#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k19 n GLY 2 N 0.00 2.82 3.36 3.03 0.00 -1.26 -4.96 105.19 108.18 2k19 n GLY 2 Ca 0.00 -1.54 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 2k19 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k19 s LYS 3 N -5.01 3.82 0.74 1.61 -0.14 -1.26 -5.04 119.74 114.46 2k19 s LYS 3 Ca 0.00 -2.60 -0.07 0.00 -1.36 0.00 0.00 55.97 51.94 2k19 s LYS 3 Cb 0.00 -4.58 0.09 0.00 -1.68 0.00 0.00 37.83 31.65 2k19 s LYS 3 CO 0.00 -1.38 1.06 -0.51 -0.76 0.00 0.00 175.35 173.76 2k19 s LEU 4 N 0.20 2.82 0.43 3.17 1.43 -1.26 -5.11 118.68 120.35 2k19 s LEU 4 Ca 0.26 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2k19 s LEU 4 Cb -0.09 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2k19 s LEU 4 CO -0.08 -1.79 0.12 -0.54 0.23 0.00 0.00 176.35 174.29 2k19 s LYS 5 N -5.33 2.00 -1.26 1.70 -0.14 -1.26 -4.79 119.74 110.66 2k19 s LYS 5 Ca 0.63 -2.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.00 2k19 s LYS 5 Cb -0.09 -0.72 0.00 0.00 -1.68 0.00 0.00 37.83 35.34 2k19 s LYS 5 CO 0.46 -0.49 0.00 0.91 -0.76 0.00 0.00 175.35 175.47 2k19 n TRP 6 N -0.99 -1.20 0.01 3.18 8.01 -1.26 -4.84 117.44 120.35 2k19 n TRP 6 Ca -0.08 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.89 2k19 n TRP 6 Cb 0.65 -2.99 -0.14 0.00 -2.01 0.00 0.00 31.31 26.82 2k19 n TRP 6 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 2k19 h PHE 7 N 0.00 0.46 -2.62 -5.99 3.57 -1.93 -3.46 116.94 106.97 2k19 h PHE 7 Ca -0.33 -0.34 -0.55 0.00 3.53 0.00 0.00 57.97 60.28 2k19 h PHE 7 Cb 1.21 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2k19 h PHE 7 CO 0.64 1.67 1.12 -1.54 -2.23 0.00 0.00 178.31 177.96 2k19 s SER 8 N -7.07 6.54 0.00 0.41 1.04 -1.26 -3.80 113.70 109.55 2k19 s SER 8 Ca -0.21 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2k19 s SER 8 Cb 0.06 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2k19 s SER 8 CO 0.76 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2k19 n GLY 9 N 4.34 0.75 2.13 7.32 0.00 -1.26 -4.97 105.19 113.51 2k19 n GLY 9 Ca 0.18 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 2k19 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k19 n GLY 10 N 0.00 -3.15 0.12 -0.02 0.00 -1.26 -4.92 105.19 95.95 2k19 n GLY 10 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2k19 n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k19 h LYS 11 N 1.46 0.33 0.00 1.61 2.10 -1.89 -3.19 116.57 116.99 2k19 h LYS 11 Ca 0.00 -0.57 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 2k19 h LYS 11 Cb 0.09 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2k19 h LYS 11 CO 0.06 1.27 0.00 0.39 -2.00 0.00 0.00 179.45 179.17 2k19 n GLU 12 N -3.58 0.34 0.18 0.07 1.02 -1.26 -2.94 120.64 114.47 2k19 n GLU 12 Ca -0.10 0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.13 2k19 n GLU 12 Cb 1.04 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 31.28 2k19 n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k19 h ARG 13 N 0.00 0.00 0.00 3.49 2.47 -1.91 -2.81 114.38 115.62 2k19 h ARG 13 Ca 0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2k19 h ARG 13 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2k19 h ARG 13 CO 0.00 0.44 -0.66 0.66 0.56 0.00 0.00 179.97 180.96 2k19 h SER 14 N 0.00 0.00 1.47 7.04 4.64 -1.73 -2.94 113.55 122.03 2k19 h SER 14 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2k19 h SER 14 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2k19 h SER 14 CO 0.06 0.66 -0.06 0.78 -0.87 0.00 0.00 176.83 177.40 2k19 h ASN 15 N 0.00 0.00 0.18 4.97 -0.26 -1.68 -3.27 115.58 115.52 2k19 h ASN 15 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2k19 h ASN 15 Cb 1.18 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 2k19 h ASN 15 CO 0.09 0.06 -0.12 -0.61 -1.06 0.00 0.00 177.43 175.79 2k19 h GLN 16 N 0.00 -0.30 -0.45 0.81 5.75 -1.40 -2.30 115.11 117.22 2k19 h GLN 16 Ca -0.00 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 2k19 h GLN 16 Cb 0.82 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.35 2k19 h GLN 16 CO 0.01 -0.20 -0.09 0.00 -2.65 0.00 0.00 178.83 175.90 2k19 h ALA 17 N 0.50 0.33 -0.87 3.38 0.00 -1.69 -0.31 119.26 120.60 2k19 h ALA 17 Ca -0.01 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2k19 h ALA 17 Cb 0.26 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2k19 h ALA 17 CO 0.01 -0.44 0.50 1.49 0.00 0.00 0.00 179.25 180.81 2k19 h GLU 18 N 0.02 0.79 -0.50 0.00 4.81 -1.64 -1.10 114.58 116.95 2k19 h GLU 18 Ca 0.22 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2k19 h GLU 18 Cb 0.34 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2k19 h GLU 18 CO -0.45 0.52 0.08 -0.91 -0.73 0.00 0.00 179.01 177.52 2k19 h ASN 19 N 0.81 0.80 0.45 1.04 2.35 -0.56 -2.69 115.58 117.79 2k19 h ASN 19 Ca 0.43 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2k19 h ASN 19 Cb 0.44 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2k19 h ASN 19 CO -0.27 0.86 -0.24 0.40 -1.65 0.00 0.00 177.43 176.53 2k19 h ILE 20 N 0.71 0.50 -0.74 2.81 2.04 -0.06 -2.06 117.51 120.71 2k19 h ILE 20 Ca 0.15 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.17 2k19 h ILE 20 Cb 0.40 0.50 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 2k19 h ILE 20 CO 0.01 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.80 2k19 h ILE 21 N -0.65 0.58 -0.11 -0.67 2.04 -1.24 0.25 117.51 117.71 2k19 h ILE 21 Ca -0.06 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2k19 h ILE 21 Cb 0.51 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2k19 h ILE 21 CO 0.08 0.06 -0.02 0.74 0.00 0.00 0.00 178.15 179.01 2k19 h THR 22 N 0.35 1.09 0.25 -0.27 2.02 -1.22 -3.01 112.91 112.11 2k19 h THR 22 Ca 0.42 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2k19 h THR 22 Cb 0.69 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2k19 h THR 22 CO -0.46 0.12 -0.23 -0.78 0.37 0.00 0.00 175.52 174.54 2k19 h ASP 23 N 0.16 -0.61 -1.02 4.18 3.58 0.22 -2.20 116.42 120.73 2k19 h ASP 23 Ca 0.04 0.05 0.25 0.00 0.42 0.00 0.00 57.03 57.79 2k19 h ASP 23 Cb 0.15 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.28 2k19 h ASP 23 CO 0.00 -0.31 0.63 -0.07 -2.88 0.00 0.00 179.24 176.62 2k19 h LEU 24 N -0.47 0.58 -0.79 2.28 3.38 -1.49 0.19 115.31 118.99 2k19 h LEU 24 Ca -0.03 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2k19 h LEU 24 Cb 0.40 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2k19 h LEU 24 CO -0.01 0.10 0.46 -0.07 0.09 0.00 0.00 178.44 179.00 2k19 h LEU 25 N 0.50 0.67 0.70 1.67 -0.00 -1.32 0.28 115.31 117.81 2k19 h LEU 25 Ca 0.62 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.50 2k19 h LEU 25 Cb 1.35 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2k19 h LEU 25 CO -0.39 0.41 -0.33 -0.78 -0.00 0.00 0.00 178.44 177.34 2k19 h ASP 26 N 0.80 -0.79 -0.02 -0.43 3.58 -0.02 -2.70 116.42 116.84 2k19 h ASP 26 Ca 0.36 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.85 2k19 h ASP 26 Cb 0.27 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2k19 h ASP 26 CO -0.21 -0.52 0.08 -2.24 -2.88 0.00 0.00 179.24 173.46 2k19 h ASP 27 N -1.02 0.00 0.68 2.28 3.04 -1.36 0.49 116.42 120.53 2k19 h ASP 27 Ca -0.10 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.64 2k19 h ASP 27 Cb 0.72 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.00 2k19 h ASP 27 CO 0.16 0.00 -0.27 -0.07 -2.04 0.00 0.00 179.24 177.01 2k19 h LEU 28 N 0.00 0.00 -1.69 0.15 3.38 -0.12 -2.99 115.31 114.04 2k19 h LEU 28 Ca 0.01 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.28 2k19 h LEU 28 Cb 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2k19 h LEU 28 CO -0.00 0.27 0.75 0.07 0.09 0.00 0.00 178.44 179.63 2k19 h LYS 29 N 0.00 0.18 0.03 1.13 2.10 -0.70 0.56 116.57 119.86 2k19 h LYS 29 Ca -0.00 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.30 2k19 h LYS 29 Cb 0.69 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.93 2k19 h LYS 29 CO 0.04 0.12 -1.97 0.25 -2.00 0.00 0.00 179.45 175.88 2k19 n THR 30 N -4.40 1.60 -1.92 0.07 -2.24 -1.13 -4.88 114.28 101.37 2k19 n THR 30 Ca 0.25 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2k19 n THR 30 Cb 1.06 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2k19 n THR 30 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k19 s ASP 31 N -6.23 6.61 -0.13 3.42 2.15 0.19 -4.87 116.67 117.81 2k19 s ASP 31 Ca -0.12 2.37 0.13 0.00 0.43 0.00 0.00 52.55 55.37 2k19 s ASP 31 Cb 0.07 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.77 2k19 s ASP 31 CO 0.79 -0.94 1.48 -0.11 -0.17 0.00 0.00 175.17 176.22 2k19 n LEU 32 N 6.94 4.29 0.00 -1.34 7.94 -1.26 -4.48 117.00 129.09 2k19 n LEU 32 Ca 0.18 -2.17 0.00 0.00 -1.11 0.00 0.00 56.01 52.90 2k19 n LEU 32 Cb 0.42 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.80 2k19 n LEU 32 CO 0.64 0.63 0.00 -0.67 -1.11 0.00 0.00 177.39 176.87 2k19 n ASP 33 N 0.73 0.00 -4.17 1.96 -0.08 -1.26 -4.63 116.55 109.11 2k19 n ASP 33 Ca 0.22 0.27 -0.43 0.00 -1.51 0.00 0.00 54.79 53.33 2k19 n ASP 33 Cb 0.85 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2k19 n ASP 33 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k19 n ASN 34 N -2.14 4.92 -0.06 1.67 3.02 -1.26 -4.72 115.26 116.68 2k19 n ASN 34 Ca 0.00 -2.99 -0.09 0.00 -0.03 0.00 0.00 54.58 51.47 2k19 n ASN 34 Cb 0.00 -1.58 -0.08 0.00 -0.61 0.00 0.00 39.78 37.51 2k19 n ASN 34 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2k19 h GLU 35 N 6.56 0.00 0.00 3.52 5.08 -1.84 -3.34 114.58 124.56 2k19 h GLU 35 Ca 0.41 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.68 2k19 h GLU 35 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2k19 h GLU 35 CO 1.51 0.61 -0.95 0.66 -1.00 0.00 0.00 179.01 179.84 2k19 h SER 36 N -1.00 0.00 -0.33 1.42 4.64 -1.98 -3.32 113.55 112.98 2k19 h SER 36 Ca -0.02 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2k19 h SER 36 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2k19 h SER 36 CO -0.01 0.34 0.23 0.25 -0.87 0.00 0.00 176.83 176.76 2k19 h LEU 37 N 0.00 0.16 -1.99 5.97 7.12 -1.91 -1.19 115.31 123.47 2k19 h LEU 37 Ca -0.07 0.00 0.27 0.00 0.13 0.00 0.00 57.88 58.22 2k19 h LEU 37 Cb 1.31 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.37 2k19 h LEU 37 CO 0.03 0.10 0.69 0.11 -0.13 0.00 0.00 178.44 179.24 2k19 h LYS 38 N 0.18 0.00 -0.82 1.25 1.57 -1.68 0.20 116.57 117.26 2k19 h LYS 38 Ca 0.15 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 2k19 h LYS 38 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2k19 h LYS 38 CO -0.02 0.00 0.55 1.57 -0.57 0.00 0.00 179.45 180.97 2k19 h LYS 39 N 0.00 0.38 0.51 3.15 2.10 -1.48 -0.67 116.57 120.57 2k19 h LYS 39 Ca 0.44 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 59.05 2k19 h LYS 39 Cb 1.81 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 2k19 h LYS 39 CO -0.00 0.25 -0.24 0.28 -2.00 0.00 0.00 179.45 177.73 2k19 h VAL 40 N 0.39 0.00 -0.38 0.07 2.07 -0.81 -0.88 116.25 116.72 2k19 h VAL 40 Ca 0.41 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.70 2k19 h VAL 40 Cb 1.01 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2k19 h VAL 40 CO -0.14 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.17 2k19 h LEU 41 N -1.00 -0.71 -0.15 2.57 3.38 -1.56 0.52 115.31 118.37 2k19 h LEU 41 Ca -0.07 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2k19 h LEU 41 Cb 0.52 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2k19 h LEU 41 CO 0.11 -0.24 -0.05 -0.33 0.09 0.00 0.00 178.44 178.03 2k19 h GLU 42 N -0.15 -0.02 0.11 1.13 5.08 -1.22 0.26 114.58 119.78 2k19 h GLU 42 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2k19 h GLU 42 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k19 h GLU 42 CO -0.47 -0.01 -0.09 -0.91 -1.00 0.00 0.00 179.01 176.53 2k19 h ASN 43 N -0.02 -0.24 -1.00 1.42 -0.26 -0.29 -1.44 115.58 113.75 2k19 h ASN 43 Ca 0.08 0.02 0.22 0.00 -0.56 0.00 0.00 56.30 56.06 2k19 h ASN 43 Cb 0.13 0.08 -0.10 0.00 -1.06 0.00 0.00 38.32 37.37 2k19 h ASN 43 CO -0.17 -0.13 0.62 1.88 -1.06 0.00 0.00 177.43 178.58 2k19 h TYR 44 N -0.20 0.88 -0.93 1.19 0.05 -0.92 0.15 116.97 117.19 2k19 h TYR 44 Ca -0.01 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2k19 h TYR 44 Cb 0.16 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.58 2k19 h TYR 44 CO -0.04 0.15 0.59 1.25 -1.05 0.00 0.00 178.16 179.05 2k19 h LEU 45 N 0.58 0.95 -2.48 3.88 5.85 -0.17 0.01 115.31 123.93 2k19 h LEU 45 Ca 0.58 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 2k19 h LEU 45 Cb 1.16 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2k19 h LEU 45 CO -0.35 0.61 -0.02 1.05 -0.34 0.00 0.00 178.44 179.40 2k19 h GLU 46 N 1.09 0.00 -0.70 1.25 4.11 0.41 -1.86 114.58 118.87 2k19 h GLU 46 Ca 0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.77 2k19 h GLU 46 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2k19 h GLU 46 CO -0.16 0.02 0.20 0.93 0.07 0.00 0.00 179.01 180.07 2k19 h GLU 47 N 0.00 1.09 -0.61 1.06 4.39 -0.91 -2.39 114.58 117.21 2k19 h GLU 47 Ca -0.00 -0.24 0.15 0.00 0.34 0.00 0.00 59.36 59.61 2k19 h GLU 47 Cb 0.06 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2k19 h GLU 47 CO 0.00 0.94 0.43 -0.07 -1.16 0.00 0.00 179.01 179.15 2k19 h LEU 48 N 1.05 0.15 -0.43 1.33 4.07 -1.38 0.19 115.31 120.29 2k19 h LEU 48 Ca 0.23 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 58.05 2k19 h LEU 48 Cb 0.31 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 2k19 h LEU 48 CO -0.01 0.08 -0.68 0.11 -1.08 0.00 0.00 178.44 176.86 2k19 h LYS 49 N 0.16 0.00 -7.17 1.13 6.56 -1.55 -3.45 116.57 112.25 2k19 h LYS 49 Ca 0.29 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.40 2k19 h LYS 49 Cb 0.94 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.65 2k19 h LYS 49 CO -0.04 0.68 0.38 -0.65 -2.06 0.00 0.00 179.45 177.76 2k19 s GLN 50 N -3.21 3.50 0.00 3.15 -0.21 0.68 -4.96 119.66 118.61 2k19 s GLN 50 Ca 0.01 1.20 0.21 0.00 0.02 0.00 0.00 55.36 56.79 2k19 s GLN 50 Cb 0.11 -2.06 0.58 0.00 1.00 0.00 0.00 33.01 32.64 2k19 s GLN 50 CO 0.76 -0.67 1.48 0.36 -2.12 0.00 0.00 175.29 175.11 2k19 n LYS 51 N -1.76 2.52 0.00 2.91 2.85 -1.26 -4.56 118.16 118.86 2k19 n LYS 51 Ca 0.09 -2.36 0.00 0.00 -1.05 0.00 0.00 58.31 54.99 2k19 n LYS 51 Cb 0.53 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 2k19 n LYS 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2k19 n SER 52 N 1.43 0.00 -4.76 -5.58 7.64 -1.26 -4.91 113.62 106.18 2k19 n SER 52 Ca 0.22 0.19 -0.40 0.00 1.01 0.00 0.00 58.87 59.89 2k19 n SER 52 Cb 0.56 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 2k19 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k19 s ALA 53 N -3.61 3.41 0.61 -0.43 0.00 -1.26 -5.02 121.76 115.45 2k19 s ALA 53 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2k19 s ALA 53 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2k19 s ALA 53 CO 0.00 -0.19 1.04 -1.12 0.00 0.00 0.00 175.76 175.50 2k19 s SER 54 N -0.86 5.83 0.12 0.00 0.01 -1.26 -4.84 113.70 112.70 2k19 s SER 54 Ca 0.45 1.69 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 2k19 s SER 54 Cb -0.32 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.32 2k19 s SER 54 CO 0.42 -1.13 1.58 0.58 0.41 0.00 0.00 173.24 175.10 2k19 h VAL 55 N 0.13 0.14 0.00 3.43 2.07 -1.94 0.28 116.25 120.36 2k19 h VAL 55 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2k19 h VAL 55 Cb 1.21 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2k19 h VAL 55 CO 0.58 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 177.36 2k19 n PRO 56 N -5.45 0.04 0.11 1.57 -0.04 -1.26 -1.94 135.00 128.04 2k19 n PRO 56 Ca -0.05 0.29 -0.23 0.00 -0.04 0.00 0.00 63.50 63.47 2k19 n PRO 56 Cb 0.37 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 2k19 n PRO 56 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2k19 h LEU 57 N 0.00 0.71 0.17 1.53 3.38 -1.36 -3.17 115.31 116.57 2k19 h LEU 57 Ca 0.00 -0.86 -0.32 0.00 0.09 0.00 0.00 57.88 56.80 2k19 h LEU 57 Cb 0.27 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k19 h LEU 57 CO 0.00 1.69 -1.48 0.40 0.09 0.00 0.00 178.44 179.14 2k19 h ILE 58 N 0.12 1.24 -0.27 1.22 2.04 -1.02 -3.05 117.51 117.79 2k19 h ILE 58 Ca -0.28 -2.79 0.02 0.00 1.00 0.00 0.00 64.86 62.82 2k19 h ILE 58 Cb 2.12 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 41.07 2k19 h ILE 58 CO 0.23 0.84 0.12 -0.07 0.00 0.00 0.00 178.15 179.27 2k19 h LEU 59 N 0.10 0.16 -0.62 1.44 3.38 -1.54 0.25 115.31 118.48 2k19 h LEU 59 Ca -0.24 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2k19 h LEU 59 Cb 2.07 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2k19 h LEU 59 CO 0.21 0.13 0.05 0.28 0.09 0.00 0.00 178.44 179.20 2k19 h SER 60 N 0.25 1.02 0.08 -0.43 0.02 -1.68 -2.64 113.55 110.18 2k19 h SER 60 Ca 0.11 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2k19 h SER 60 Cb 0.06 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2k19 h SER 60 CO -0.10 1.05 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.52 2k19 h ARG 61 N 0.96 -0.10 -0.86 3.45 9.65 -1.35 -3.00 114.38 123.12 2k19 h ARG 61 Ca 0.18 0.01 0.16 0.00 -1.10 0.00 0.00 59.98 59.22 2k19 h ARG 61 Cb 0.50 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.00 2k19 h ARG 61 CO 0.02 0.14 0.44 1.98 2.80 0.00 0.00 179.97 185.35 2k19 h MET 62 N -0.34 0.59 -0.61 0.20 4.05 -0.48 -0.74 114.93 117.61 2k19 h MET 62 Ca -0.01 -0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 2k19 h MET 62 Cb 0.29 -0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 30.88 2k19 h MET 62 CO 0.02 0.39 0.18 -0.97 0.23 0.00 0.00 176.91 176.75 2k19 h ASN 63 N 0.60 0.11 0.32 1.39 -0.73 -1.33 0.36 115.58 116.30 2k19 h ASN 63 Ca 0.48 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.73 2k19 h ASN 63 Cb 0.71 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.40 2k19 h ASN 63 CO -0.38 0.07 -0.05 -0.07 -0.37 0.00 0.00 177.43 176.63 2k19 h LEU 64 N 0.33 0.00 0.00 0.34 4.07 -1.08 -0.01 115.31 118.96 2k19 h LEU 64 Ca 0.31 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.19 2k19 h LEU 64 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2k19 h LEU 64 CO -0.36 0.05 -0.55 -0.78 -1.08 0.00 0.00 178.44 175.72 2k19 h ASP 65 N 0.00 0.00 0.18 -0.43 1.82 -0.21 -3.22 116.42 114.56 2k19 h ASP 65 Ca -0.00 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.22 2k19 h ASP 65 Cb 0.22 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 2k19 h ASP 65 CO 0.01 1.02 -0.11 0.40 -1.61 0.00 0.00 179.24 178.95 2k19 h ILE 66 N -1.00 0.77 -0.65 2.25 2.04 -0.40 -1.54 117.51 118.97 2k19 h ILE 66 Ca -0.12 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.88 2k19 h ILE 66 Cb 0.81 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2k19 h ILE 66 CO -0.07 0.00 0.44 0.28 0.00 0.00 0.00 178.15 178.80 2k19 h SER 67 N -0.28 0.29 -0.23 1.72 0.02 -1.20 -1.10 113.55 112.78 2k19 h SER 67 Ca -0.02 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2k19 h SER 67 Cb 0.23 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k19 h SER 67 CO 0.02 0.16 -0.26 0.11 -1.14 0.00 0.00 176.83 175.71 2k19 h LYS 68 N 0.31 0.58 -0.01 3.45 1.57 -1.42 -2.88 116.57 118.17 2k19 h LYS 68 Ca 0.31 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k19 h LYS 68 Cb 0.80 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2k19 h LYS 68 CO -0.08 0.92 0.13 0.00 -0.57 0.00 0.00 179.45 179.85 2k19 h ALA 69 N 0.65 1.19 0.04 3.86 0.00 -0.22 -1.08 119.26 123.71 2k19 h ALA 69 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k19 h ALA 69 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k19 h ALA 69 CO 0.06 -0.14 -0.02 0.82 0.00 0.00 0.00 179.25 179.98 2k19 h ILE 70 N 0.00 0.00 -0.28 0.00 2.04 -1.28 -2.12 117.51 115.87 2k19 h ILE 70 Ca 0.01 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2k19 h ILE 70 Cb 0.26 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2k19 h ILE 70 CO -0.00 0.00 0.15 0.08 0.00 0.00 0.00 178.15 178.38 2k19 h ARG 71 N -0.09 0.31 0.00 2.37 0.11 -1.60 0.31 114.38 115.80 2k19 h ARG 71 Ca -0.01 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2k19 h ARG 71 Cb 0.04 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2k19 h ARG 71 CO 0.01 0.20 0.00 0.09 0.10 0.00 0.00 179.97 180.37 2k19 n ASN 72 N -4.95 0.00 0.04 0.08 3.02 -0.42 -3.52 115.26 109.52 2k19 n ASN 72 Ca -0.01 0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 55.16 2k19 n ASN 72 Cb 0.06 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 2k19 n ASN 72 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2k19 h ASP 73 N 0.00 -1.12 0.00 6.41 3.58 -1.44 -3.47 116.42 120.38 2k19 h ASP 73 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2k19 h ASP 73 Cb 0.00 0.45 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k19 h ASP 73 CO 0.00 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 176.56 2k19 n GLY 74 N -1.43 1.86 2.05 -0.78 0.00 0.11 -5.07 105.19 101.93 2k19 n GLY 74 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2k19 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k19 n VAL 75 N -0.15 0.00 -3.77 1.61 0.24 -1.01 -5.00 118.33 110.25 2k19 n VAL 75 Ca 0.00 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.34 61.46 2k19 n VAL 75 Cb 0.00 -1.37 -0.13 0.00 -1.47 0.00 0.00 33.84 30.88 2k19 n VAL 75 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2k19 s THR 76 N -1.93 -0.02 0.08 3.34 2.01 -1.26 -4.70 115.64 113.16 2k19 s THR 76 Ca 0.37 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 2k19 s THR 76 Cb -0.02 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 2k19 s THR 76 CO 0.25 0.03 1.05 -0.76 -0.69 0.00 0.00 174.62 174.50 2k19 s LEU 77 N 0.63 4.43 1.04 4.42 1.43 -1.26 -5.04 118.68 124.33 2k19 s LEU 77 Ca -0.04 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.76 2k19 s LEU 77 Cb -0.06 -3.58 0.22 0.00 0.03 0.00 0.00 46.19 42.80 2k19 s LEU 77 CO -0.03 -0.24 1.19 -0.44 0.23 0.00 0.00 176.35 177.06 2k19 s SER 78 N 0.50 2.37 0.02 2.29 0.01 -1.26 -4.62 113.70 113.01 2k19 s SER 78 Ca 0.51 0.58 -0.07 0.00 1.31 0.00 0.00 55.95 58.28 2k19 s SER 78 Cb -0.25 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.11 2k19 s SER 78 CO 0.30 -3.23 1.11 -0.78 0.41 0.00 0.00 173.24 171.06 2k19 h ASP 79 N -1.97 -0.32 -0.93 2.44 3.58 -1.99 0.88 116.42 118.11 2k19 h ASP 79 Ca -0.46 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.22 2k19 h ASP 79 Cb 1.28 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 42.37 2k19 h ASP 79 CO 0.42 -0.12 0.61 0.10 -2.88 0.00 0.00 179.24 177.37 2k19 h TYR 80 N -0.17 0.63 0.23 0.28 -0.00 -1.98 -0.68 116.97 115.28 2k19 h TYR 80 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 2k19 h TYR 80 Cb 0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 36.70 2k19 h TYR 80 CO -0.28 0.16 -0.11 1.96 -0.00 0.00 0.00 178.16 179.89 2k19 h GLN 81 N 0.47 -0.29 -0.95 0.10 1.08 -1.73 0.13 115.11 113.92 2k19 h GLN 81 Ca 0.49 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.93 2k19 h GLN 81 Cb 1.14 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.56 2k19 h GLN 81 CO -0.21 -0.20 0.62 1.03 -0.95 0.00 0.00 178.83 179.12 2k19 h SER 82 N -0.32 0.43 0.18 1.46 0.87 -0.53 -1.03 113.55 114.61 2k19 h SER 82 Ca -0.03 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2k19 h SER 82 Cb 0.23 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2k19 h SER 82 CO 0.05 0.15 -0.09 0.11 -0.53 0.00 0.00 176.83 176.53 2k19 h LYS 83 N 0.42 -0.23 0.00 2.24 1.57 -1.00 -2.70 116.57 116.87 2k19 h LYS 83 Ca 0.51 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2k19 h LYS 83 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2k19 h LYS 83 CO -0.21 0.06 0.01 1.57 -0.57 0.00 0.00 179.45 180.31 2k19 h LYS 84 N -0.53 0.00 -0.35 3.15 5.09 0.51 -1.22 116.57 123.22 2k19 h LYS 84 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.61 2k19 h LYS 84 Cb 0.40 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.72 2k19 h LYS 84 CO 0.04 0.00 -0.22 1.25 -2.09 0.00 0.00 179.45 178.43 2k19 h LEU 85 N 0.00 0.68 0.00 7.07 7.12 -0.95 -2.17 115.31 127.06 2k19 h LEU 85 Ca 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2k19 h LEU 85 Cb 0.01 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 39.96 2k19 h LEU 85 CO 0.00 0.89 0.00 2.29 -0.13 0.00 0.00 178.44 181.49 2k19 n LYS 86 N -4.12 0.10 0.00 1.25 -0.00 -0.46 -3.41 118.16 111.51 2k19 n LYS 86 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2k19 n LYS 86 Cb 0.42 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 2k19 n LYS 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k19 n GLU 87 N -1.42 0.00 0.00 -1.58 -0.58 -0.82 -2.74 120.64 113.51 2k19 n GLU 87 Ca 0.06 0.12 0.03 0.00 -0.42 0.00 0.00 57.16 56.95 2k19 n GLU 87 Cb 0.17 -1.08 0.15 0.00 -0.57 0.00 0.00 31.44 30.11 2k19 n GLU 87 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2k19 n LEU 88 N -0.79 0.00 -0.13 -4.62 -0.00 -1.25 -2.40 117.00 107.81 2k19 n LEU 88 Ca 0.00 0.44 -0.11 0.00 -0.00 0.00 0.00 56.01 56.34 2k19 n LEU 88 Cb 0.00 -0.44 -0.02 0.00 -0.00 0.00 0.00 43.42 42.97 2k19 n LEU 88 CO 0.00 -0.33 0.77 0.74 -0.00 0.00 0.00 177.39 178.57 2k19 h THR 89 N 0.00 1.26 0.00 1.47 2.02 -1.54 0.80 112.91 116.92 2k19 h THR 89 Ca 0.00 -1.04 -0.22 0.00 0.77 0.00 0.00 66.41 65.92 2k19 h THR 89 Cb 0.10 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2k19 h THR 89 CO 0.00 0.35 -0.93 0.77 0.37 0.00 0.00 175.52 176.08 2k19 h SER 90 N 0.52 0.47 0.36 4.18 4.64 -1.27 -3.22 113.55 119.23 2k19 h SER 90 Ca 0.11 -0.38 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 2k19 h SER 90 Cb 0.50 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2k19 h SER 90 CO 0.02 1.18 -0.57 0.40 -0.87 0.00 0.00 176.83 176.99 2k19 h ILE 91 N 0.20 1.38 -3.49 0.95 2.04 -1.57 -3.44 117.51 113.59 2k19 h ILE 91 Ca -0.07 -1.91 -0.52 0.00 1.00 0.00 0.00 64.86 63.36 2k19 h ILE 91 Cb 1.56 1.96 0.03 0.00 -0.74 0.00 0.00 36.82 39.63 2k19 h ILE 91 CO 0.16 0.56 0.59 -0.94 0.00 0.00 0.00 178.15 178.52 2k19 s SER 92 N -6.89 7.01 -1.31 1.72 1.04 0.27 -4.93 113.70 110.61 2k19 s SER 92 Ca -0.04 2.32 -0.18 0.00 0.48 0.00 0.00 55.95 58.53 2k19 s SER 92 Cb 0.12 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.68 2k19 s SER 92 CO 0.79 -0.42 1.83 -0.46 0.98 0.00 0.00 173.24 175.96 2k19 n ASN 93 N 2.39 4.62 -3.57 7.02 0.23 -1.26 -4.86 115.26 119.83 2k19 n ASN 93 Ca 0.04 -2.89 -0.40 0.00 -0.53 0.00 0.00 54.58 50.80 2k19 n ASN 93 Cb 0.44 -1.73 -0.02 0.00 -2.08 0.00 0.00 39.78 36.40 2k19 n ASN 93 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2k19 n ILE 94 N 6.27 3.36 -0.08 1.53 5.41 -1.26 -4.29 119.36 130.29 2k19 n ILE 94 Ca 0.49 -2.58 -0.13 0.00 1.00 0.00 0.00 62.75 61.53 2k19 n ILE 94 Cb 0.45 -2.54 -0.07 0.00 -0.71 0.00 0.00 39.64 36.77 2k19 n ILE 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k19 n ARG 95 N 5.46 0.39 -0.93 0.38 5.12 -1.26 -5.02 116.66 120.80 2k19 n ARG 95 Ca 0.58 0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 56.30 2k19 n ARG 95 Cb 0.33 -1.27 0.15 0.00 -1.16 0.00 0.00 32.46 30.51 2k19 n ARG 95 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2k19 s TYR 96 N -2.32 2.00 0.59 -1.55 1.51 -1.26 -4.88 117.35 111.43 2k19 s TYR 96 Ca -0.22 1.61 0.42 0.00 -1.01 0.00 0.00 57.07 57.86 2k19 s TYR 96 Cb 0.07 -3.20 2.24 0.00 -0.11 0.00 0.00 41.96 40.95 2k19 s TYR 96 CO 0.36 -2.51 2.31 0.78 -1.11 0.00 0.00 175.55 175.38 2k19 h GLY 97 N -1.65 0.00 0.81 0.71 0.00 -1.99 -3.54 103.07 97.42 2k19 h GLY 97 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k19 h GLY 97 CO 0.47 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.29