#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k19 s GLY 2 N 0.00 0.77 0.24 3.17 0.00 -1.26 -4.99 107.32 105.24 2k19 s GLY 2 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.05 2k19 s GLY 2 CO 0.00 2.92 0.41 1.25 0.00 0.00 0.00 173.10 177.68 2k19 s LYS 3 N 5.79 3.50 -0.22 2.90 2.47 -1.26 -5.10 119.74 127.82 2k19 s LYS 3 Ca 0.55 -0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 54.51 2k19 s LYS 3 Cb -0.12 -2.82 0.01 0.00 -1.46 0.00 0.00 37.83 33.45 2k19 s LYS 3 CO 0.24 0.36 -0.08 -1.17 0.16 0.00 0.00 175.35 174.85 2k19 s LEU 4 N -3.65 2.83 -0.87 5.43 2.96 -1.26 -5.05 118.68 119.07 2k19 s LEU 4 Ca 0.38 -0.61 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 2k19 s LEU 4 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2k19 s LEU 4 CO 0.30 -0.05 1.76 -0.54 -1.32 0.00 0.00 176.35 176.50 2k19 s LYS 5 N 1.39 2.87 0.17 1.98 1.02 -1.26 -4.90 119.74 121.01 2k19 s LYS 5 Ca 0.04 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 2k19 s LYS 5 Cb -0.15 -4.96 0.01 0.00 -0.52 0.00 0.00 37.83 32.22 2k19 s LYS 5 CO -0.06 -2.89 0.40 -0.46 -0.92 0.00 0.00 175.35 171.42 2k19 s TRP 6 N 8.33 0.06 -1.40 3.18 -0.00 -1.26 -4.91 118.94 122.95 2k19 s TRP 6 Ca 0.61 -0.42 -0.08 0.00 -0.00 0.00 0.00 56.10 56.22 2k19 s TRP 6 Cb -0.06 0.19 0.05 0.00 -0.00 0.00 0.00 33.47 33.64 2k19 s TRP 6 CO 0.02 -0.79 0.57 0.34 -0.00 0.00 0.00 176.95 177.08 2k19 n PHE 7 N -0.26 -1.90 -3.81 5.86 7.35 -1.26 -4.88 117.46 118.56 2k19 n PHE 7 Ca -0.10 0.52 0.03 0.00 -0.76 0.00 0.00 57.45 57.13 2k19 n PHE 7 Cb 0.63 -3.60 0.01 0.00 0.35 0.00 0.00 39.48 36.86 2k19 n PHE 7 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k19 s SER 8 N -2.75 -0.01 0.00 -2.13 1.04 -1.26 -5.13 113.70 103.46 2k19 s SER 8 Ca 0.38 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2k19 s SER 8 Cb -0.19 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2k19 s SER 8 CO 0.47 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2k19 n GLY 9 N -0.72 0.16 3.40 7.32 0.00 -1.26 -5.00 105.19 109.09 2k19 n GLY 9 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2k19 n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k19 s GLY 10 N -0.57 1.64 0.00 -0.02 0.00 -1.26 -4.97 107.32 102.15 2k19 s GLY 10 Ca 0.00 -0.97 0.30 0.00 0.00 0.00 0.00 44.72 44.04 2k19 s GLY 10 CO 0.00 0.11 2.01 0.58 0.00 0.00 0.00 173.10 175.80 2k19 n LYS 11 N 4.05 0.26 -3.73 2.90 -0.00 -1.26 -4.88 118.16 115.50 2k19 n LYS 11 Ca -0.18 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.04 2k19 n LYS 11 Cb 0.52 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 34.02 2k19 n LYS 11 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k19 s GLU 12 N -2.74 1.58 0.16 -1.58 0.41 -1.26 -5.05 118.70 110.21 2k19 s GLU 12 Ca 0.23 -0.85 -0.00 0.00 -0.41 0.00 0.00 54.97 53.93 2k19 s GLU 12 Cb 0.20 0.58 -0.02 0.00 -1.78 0.00 0.00 34.13 33.11 2k19 s GLU 12 CO 0.49 -0.71 1.36 0.00 -0.49 0.00 0.00 175.26 175.92 2k19 h ARG 13 N 2.05 0.30 -0.15 1.61 2.47 -2.00 -2.63 114.38 116.02 2k19 h ARG 13 Ca -0.25 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.15 2k19 h ARG 13 Cb 1.27 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2k19 h ARG 13 CO 0.30 1.00 0.03 0.77 0.56 0.00 0.00 179.97 182.63 2k19 h SER 14 N 0.17 0.24 0.92 7.04 0.02 -2.00 -2.58 113.55 117.36 2k19 h SER 14 Ca -0.05 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2k19 h SER 14 Cb 1.49 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2k19 h SER 14 CO 0.14 0.43 0.00 0.59 -1.14 0.00 0.00 176.83 176.85 2k19 n ASN 15 N -4.80 0.71 0.33 3.07 3.02 -1.24 -3.65 115.26 112.70 2k19 n ASN 15 Ca -0.05 0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 55.01 2k19 n ASN 15 Cb 0.18 -0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 38.47 2k19 n ASN 15 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2k19 h GLN 16 N 0.00 -0.83 -0.43 3.52 4.15 -1.06 -0.97 115.11 119.48 2k19 h GLN 16 Ca 0.00 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.56 2k19 h GLN 16 Cb 0.46 0.19 -0.08 0.00 0.21 0.00 0.00 27.48 28.26 2k19 h GLN 16 CO 0.00 -0.56 -0.12 0.00 -1.93 0.00 0.00 178.83 176.23 2k19 h ALA 17 N -1.52 0.28 -0.77 3.38 0.00 -1.63 -0.26 119.26 118.73 2k19 h ALA 17 Ca -0.08 0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2k19 h ALA 17 Cb 0.67 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2k19 h ALA 17 CO 0.12 -0.46 0.36 1.49 0.00 0.00 0.00 179.25 180.76 2k19 h GLU 18 N -0.01 0.52 -0.51 0.00 4.22 -1.64 -0.18 114.58 116.97 2k19 h GLU 18 Ca 0.21 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.55 2k19 h GLU 18 Cb 0.33 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k19 h GLU 18 CO -0.45 0.35 0.05 -0.91 -2.18 0.00 0.00 179.01 175.87 2k19 h ASN 19 N 0.54 0.84 0.23 1.04 2.35 0.26 -2.85 115.58 117.98 2k19 h ASN 19 Ca 0.41 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2k19 h ASN 19 Cb 0.57 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2k19 h ASN 19 CO -0.36 0.91 -0.11 0.40 -1.65 0.00 0.00 177.43 176.62 2k19 h ILE 20 N 0.74 0.77 -0.93 2.81 2.04 0.23 -2.68 117.51 120.51 2k19 h ILE 20 Ca 0.15 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.19 2k19 h ILE 20 Cb 0.45 0.77 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 2k19 h ILE 20 CO 0.02 0.00 0.51 0.40 0.00 0.00 0.00 178.15 179.07 2k19 h ILE 21 N -0.31 0.66 -0.37 -0.67 2.04 -1.06 0.30 117.51 118.10 2k19 h ILE 21 Ca -0.03 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.72 2k19 h ILE 21 Cb 0.24 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2k19 h ILE 21 CO 0.05 0.12 0.28 0.74 0.00 0.00 0.00 178.15 179.34 2k19 h THR 22 N 0.64 0.73 0.00 -0.27 2.02 -1.23 -2.11 112.91 112.68 2k19 h THR 22 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.72 2k19 h THR 22 Cb 0.86 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2k19 h THR 22 CO -0.41 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 174.81 2k19 n ASP 23 N -4.30 0.00 -0.26 4.18 2.03 0.11 -0.83 116.55 117.47 2k19 n ASP 23 Ca 0.06 0.89 0.07 0.00 0.52 0.00 0.00 54.79 56.34 2k19 n ASP 23 Cb 0.47 -0.42 0.21 0.00 -0.72 0.00 0.00 41.12 40.65 2k19 n ASP 23 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k19 h LEU 24 N 0.00 0.08 -0.29 -2.67 3.38 -1.58 0.46 115.31 114.69 2k19 h LEU 24 Ca 0.00 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2k19 h LEU 24 Cb 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2k19 h LEU 24 CO 0.00 -0.03 0.01 -0.07 0.09 0.00 0.00 178.44 178.45 2k19 h LEU 25 N 0.30 -0.08 -0.03 1.67 4.07 -1.39 0.27 115.31 120.11 2k19 h LEU 25 Ca 0.45 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.47 2k19 h LEU 25 Cb 0.78 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 2k19 h LEU 25 CO -0.52 -0.01 0.02 -0.78 -1.08 0.00 0.00 178.44 176.07 2k19 h ASP 26 N 0.10 0.04 0.04 -0.43 3.58 0.72 -1.99 116.42 118.49 2k19 h ASP 26 Ca 0.14 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2k19 h ASP 26 Cb 0.17 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k19 h ASP 26 CO -0.22 0.15 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.47 2k19 h ASP 27 N -0.06 0.00 1.58 2.28 1.82 -0.65 -0.19 116.42 121.19 2k19 h ASP 27 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k19 h ASP 27 Cb 0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2k19 h ASP 27 CO -0.00 0.04 0.00 -0.07 -1.61 0.00 0.00 179.24 177.60 2k19 h LEU 28 N 0.00 0.00 -0.21 2.28 3.38 -0.01 -3.11 115.31 117.63 2k19 h LEU 28 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k19 h LEU 28 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2k19 h LEU 28 CO 0.00 0.00 -0.50 0.50 0.09 0.00 0.00 178.44 178.53 2k19 h LYS 29 N 0.00 -0.48 0.00 1.13 3.64 -0.29 -1.86 116.57 118.70 2k19 h LYS 29 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2k19 h LYS 29 Cb 0.79 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2k19 h LYS 29 CO 0.00 -0.32 -0.38 1.79 -2.27 0.00 0.00 179.45 178.27 2k19 h THR 30 N -0.50 0.00 -3.83 1.00 1.35 -1.72 -3.46 112.91 105.75 2k19 h THR 30 Ca 0.06 -0.96 -0.44 0.00 -0.55 0.00 0.00 66.41 64.53 2k19 h THR 30 Cb 0.65 1.76 0.17 0.00 -1.73 0.00 0.00 68.15 68.99 2k19 h THR 30 CO -0.47 0.00 0.21 -0.62 -0.25 0.00 0.00 175.52 174.39 2k19 s ASP 31 N -5.76 2.22 -0.03 5.36 -1.08 -0.70 -5.01 116.67 111.68 2k19 s ASP 31 Ca 0.04 0.85 0.15 0.00 -0.52 0.00 0.00 52.55 53.07 2k19 s ASP 31 Cb 0.07 -1.29 0.26 0.00 -1.46 0.00 0.00 42.92 40.50 2k19 s ASP 31 CO 0.71 -3.34 1.11 0.18 0.52 0.00 0.00 175.17 174.35 2k19 n LEU 32 N -4.27 0.87 0.00 -1.34 4.77 -1.26 -4.92 117.00 110.85 2k19 n LEU 32 Ca 0.09 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 2k19 n LEU 32 Cb 0.59 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2k19 n LEU 32 CO 0.52 0.50 0.00 -0.67 -1.33 0.00 0.00 177.39 176.41 2k19 n ASP 33 N 0.06 0.00 -4.49 -1.43 -0.08 -1.26 -4.74 116.55 104.61 2k19 n ASP 33 Ca 0.06 0.26 -0.43 0.00 -1.51 0.00 0.00 54.79 53.16 2k19 n ASP 33 Cb 0.92 -0.27 -0.05 0.00 2.34 0.00 0.00 41.12 44.06 2k19 n ASP 33 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2k19 s ASN 34 N -2.09 6.28 -0.17 1.67 0.01 -1.26 -4.84 114.94 114.53 2k19 s ASN 34 Ca 0.00 -0.63 0.18 0.00 -0.71 0.00 0.00 52.86 51.70 2k19 s ASN 34 Cb 0.00 -2.39 -0.26 0.00 0.41 0.00 0.00 41.25 39.01 2k19 s ASN 34 CO 0.00 -1.16 0.15 -0.62 -1.51 0.00 0.00 177.10 173.96 2k19 n GLU 35 N 7.10 0.68 -0.01 -0.60 1.02 -1.26 -4.46 120.64 123.11 2k19 n GLU 35 Ca -0.02 -0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2k19 n GLU 35 Cb 0.46 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2k19 n GLU 35 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k19 n SER 36 N -2.71 4.43 -0.12 1.62 7.64 -1.26 -4.65 113.62 118.57 2k19 n SER 36 Ca -0.29 -0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.68 2k19 n SER 36 Cb 1.09 0.56 0.43 0.00 -1.01 0.00 0.00 64.21 65.27 2k19 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k19 h LEU 37 N 0.00 0.51 -1.90 -3.43 7.12 -1.94 -0.56 115.31 115.10 2k19 h LEU 37 Ca -0.06 0.01 0.16 0.00 0.13 0.00 0.00 57.88 58.12 2k19 h LEU 37 Cb 1.14 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 2k19 h LEU 37 CO 0.00 0.32 0.55 0.11 -0.13 0.00 0.00 178.44 179.29 2k19 h LYS 38 N 0.57 0.00 -0.89 1.25 1.57 -1.83 0.75 116.57 117.99 2k19 h LYS 38 Ca 0.29 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.25 2k19 h LYS 38 Cb 0.38 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2k19 h LYS 38 CO -0.09 0.00 0.58 1.57 -0.57 0.00 0.00 179.45 180.94 2k19 h LYS 39 N 0.00 0.48 0.12 3.15 2.10 -1.41 0.34 116.57 121.35 2k19 h LYS 39 Ca 0.27 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 2k19 h LYS 39 Cb 1.37 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2k19 h LYS 39 CO -0.00 0.32 -0.06 0.28 -2.00 0.00 0.00 179.45 177.99 2k19 h VAL 40 N 0.50 0.00 -0.57 0.07 2.07 -1.04 -0.83 116.25 116.45 2k19 h VAL 40 Ca 0.46 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 68.00 2k19 h VAL 40 Cb 1.01 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 2k19 h VAL 40 CO -0.19 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.42 2k19 h LEU 41 N -0.24 -0.06 0.66 2.57 3.38 -1.63 0.38 115.31 120.37 2k19 h LEU 41 Ca -0.02 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2k19 h LEU 41 Cb 0.12 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k19 h LEU 41 CO 0.03 -0.01 -0.43 -0.33 0.09 0.00 0.00 178.44 177.78 2k19 h GLU 42 N 0.22 -0.99 0.02 1.13 5.08 -0.43 0.33 114.58 119.94 2k19 h GLU 42 Ca 0.30 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2k19 h GLU 42 Cb 0.44 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2k19 h GLU 42 CO -0.41 -0.66 -0.42 -0.97 -1.00 0.00 0.00 179.01 175.55 2k19 h ASN 43 N -1.03 -1.30 -0.72 1.42 -1.24 -0.81 -1.06 115.58 110.83 2k19 h ASN 43 Ca -0.09 0.14 0.14 0.00 0.71 0.00 0.00 56.30 57.20 2k19 h ASN 43 Cb 0.83 0.49 -0.10 0.00 0.73 0.00 0.00 38.32 40.28 2k19 h ASN 43 CO 0.07 -0.42 0.26 1.88 -1.29 0.00 0.00 177.43 177.93 2k19 h TYR 44 N -0.55 0.43 -0.72 0.67 0.05 -0.94 0.17 116.97 116.08 2k19 h TYR 44 Ca 0.01 0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.95 2k19 h TYR 44 Cb 0.58 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 2k19 h TYR 44 CO -0.47 0.03 0.48 1.25 -1.05 0.00 0.00 178.16 178.40 2k19 h LEU 45 N 0.39 0.41 -0.56 3.88 5.85 0.46 0.24 115.31 125.99 2k19 h LEU 45 Ca 0.40 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 2k19 h LEU 45 Cb 0.61 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2k19 h LEU 45 CO -0.42 0.23 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.39 2k19 h GLU 46 N 0.45 0.00 0.61 1.25 3.07 0.56 -3.30 114.58 117.22 2k19 h GLU 46 Ca 0.35 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.18 2k19 h GLU 46 Cb 0.73 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2k19 h GLU 46 CO -0.11 0.19 -0.29 0.93 -1.40 0.00 0.00 179.01 178.32 2k19 h GLU 47 N 0.00 -0.79 -1.11 2.33 4.39 0.07 -3.03 114.58 116.43 2k19 h GLU 47 Ca -0.00 0.05 0.31 0.00 0.34 0.00 0.00 59.36 60.06 2k19 h GLU 47 Cb 0.94 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 2k19 h GLU 47 CO 0.02 -0.49 0.77 1.37 -1.16 0.00 0.00 179.01 179.52 2k19 h LEU 48 N -1.14 0.19 -0.59 1.33 8.10 -1.61 0.86 115.31 122.45 2k19 h LEU 48 Ca -0.08 0.04 0.11 0.00 0.11 0.00 0.00 57.88 58.06 2k19 h LEU 48 Cb 0.67 0.01 -0.09 0.00 -0.44 0.00 0.00 40.66 40.81 2k19 h LEU 48 CO 0.14 0.03 0.12 0.11 -4.11 0.00 0.00 178.44 174.73 2k19 h LYS 49 N 0.16 0.25 -7.45 0.17 1.79 -1.61 -3.42 116.57 106.46 2k19 h LYS 49 Ca 0.58 -0.01 -0.48 0.00 -2.18 0.00 0.00 60.65 58.56 2k19 h LYS 49 Cb 1.94 -0.06 0.12 0.00 -1.58 0.00 0.00 32.23 32.65 2k19 h LYS 49 CO -0.14 0.16 0.33 -0.65 -1.08 0.00 0.00 179.45 178.07 2k19 s GLN 50 N -6.11 1.74 -0.11 3.15 -1.52 0.29 -4.96 119.66 112.14 2k19 s GLN 50 Ca -0.13 0.47 0.12 0.00 -1.95 0.00 0.00 55.36 53.88 2k19 s GLN 50 Cb 0.18 -1.89 0.56 0.00 -0.22 0.00 0.00 33.01 31.63 2k19 s GLN 50 CO 0.74 -1.82 1.41 0.36 -0.25 0.00 0.00 175.29 175.73 2k19 n LYS 51 N -3.54 3.30 0.00 2.91 2.85 -1.26 -4.50 118.16 117.92 2k19 n LYS 51 Ca 0.07 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.14 2k19 n LYS 51 Cb 0.58 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2k19 n LYS 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2k19 n SER 52 N 0.68 0.00 -4.75 -5.58 2.88 -1.26 -4.90 113.62 100.69 2k19 n SER 52 Ca 0.20 0.20 -0.41 0.00 -1.33 0.00 0.00 58.87 57.52 2k19 n SER 52 Cb 0.78 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 2k19 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k19 s ALA 53 N -3.60 3.41 0.65 -1.46 0.00 -1.26 -5.02 121.76 114.47 2k19 s ALA 53 Ca 0.00 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 2k19 s ALA 53 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2k19 s ALA 53 CO 0.00 -0.25 1.05 -1.12 0.00 0.00 0.00 175.76 175.44 2k19 s SER 54 N -0.31 5.66 0.10 0.00 0.01 -1.26 -4.65 113.70 113.25 2k19 s SER 54 Ca 0.49 1.64 -0.32 0.00 1.31 0.00 0.00 55.95 59.07 2k19 s SER 54 Cb -0.32 -2.50 -0.12 0.00 0.21 0.00 0.00 66.02 63.29 2k19 s SER 54 CO 0.38 -1.25 1.60 0.58 0.41 0.00 0.00 173.24 174.95 2k19 h VAL 55 N -0.29 0.19 0.00 3.43 2.07 -1.95 -1.21 116.25 118.50 2k19 h VAL 55 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2k19 h VAL 55 Cb 1.21 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 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 -5.48 0.04 0.10 1.57 -0.04 -1.26 -2.36 135.00 127.57 2k19 n PRO 56 Ca -0.09 0.24 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2k19 n PRO 56 Cb 0.38 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.58 0.00 1.53 3.38 -1.61 -3.01 115.31 116.18 2k19 h LEU 57 Ca 0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 2k19 h LEU 57 Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k19 h LEU 57 CO 0.00 1.57 -0.16 0.40 0.09 0.00 0.00 178.44 180.34 2k19 h ILE 58 N 0.10 1.40 -0.13 1.22 2.04 -1.14 -3.25 117.51 117.75 2k19 h ILE 58 Ca -0.25 -2.11 0.04 0.00 1.00 0.00 0.00 64.86 63.55 2k19 h ILE 58 Cb 2.07 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.85 2k19 h ILE 58 CO 0.21 0.47 0.12 -0.07 0.00 0.00 0.00 178.15 178.88 2k19 h LEU 59 N -1.00 0.00 0.37 1.44 3.38 -1.65 0.27 115.31 118.11 2k19 h LEU 59 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2k19 h LEU 59 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2k19 h LEU 59 CO -0.03 0.00 -0.18 0.28 0.09 0.00 0.00 178.44 178.61 2k19 h SER 60 N 0.00 -0.42 0.01 -0.43 0.02 -1.62 -2.81 113.55 108.30 2k19 h SER 60 Ca 0.06 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2k19 h SER 60 Cb 0.30 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2k19 h SER 60 CO -0.00 -0.23 -0.17 0.03 -1.14 0.00 0.00 176.83 175.32 2k19 h ARG 61 N -0.64 0.30 0.01 3.45 -0.00 -1.55 -3.12 114.38 112.84 2k19 h ARG 61 Ca -0.05 -0.08 0.03 0.00 -0.50 0.00 0.00 59.98 59.38 2k19 h ARG 61 Cb 0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.26 2k19 h ARG 61 CO 0.08 0.47 -0.40 1.98 0.00 0.00 0.00 179.97 182.11 2k19 h MET 62 N 0.28 -0.54 -1.01 0.04 4.05 -0.51 0.21 114.93 117.45 2k19 h MET 62 Ca 0.05 0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.65 2k19 h MET 62 Cb 0.47 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.30 2k19 h MET 62 CO 0.03 -0.36 0.63 -0.91 0.23 0.00 0.00 176.91 176.52 2k19 h ASN 63 N -0.56 0.89 1.03 1.39 2.35 -1.43 0.39 115.58 119.63 2k19 h ASN 63 Ca 0.05 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2k19 h ASN 63 Cb 0.64 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2k19 h ASN 63 CO -0.30 0.43 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.72 2k19 h LEU 64 N 0.93 0.00 0.10 1.61 3.38 -1.25 -1.70 115.31 118.37 2k19 h LEU 64 Ca 0.52 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.24 2k19 h LEU 64 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k19 h LEU 64 CO -0.30 0.12 -1.28 -0.78 0.09 0.00 0.00 178.44 176.29 2k19 h ASP 65 N 0.00 0.33 0.43 -0.43 1.82 0.28 -3.23 116.42 115.61 2k19 h ASP 65 Ca -0.00 -0.84 -0.02 0.00 -0.39 0.00 0.00 57.03 55.78 2k19 h ASP 65 Cb 0.66 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2k19 h ASP 65 CO 0.02 1.56 -0.21 0.40 -1.61 0.00 0.00 179.24 179.40 2k19 h ILE 66 N -0.41 0.49 -0.50 2.25 2.04 -0.45 -0.37 117.51 120.57 2k19 h ILE 66 Ca -0.28 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.21 2k19 h ILE 66 Cb 1.67 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 38.34 2k19 h ILE 66 CO 0.04 0.07 -0.18 -1.28 0.00 0.00 0.00 178.15 176.80 2k19 h SER 67 N -0.88 -0.63 -0.03 1.72 0.87 -1.51 0.15 113.55 113.24 2k19 h SER 67 Ca -0.06 0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2k19 h SER 67 Cb 0.56 0.37 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2k19 h SER 67 CO 0.10 -0.21 -0.13 0.07 -0.53 0.00 0.00 176.83 176.12 2k19 h LYS 68 N -0.06 0.33 0.00 2.24 2.10 -1.58 -1.67 116.57 117.93 2k19 h LYS 68 Ca 0.24 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2k19 h LYS 68 Cb 0.43 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2k19 h LYS 68 CO -0.54 0.47 0.00 0.00 -2.00 0.00 0.00 179.45 177.37 2k19 n ALA 69 N -2.48 1.58 -0.26 0.07 0.00 0.41 -2.91 120.51 116.91 2k19 n ALA 69 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2k19 n ALA 69 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2k19 n ALA 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k19 n ILE 70 N -2.29 0.00 -0.15 0.00 5.41 -0.56 -1.64 119.36 120.12 2k19 n ILE 70 Ca 0.02 1.26 0.08 0.00 1.00 0.00 0.00 62.75 65.10 2k19 n ILE 70 Cb 0.21 -2.23 0.39 0.00 -0.71 0.00 0.00 39.64 37.30 2k19 n ILE 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2k19 h ARG 71 N 0.00 0.65 0.47 0.38 0.11 -1.71 0.44 114.38 114.72 2k19 h ARG 71 Ca 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2k19 h ARG 71 Cb 0.00 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 30.91 2k19 h ARG 71 CO 0.00 0.43 -0.50 -0.91 0.10 0.00 0.00 179.97 179.09 2k19 h ASN 72 N 0.67 -1.38 -0.33 0.08 2.35 -1.55 -2.10 115.58 113.32 2k19 h ASN 72 Ca 0.30 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 2k19 h ASN 72 Cb 0.33 0.46 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2k19 h ASN 72 CO -0.10 -0.65 0.00 0.47 -1.65 0.00 0.00 177.43 175.50 2k19 n ASP 73 N -5.45 1.74 -2.38 5.81 8.00 -0.65 -4.89 116.55 118.72 2k19 n ASP 73 Ca -0.12 -2.00 -0.11 0.00 0.71 0.00 0.00 54.79 53.28 2k19 n ASP 73 Cb 0.45 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 2k19 n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k19 n GLY 74 N 1.02 -0.41 3.88 0.44 0.00 0.14 -4.92 105.19 105.34 2k19 n GLY 74 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2k19 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k19 s VAL 75 N -2.50 4.66 -0.08 1.61 0.11 -0.38 -4.97 120.40 118.85 2k19 s VAL 75 Ca 0.00 0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 59.67 2k19 s VAL 75 Cb 0.00 -3.83 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2k19 s VAL 75 CO 0.00 -1.01 -0.02 -0.89 -3.33 0.00 0.00 175.10 169.85 2k19 s THR 76 N -3.05 0.55 0.25 5.04 2.01 -1.26 -4.65 115.64 114.52 2k19 s THR 76 Ca 0.53 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 2k19 s THR 76 Cb -0.11 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 2k19 s THR 76 CO 0.51 0.28 1.11 -0.76 -0.69 0.00 0.00 174.62 175.07 2k19 s LEU 77 N 1.78 4.54 1.08 4.42 1.43 -1.26 -5.04 118.68 125.63 2k19 s LEU 77 Ca 0.03 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 2k19 s LEU 77 Cb -0.13 -3.62 0.24 0.00 0.03 0.00 0.00 46.19 42.72 2k19 s LEU 77 CO -0.05 -0.17 1.22 -0.55 0.23 0.00 0.00 176.35 177.03 2k19 s SER 78 N -0.67 2.04 0.06 2.29 0.15 -1.26 -4.65 113.70 111.65 2k19 s SER 78 Ca 0.46 0.44 -0.21 0.00 0.70 0.00 0.00 55.95 57.34 2k19 s SER 78 Cb -0.32 -0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 63.32 2k19 s SER 78 CO 0.40 -3.42 1.33 0.44 1.20 0.00 0.00 173.24 173.19 2k19 h ASP 79 N -2.10 -0.90 -0.96 5.45 3.32 -2.00 -1.02 116.42 118.20 2k19 h ASP 79 Ca -0.45 0.08 0.10 0.00 0.02 0.00 0.00 57.03 56.79 2k19 h ASP 79 Cb 1.26 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 41.05 2k19 h ASP 79 CO 0.36 -0.37 0.62 0.10 -1.72 0.00 0.00 179.24 178.23 2k19 h TYR 80 N -0.53 1.08 0.00 4.55 -0.00 -1.98 -1.83 116.97 118.26 2k19 h TYR 80 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2k19 h TYR 80 Cb 0.49 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 36.87 2k19 h TYR 80 CO -0.28 0.48 0.00 1.04 -0.00 0.00 0.00 178.16 179.40 2k19 n GLN 81 N -4.56 0.00 -0.28 0.10 6.02 -0.92 -0.11 117.38 117.63 2k19 n GLN 81 Ca 0.17 0.62 0.27 0.00 -0.01 0.00 0.00 57.00 58.04 2k19 n GLN 81 Cb 0.30 -1.47 0.62 0.00 1.02 0.00 0.00 30.24 30.71 2k19 n GLN 81 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k19 h SER 82 N 0.00 0.23 -0.13 1.08 0.87 -1.10 0.69 113.55 115.19 2k19 h SER 82 Ca 0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2k19 h SER 82 Cb 0.00 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2k19 h SER 82 CO 0.00 0.06 -0.00 0.11 -0.53 0.00 0.00 176.83 176.47 2k19 h LYS 83 N 0.21 0.23 0.00 2.24 1.57 -0.78 -2.66 116.57 117.38 2k19 h LYS 83 Ca 0.53 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2k19 h LYS 83 Cb 1.68 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 2k19 h LYS 83 CO -0.14 0.47 -0.00 1.57 -0.57 0.00 0.00 179.45 180.78 2k19 h LYS 84 N -0.04 0.00 -0.33 3.15 5.09 0.18 -2.14 116.57 122.49 2k19 h LYS 84 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.68 2k19 h LYS 84 Cb 0.37 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.68 2k19 h LYS 84 CO 0.01 0.00 -0.19 1.25 -2.09 0.00 0.00 179.45 178.43 2k19 h LEU 85 N 0.00 0.61 0.00 7.07 5.85 -0.98 -2.01 115.31 125.85 2k19 h LEU 85 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2k19 h LEU 85 Cb 0.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k19 h LEU 85 CO 0.00 0.80 0.00 2.29 -0.34 0.00 0.00 178.44 181.19 2k19 n LYS 86 N -4.14 0.16 0.00 1.25 -0.00 -0.80 -2.97 118.16 111.65 2k19 n LYS 86 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2k19 n LYS 86 Cb 0.38 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.91 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 -1.37 0.00 0.00 -1.58 -0.58 -0.75 -3.52 120.64 112.84 2k19 n GLU 87 Ca 0.07 0.18 0.05 0.00 -0.42 0.00 0.00 57.16 57.04 2k19 n GLU 87 Cb 0.17 -0.98 0.26 0.00 -0.57 0.00 0.00 31.44 30.33 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 -1.05 0.00 0.28 -4.62 -0.00 -1.25 -2.52 117.00 107.84 2k19 n LEU 88 Ca 0.00 0.25 0.14 0.00 -0.00 0.00 0.00 56.01 56.40 2k19 n LEU 88 Cb 0.00 -0.25 0.80 0.00 -0.00 0.00 0.00 43.42 43.97 2k19 n LEU 88 CO 0.00 -0.17 1.03 0.00 -0.00 0.00 0.00 177.39 178.26 2k19 h THR 89 N 0.00 0.56 0.00 1.47 1.03 -1.57 -0.68 112.91 113.71 2k19 h THR 89 Ca 0.00 -0.32 -0.00 0.00 -0.01 0.00 0.00 66.41 66.08 2k19 h THR 89 Cb 0.09 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 2k19 h THR 89 CO 0.00 0.07 -0.00 0.28 -0.01 0.00 0.00 175.52 175.86 2k19 h SER 90 N 0.00 0.00 -0.65 0.00 0.02 -1.63 -3.32 113.55 107.97 2k19 h SER 90 Ca -0.00 -0.86 -0.06 0.00 -0.84 0.00 0.00 61.79 60.03 2k19 h SER 90 Cb 0.20 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2k19 h SER 90 CO 0.01 0.86 0.18 0.40 -1.14 0.00 0.00 176.83 177.14 2k19 h ILE 91 N -0.86 1.25 -4.10 3.27 2.04 -1.71 -3.44 117.51 113.97 2k19 h ILE 91 Ca -0.00 -0.91 -0.48 0.00 1.00 0.00 0.00 64.86 64.47 2k19 h ILE 91 Cb 0.86 0.54 0.14 0.00 -0.74 0.00 0.00 36.82 37.62 2k19 h ILE 91 CO 0.00 0.35 0.26 -0.55 0.00 0.00 0.00 178.15 178.21 2k19 s SER 92 N -6.48 3.55 0.24 1.72 0.15 -0.28 -4.87 113.70 107.72 2k19 s SER 92 Ca -0.11 1.34 0.13 0.00 0.70 0.00 0.00 55.95 58.00 2k19 s SER 92 Cb 0.15 -2.02 0.07 0.00 -1.71 0.00 0.00 66.02 62.52 2k19 s SER 92 CO 0.83 -2.57 1.44 -1.13 1.20 0.00 0.00 173.24 173.01 2k19 h ASN 93 N -1.50 0.00 0.00 5.45 -0.73 -1.83 -3.37 115.58 113.59 2k19 h ASN 93 Ca -0.50 0.00 -0.69 0.00 1.87 0.00 0.00 56.30 56.98 2k19 h ASN 93 Cb 1.29 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.86 2k19 h ASN 93 CO 0.57 0.64 3.29 -0.38 -0.37 0.00 0.00 177.43 181.19 2k19 n ILE 94 N -3.33 3.61 -0.14 2.57 2.08 -1.26 -4.65 119.36 118.24 2k19 n ILE 94 Ca 0.01 -2.85 -0.12 0.00 0.56 0.00 0.00 62.75 60.36 2k19 n ILE 94 Cb 0.76 -2.60 -0.01 0.00 -0.75 0.00 0.00 39.64 37.04 2k19 n ILE 94 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k19 h ARG 95 N 5.81 0.88 -7.51 0.38 0.11 -1.74 -3.45 114.38 108.86 2k19 h ARG 95 Ca 0.64 -0.38 -0.46 0.00 0.10 0.00 0.00 59.98 59.89 2k19 h ARG 95 Cb 0.55 -0.03 0.14 0.00 1.11 0.00 0.00 29.97 31.73 2k19 h ARG 95 CO 1.86 1.03 0.30 1.52 0.10 0.00 0.00 179.97 184.78 2k19 s TYR 96 N -4.65 2.35 0.00 4.08 1.13 -1.26 -4.93 117.35 114.06 2k19 s TYR 96 Ca -0.12 0.80 0.00 0.00 -1.41 0.00 0.00 57.07 56.34 2k19 s TYR 96 Cb 0.11 -3.44 0.00 0.00 -1.10 0.00 0.00 41.96 37.53 2k19 s TYR 96 CO 0.85 -2.47 0.00 0.41 -2.51 0.00 0.00 175.55 171.83 2k19 n GLY 97 N -2.23 0.00 0.79 5.49 0.00 -1.26 -5.16 105.19 102.82 2k19 n GLY 97 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2k19 n GLY 97 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30