0.07 0.48 0.14 0.93 0.00 0.00 0.00 179.25 180.87 1j8b h GLU 85 N 0.77 0.72 -0.74 0.00 5.08 -0.83 -1.47 114.58 118.11 1j8b h GLU 85 Ca 0.15 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1j8b h GLU 85 Cb 0.47 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1j8b h GLU 85 CO 0.02 0.69 0.48 1.49 -1.00 0.00 0.00 179.01 180.70 1j8b h GLU 86 N 0.61 0.94 -0.48 2.33 4.57 -1.25 -2.60 114.58 118.71 1j8b h GLU 86 Ca 0.15 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1j8b h GLU 86 Cb 0.28 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1j8b h GLU 86 CO -0.00 0.62 0.17 1.25 -1.18 0.00 0.00 179.01 179.87 1j8b h LEU 87 N 0.97 0.68 -0.69 1.64 6.46 -0.73 -1.12 115.31 122.53 1j8b h LEU 87 Ca 0.28 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1j8b h LEU 87 Cb -0.06 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.62 1j8b h LEU 87 CO -0.08 0.69 0.37 1.56 -0.62 0.00 0.00 178.44 180.36 1j8b h GLN 88 N 0.64 0.63 -0.09 1.25 1.08 -0.94 0.20 115.11 117.89 1j8b h GLN 88 Ca 0.16 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1j8b h GLN 88 Cb 0.24 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1j8b h GLN 88 CO -0.01 0.42 -0.07 -0.22 -0.95 0.00 0.00 178.83 178.00 1j8b h LYS 89 N 0.65 0.20 0.18 1.46 3.64 -1.34 -3.32 116.57 118.05 1j8b h LYS 89 Ca 0.32 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1j8b h LYS 89 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1j8b h LYS 89 CO -0.22 0.61 -0.08 1.49 -2.27 0.00 0.00 179.45 178.97 1j8b h GLU 90 N -0.20 -0.23 -1.54 1.90 4.22 -0.77 -1.43 114.58 116.54 1j8b h GLU 90 Ca 0.02 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1j8b h GLU 90 Cb 0.56 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1j8b h GLU 90 CO 0.02 -0.01 0.00 1.63 -2.18 0.00 0.00 179.01 178.47 1j8b n LYS 91 N -5.11 0.15 0.00 1.92 4.76 0.68 -1.19 118.16 119.37 1j8b n LYS 91 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1j8b n LYS 91 Cb 0.18 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1j8b n LYS 91 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j8b n ALA 93 N 0.83 0.00 -0.02 7.82 0.00 -0.54 -0.78 120.51 127.83 1j8b n ALA 93 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1j8b n ALA 93 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1j8b n ALA 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j8b h SER 94 N 0.00 0.09 -0.54 0.00 0.87 -1.40 -3.16 113.55 109.41 1j8b h SER 94 Ca 0.00 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1j8b h SER 94 Cb 0.00 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1j8b h SER 94 CO 0.00 0.50 0.31 0.58 -0.53 0.00 0.00 176.83 177.68 1j8b h VAL 95 N -0.32 1.01 -0.32 2.23 2.07 -1.22 -2.99 116.25 116.71 1j8b h VAL 95 Ca 0.01 -0.21 -0.58 0.00 0.82 0.00 0.00 66.70 66.74 1j8b h VAL 95 Cb 0.47 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1j8b h VAL 95 CO 0.01 0.11 2.51 0.35 0.02 0.00 0.00 177.57 180.56 1j8b n THR 96 N -4.82 4.20 -0.81 2.57 -2.24 -1.19 -4.85 114.28 107.15 1j8b n THR 96 Ca 0.05 -2.78 -0.10 0.00 -2.27 0.00 0.00 64.05 58.95 1j8b n THR 96 Cb 0.11 -2.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.00 1j8b n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8b n ALA 97 N 2.78 0.22 -0.21 6.98 0.00 -1.13 -4.95 120.51 124.20 1j8b n ALA 97 Ca 0.67 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1j8b n ALA 97 Cb 0.39 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1j8b n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91