#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 0.87 3.40 3.03 0.00 -1.26 -4.73 105.19 106.50 2k19 n GLY 2 Ca 0.00 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 4.14 -0.30 1.61 3.01 -1.26 -4.99 119.74 121.94 2k19 s LYS 3 Ca 0.00 -2.89 -0.12 0.00 -1.01 0.00 0.00 55.97 51.96 2k19 s LYS 3 Cb 0.00 -4.80 -0.04 0.00 -1.01 0.00 0.00 37.83 31.98 2k19 s LYS 3 CO 0.00 -1.50 0.21 -0.51 0.51 0.00 0.00 175.35 174.06 2k19 s LEU 4 N 0.17 4.22 0.00 3.17 1.43 -1.26 -4.91 118.68 121.50 2k19 s LEU 4 Ca 0.36 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2k19 s LEU 4 Cb -0.06 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.08 2k19 s LEU 4 CO -0.04 -0.13 0.69 2.29 0.23 0.00 0.00 176.35 179.39 2k19 n LYS 5 N 5.07 0.03 -2.63 1.70 0.00 -1.26 -5.03 118.16 116.04 2k19 n LYS 5 Ca -0.13 -0.88 -0.29 0.00 -0.00 0.00 0.00 58.31 57.01 2k19 n LYS 5 Cb 0.51 -1.08 -0.01 0.00 -0.00 0.00 0.00 35.03 34.44 2k19 n LYS 5 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2k19 s TRP 6 N -0.43 3.53 -0.03 5.58 0.52 -1.26 -5.10 118.94 121.74 2k19 s TRP 6 Ca 0.05 1.00 -0.14 0.00 0.02 0.00 0.00 56.10 57.04 2k19 s TRP 6 Cb 0.04 -2.44 0.02 0.00 -1.15 0.00 0.00 33.47 29.94 2k19 s TRP 6 CO 0.05 -0.26 0.30 0.12 0.02 0.00 0.00 176.95 177.19 2k19 s PHE 7 N -2.63 -0.20 -0.29 -1.98 5.36 -1.26 -5.10 117.98 111.88 2k19 s PHE 7 Ca 0.51 0.34 -0.28 0.00 -0.96 0.00 0.00 56.93 56.54 2k19 s PHE 7 Cb -0.10 0.09 -0.05 0.00 -0.34 0.00 0.00 43.02 42.62 2k19 s PHE 7 CO 0.39 -0.35 2.20 -1.54 -1.46 0.00 0.00 175.22 174.47 2k19 s SER 8 N -1.09 5.30 -0.14 6.13 1.04 -1.26 -4.92 113.70 118.76 2k19 s SER 8 Ca -0.11 1.64 -0.29 0.00 0.48 0.00 0.00 55.95 57.66 2k19 s SER 8 Cb -0.05 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2k19 s SER 8 CO 0.03 -2.12 1.15 -0.83 0.98 0.00 0.00 173.24 172.45 2k19 s GLY 9 N 8.82 1.91 0.00 7.32 0.00 -1.26 -4.91 107.32 119.19 2k19 s GLY 9 Ca 0.97 0.43 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2k19 s GLY 9 CO 0.33 2.25 0.00 0.61 0.00 0.00 0.00 173.10 176.29 2k19 n GLY 10 N 3.39 0.27 4.23 0.20 0.00 -1.26 -5.03 105.19 107.00 2k19 n GLY 10 Ca 0.12 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 2k19 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k19 n LYS 11 N -1.32 -2.51 -3.65 1.61 5.02 -1.26 -4.92 118.16 111.12 2k19 n LYS 11 Ca 0.00 0.31 -0.08 0.00 -2.02 0.00 0.00 58.31 56.52 2k19 n LYS 11 Cb 0.00 -4.73 -0.08 0.00 -0.02 0.00 0.00 35.03 30.20 2k19 n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k19 s GLU 12 N -6.96 0.64 0.15 1.97 0.41 -1.26 -5.04 118.70 108.60 2k19 s GLU 12 Ca 0.51 1.14 -0.10 0.00 -0.41 0.00 0.00 54.97 56.12 2k19 s GLU 12 Cb -0.28 0.13 -0.02 0.00 -1.78 0.00 0.00 34.13 32.17 2k19 s GLU 12 CO 0.95 -0.15 1.46 0.00 -0.49 0.00 0.00 175.26 177.02 2k19 h ARG 13 N 7.06 0.84 -0.41 1.61 2.47 -1.99 -0.61 114.38 123.36 2k19 h ARG 13 Ca -0.31 -0.49 -0.05 0.00 -1.26 0.00 0.00 59.98 57.87 2k19 h ARG 13 Cb 1.22 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 2k19 h ARG 13 CO 0.19 1.13 0.06 0.66 0.56 0.00 0.00 179.97 182.57 2k19 h SER 14 N 0.67 0.65 1.19 7.04 4.64 -1.99 -2.73 113.55 123.01 2k19 h SER 14 Ca 0.03 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 2k19 h SER 14 Cb 1.07 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2k19 h SER 14 CO 0.11 0.75 -0.27 -1.13 -0.87 0.00 0.00 176.83 175.41 2k19 h ASN 15 N 0.53 0.00 0.26 4.97 -1.24 -1.94 -3.27 115.58 114.88 2k19 h ASN 15 Ca 0.12 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2k19 h ASN 15 Cb 0.38 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 2k19 h ASN 15 CO 0.01 0.27 -0.16 -0.61 -1.29 0.00 0.00 177.43 175.65 2k19 h GLN 16 N 0.00 -0.39 -0.41 6.67 5.75 -0.79 -2.28 115.11 123.66 2k19 h GLN 16 Ca -0.00 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.60 2k19 h GLN 16 Cb 0.94 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 2k19 h GLN 16 CO 0.04 -0.26 -0.06 0.00 -2.65 0.00 0.00 178.83 175.89 2k19 h ALA 17 N 0.32 0.31 -0.89 3.38 0.00 -1.59 -0.79 119.26 120.01 2k19 h ALA 17 Ca -0.02 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.16 2k19 h ALA 17 Cb 0.34 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2k19 h ALA 17 CO 0.02 -0.43 0.50 1.49 0.00 0.00 0.00 179.25 180.83 2k19 h GLU 18 N 0.04 0.73 -0.60 0.00 4.81 -1.61 -0.45 114.58 117.50 2k19 h GLU 18 Ca 0.20 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2k19 h GLU 18 Cb 0.30 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2k19 h GLU 18 CO -0.39 0.48 0.01 -0.97 -0.73 0.00 0.00 179.01 177.42 2k19 h ASN 19 N 0.75 1.02 0.40 1.04 -1.24 -0.61 -2.83 115.58 114.11 2k19 h ASN 19 Ca 0.47 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 2k19 h ASN 19 Cb 0.58 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2k19 h ASN 19 CO -0.32 1.06 -0.19 0.40 -1.29 0.00 0.00 177.43 177.09 2k19 h ILE 20 N 0.96 0.61 -0.92 2.57 2.04 0.10 -2.82 117.51 120.05 2k19 h ILE 20 Ca 0.17 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 66.12 2k19 h ILE 20 Cb 0.53 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 2k19 h ILE 20 CO 0.03 0.02 0.49 0.40 0.00 0.00 0.00 178.15 179.09 2k19 h ILE 21 N -0.59 0.66 -0.32 -0.67 2.04 -1.26 0.31 117.51 117.67 2k19 h ILE 21 Ca -0.06 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.69 2k19 h ILE 21 Cb 0.44 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2k19 h ILE 21 CO 0.09 0.11 0.24 0.74 0.00 0.00 0.00 178.15 179.33 2k19 h THR 22 N 0.62 0.80 0.00 -0.27 2.02 -1.24 -2.15 112.91 112.68 2k19 h THR 22 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 2k19 h THR 22 Cb 0.85 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 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 -4.38 0.00 -0.34 4.18 -0.08 0.11 -1.77 116.55 114.27 2k19 n ASP 23 Ca 0.05 0.89 0.16 0.00 -1.51 0.00 0.00 54.79 54.39 2k19 n ASP 23 Cb 0.41 -0.42 0.37 0.00 2.34 0.00 0.00 41.12 43.82 2k19 n ASP 23 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k19 h LEU 24 N 0.00 0.67 -0.57 -2.67 3.38 -1.57 0.94 115.31 115.49 2k19 h LEU 24 Ca 0.00 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2k19 h LEU 24 Cb 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2k19 h LEU 24 CO 0.00 0.12 0.22 -0.07 0.09 0.00 0.00 178.44 178.81 2k19 h LEU 25 N 0.60 0.24 -0.24 1.67 4.07 -1.35 0.18 115.31 120.48 2k19 h LEU 25 Ca 0.63 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.65 2k19 h LEU 25 Cb 1.16 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2k19 h LEU 25 CO -0.47 0.16 0.12 -0.78 -1.08 0.00 0.00 178.44 176.39 2k19 h ASP 26 N 0.42 0.32 -0.14 -0.43 3.58 0.01 0.19 116.42 120.37 2k19 h ASP 26 Ca 0.28 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k19 h ASP 26 Cb 0.31 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2k19 h ASP 26 CO -0.27 0.35 0.08 -0.78 -2.88 0.00 0.00 179.24 175.75 2k19 h ASP 27 N 0.27 0.16 0.71 2.28 1.82 -0.89 -2.15 116.42 118.61 2k19 h ASP 27 Ca 0.08 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2k19 h ASP 27 Cb 0.11 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 2k19 h ASP 27 CO -0.01 0.15 -0.14 -0.07 -1.61 0.00 0.00 179.24 177.56 2k19 h LEU 28 N 0.16 0.00 -0.63 2.28 3.38 -0.55 -3.13 115.31 116.83 2k19 h LEU 28 Ca 0.05 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.15 2k19 h LEU 28 Cb 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 2k19 h LEU 28 CO -0.01 0.14 -0.08 0.50 0.09 0.00 0.00 178.44 179.08 2k19 h LYS 29 N 0.00 0.05 -2.75 1.13 3.64 0.09 -2.31 116.57 116.41 2k19 h LYS 29 Ca -0.00 -0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.61 2k19 h LYS 29 Cb 0.53 -0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.17 2k19 h LYS 29 CO 0.02 0.03 1.93 0.25 -2.27 0.00 0.00 179.45 179.41 2k19 n THR 30 N -5.36 5.24 -3.76 1.00 -2.24 -1.18 -4.90 114.28 103.08 2k19 n THR 30 Ca 0.08 -4.80 -0.04 0.00 -2.27 0.00 0.00 64.05 57.02 2k19 n THR 30 Cb 0.35 -2.03 -0.01 0.00 -2.10 0.00 0.00 70.33 66.53 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 -0.06 -0.20 -0.05 3.42 -1.08 -0.87 -5.06 116.67 112.77 2k19 s ASP 31 Ca 0.46 -0.42 0.10 0.00 -0.52 0.00 0.00 52.55 52.17 2k19 s ASP 31 Cb 0.16 0.52 0.17 0.00 -1.46 0.00 0.00 42.92 42.31 2k19 s ASP 31 CO -0.06 -0.96 1.08 0.18 0.52 0.00 0.00 175.17 175.93 2k19 n LEU 32 N -0.46 0.96 0.01 -1.34 4.32 -1.26 -4.74 117.00 114.48 2k19 n LEU 32 Ca -0.06 -1.91 -0.22 0.00 -0.02 0.00 0.00 56.01 53.80 2k19 n LEU 32 Cb 0.61 -0.15 -0.14 0.00 -1.62 0.00 0.00 43.42 42.12 2k19 n LEU 32 CO 0.14 0.50 -0.67 -2.24 -1.22 0.00 0.00 177.39 173.89 2k19 h ASP 33 N 0.23 0.40 -2.03 -1.43 2.03 -1.97 -3.41 116.42 110.25 2k19 h ASP 33 Ca -0.04 -0.89 -0.51 0.00 -0.73 0.00 0.00 57.03 54.86 2k19 h ASP 33 Cb 1.35 -0.13 -0.41 0.00 -0.83 0.00 0.00 39.33 39.31 2k19 h ASP 33 CO 0.02 1.77 -0.99 0.59 -1.03 0.00 0.00 179.24 179.59 2k19 n ASN 34 N -3.68 2.24 0.20 4.15 3.02 -1.26 -4.91 115.26 115.02 2k19 n ASN 34 Ca -0.30 -3.25 -0.09 0.00 -0.03 0.00 0.00 54.58 50.92 2k19 n ASN 34 Cb 0.99 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 2k19 n ASN 34 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k19 h GLU 35 N 2.98 -0.56 0.00 3.52 4.81 -1.85 -3.18 114.58 120.30 2k19 h GLU 35 Ca 0.11 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2k19 h GLU 35 Cb 0.82 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 2k19 h GLU 35 CO 0.62 -0.37 -0.03 0.66 -0.73 0.00 0.00 179.01 179.16 2k19 h SER 36 N -1.04 0.00 -0.86 1.04 4.64 -1.96 -1.93 113.55 113.44 2k19 h SER 36 Ca -0.06 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2k19 h SER 36 Cb 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 2k19 h SER 36 CO 0.10 0.03 0.56 0.25 -0.87 0.00 0.00 176.83 176.90 2k19 h LEU 37 N 0.00 0.83 -1.90 5.97 7.12 -1.93 -0.50 115.31 124.90 2k19 h LEU 37 Ca -0.00 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.19 2k19 h LEU 37 Cb 0.06 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.00 2k19 h LEU 37 CO 0.00 0.52 0.57 0.11 -0.13 0.00 0.00 178.44 179.51 2k19 h LYS 38 N 0.94 0.00 -0.93 1.25 1.57 -1.32 0.59 116.57 118.66 2k19 h LYS 38 Ca 0.38 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.36 2k19 h LYS 38 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 2k19 h LYS 38 CO -0.14 0.00 0.60 1.57 -0.57 0.00 0.00 179.45 180.91 2k19 h LYS 39 N 0.00 0.47 0.22 3.15 2.10 -1.24 0.22 116.57 121.49 2k19 h LYS 39 Ca 0.28 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.89 2k19 h LYS 39 Cb 1.41 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2k19 h LYS 39 CO -0.00 0.31 -0.11 0.28 -2.00 0.00 0.00 179.45 177.93 2k19 h VAL 40 N 0.48 0.00 -0.54 0.07 2.07 -1.06 -0.70 116.25 116.56 2k19 h VAL 40 Ca 0.49 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.94 2k19 h VAL 40 Cb 1.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 2k19 h VAL 40 CO -0.21 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.29 2k19 h LEU 41 N -0.48 -0.27 0.56 2.57 3.38 -1.61 0.46 115.31 119.92 2k19 h LEU 41 Ca -0.03 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k19 h LEU 41 Cb 0.23 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k19 h LEU 41 CO 0.05 -0.10 -0.36 -0.33 0.09 0.00 0.00 178.44 177.79 2k19 h GLU 42 N 0.10 -0.84 0.11 1.13 5.08 -0.66 0.26 114.58 119.76 2k19 h GLU 42 Ca 0.27 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2k19 h GLU 42 Cb 0.43 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2k19 h GLU 42 CO -0.47 -0.56 -0.30 -0.91 -1.00 0.00 0.00 179.01 175.77 2k19 h ASN 43 N -0.87 -0.88 -0.88 1.42 4.21 -0.58 0.11 115.58 118.10 2k19 h ASN 43 Ca -0.07 0.09 0.17 0.00 1.21 0.00 0.00 56.30 57.70 2k19 h ASN 43 Cb 0.72 0.32 -0.10 0.00 -1.12 0.00 0.00 38.32 38.13 2k19 h ASN 43 CO 0.06 -0.33 0.45 1.88 -1.29 0.00 0.00 177.43 178.20 2k19 h TYR 44 N -0.46 0.78 -0.55 1.19 0.05 -0.94 -0.40 116.97 116.65 2k19 h TYR 44 Ca -0.01 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2k19 h TYR 44 Cb 0.44 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 2k19 h TYR 44 CO -0.34 0.14 0.28 1.25 -1.05 0.00 0.00 178.16 178.44 2k19 h LEU 45 N 0.59 0.40 -1.70 3.88 5.85 0.16 -1.24 115.31 123.25 2k19 h LEU 45 Ca 0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.25 2k19 h LEU 45 Cb 0.77 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2k19 h LEU 45 CO -0.40 0.27 0.20 -0.08 -0.34 0.00 0.00 178.44 178.09 2k19 h GLU 46 N 0.54 0.39 -0.79 1.25 4.57 0.73 -1.79 114.58 119.48 2k19 h GLU 46 Ca 0.24 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 2k19 h GLU 46 Cb 0.15 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 2k19 h GLU 46 CO -0.17 0.26 0.52 0.93 -1.18 0.00 0.00 179.01 179.37 2k19 h GLU 47 N 0.41 0.84 -0.49 1.92 5.08 -0.76 -0.79 114.58 120.79 2k19 h GLU 47 Ca 0.11 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.53 2k19 h GLU 47 Cb -0.04 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2k19 h GLU 47 CO -0.02 0.56 0.34 -0.07 -1.00 0.00 0.00 179.01 178.82 2k19 h LEU 48 N 0.87 0.15 -0.35 1.33 3.38 -1.26 0.14 115.31 119.57 2k19 h LEU 48 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 2k19 h LEU 48 Cb 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k19 h LEU 48 CO -0.12 0.09 -0.53 0.11 0.09 0.00 0.00 178.44 178.08 2k19 h LYS 49 N 0.16 0.00 -7.21 1.13 6.56 -1.25 -3.45 116.57 112.51 2k19 h LYS 49 Ca 0.23 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.34 2k19 h LYS 49 Cb 0.71 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.41 2k19 h LYS 49 CO -0.03 0.53 0.38 -0.65 -2.06 0.00 0.00 179.45 177.61 2k19 s GLN 50 N -3.17 3.56 -0.04 3.15 -1.52 0.48 -4.96 119.66 117.17 2k19 s GLN 50 Ca 0.02 1.07 0.19 0.00 -1.95 0.00 0.00 55.36 54.69 2k19 s GLN 50 Cb 0.09 -2.07 0.62 0.00 -0.22 0.00 0.00 33.01 31.43 2k19 s GLN 50 CO 0.73 -0.60 1.52 0.36 -0.25 0.00 0.00 175.29 177.05 2k19 n LYS 51 N -1.95 2.89 0.00 2.91 0.00 -1.26 -4.56 118.16 116.19 2k19 n LYS 51 Ca 0.08 -2.49 0.00 0.00 -0.00 0.00 0.00 58.31 55.90 2k19 n LYS 51 Cb 0.53 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 33.93 2k19 n LYS 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k19 n SER 52 N 1.32 0.00 -4.77 -5.58 2.88 -1.26 -4.92 113.62 101.29 2k19 n SER 52 Ca 0.23 0.19 -0.39 0.00 -1.33 0.00 0.00 58.87 57.58 2k19 n SER 52 Cb 0.66 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.82 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 3.25 0.64 -1.46 0.00 -1.26 -5.03 121.76 114.30 2k19 s ALA 53 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 2k19 s ALA 53 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 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 -1.17 5.72 0.12 0.00 0.01 -1.26 -4.87 113.70 112.25 2k19 s SER 54 Ca 0.51 1.64 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 2k19 s SER 54 Cb -0.28 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 2k19 s SER 54 CO 0.36 -1.21 1.59 0.58 0.41 0.00 0.00 173.24 174.96 2k19 h VAL 55 N -0.20 0.16 0.00 3.43 2.07 -1.95 -1.08 116.25 118.68 2k19 h VAL 55 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k19 h VAL 55 Cb 1.21 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k19 h VAL 55 CO 0.58 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.67 2k19 h PRO 56 N -0.59 0.00 0.00 1.57 0.13 -1.96 -1.68 132.00 129.48 2k19 h PRO 56 Ca 0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2k19 h PRO 56 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2k19 h PRO 56 CO -0.30 0.05 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.30 2k19 h LEU 57 N 0.00 0.00 0.02 1.56 3.38 -1.63 -2.91 115.31 115.73 2k19 h LEU 57 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2k19 h LEU 57 Cb 0.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2k19 h LEU 57 CO 0.01 0.15 -2.39 -0.38 0.09 0.00 0.00 178.44 175.92 2k19 n ILE 58 N -3.20 1.52 0.48 1.22 5.41 -0.52 -3.85 119.36 120.42 2k19 n ILE 58 Ca 0.02 -0.62 -0.20 0.00 1.00 0.00 0.00 62.75 62.95 2k19 n ILE 58 Cb 0.49 -1.34 -0.10 0.00 -0.71 0.00 0.00 39.64 37.98 2k19 n ILE 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k19 h LEU 59 N 0.01 -1.04 -1.07 1.39 3.38 -1.39 0.28 115.31 116.87 2k19 h LEU 59 Ca -0.55 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.52 2k19 h LEU 59 Cb 1.96 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 42.92 2k19 h LEU 59 CO -0.05 -0.74 0.62 0.28 0.09 0.00 0.00 178.44 178.65 2k19 h SER 60 N -1.22 0.99 -0.02 -0.43 0.02 -1.76 -2.01 113.55 109.12 2k19 h SER 60 Ca -0.12 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k19 h SER 60 Cb 0.93 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2k19 h SER 60 CO 0.20 0.63 0.00 -0.09 -1.14 0.00 0.00 176.83 176.43 2k19 h ARG 61 N 1.12 0.03 -0.29 3.45 9.65 -1.62 -2.73 114.38 123.99 2k19 h ARG 61 Ca 0.41 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.35 2k19 h ARG 61 Cb 0.17 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.68 2k19 h ARG 61 CO -0.16 0.27 -0.14 1.98 2.80 0.00 0.00 179.97 184.72 2k19 h MET 62 N -0.21 -0.10 -0.90 0.20 4.05 0.01 -1.11 114.93 116.87 2k19 h MET 62 Ca 0.01 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.57 2k19 h MET 62 Cb 0.25 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 30.99 2k19 h MET 62 CO 0.00 -0.07 0.51 -0.91 0.23 0.00 0.00 176.91 176.68 2k19 h ASN 63 N -0.10 0.69 0.30 1.39 2.35 -1.35 0.40 115.58 119.26 2k19 h ASN 63 Ca 0.15 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2k19 h ASN 63 Cb 0.33 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2k19 h ASN 63 CO -0.36 0.32 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.60 2k19 h LEU 64 N 0.76 0.00 0.11 1.61 3.38 -0.90 -1.22 115.31 119.05 2k19 h LEU 64 Ca 0.48 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.10 2k19 h LEU 64 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2k19 h LEU 64 CO -0.32 0.07 -1.92 -0.67 0.09 0.00 0.00 178.44 175.69 2k19 n ASP 65 N -3.55 2.09 0.36 -0.43 -0.08 0.10 -3.71 116.55 111.34 2k19 n ASP 65 Ca -0.02 0.23 -0.17 0.00 -1.51 0.00 0.00 54.79 53.33 2k19 n ASP 65 Cb 0.19 -0.88 -0.09 0.00 2.34 0.00 0.00 41.12 42.69 2k19 n ASP 65 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2k19 h ILE 66 N -0.07 0.27 -0.85 5.18 2.04 -0.21 -0.21 117.51 123.66 2k19 h ILE 66 Ca -0.42 -0.17 0.19 0.00 1.00 0.00 0.00 64.86 65.47 2k19 h ILE 66 Cb 1.94 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.28 2k19 h ILE 66 CO 0.05 0.02 0.57 -1.28 0.00 0.00 0.00 178.15 177.50 2k19 h SER 67 N -1.03 0.35 -0.16 1.72 0.87 -1.44 -0.31 113.55 113.54 2k19 h SER 67 Ca -0.09 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 2k19 h SER 67 Cb 0.73 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2k19 h SER 67 CO 0.15 0.15 -0.45 0.11 -0.53 0.00 0.00 176.83 176.27 2k19 h LYS 68 N 0.35 0.58 -0.03 2.24 1.57 -1.58 -3.01 116.57 116.70 2k19 h LYS 68 Ca 0.43 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k19 h LYS 68 Cb 1.13 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2k19 h LYS 68 CO -0.14 1.04 0.15 0.00 -0.57 0.00 0.00 179.45 179.92 2k19 h ALA 69 N 0.55 1.25 -0.19 3.86 0.00 0.76 -1.31 119.26 124.18 2k19 h ALA 69 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k19 h ALA 69 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2k19 h ALA 69 CO 0.10 -0.16 0.00 -0.89 0.00 0.00 0.00 179.25 178.30 2k19 n ILE 70 N -3.15 0.00 -0.07 0.00 5.41 -1.01 -1.49 119.36 119.05 2k19 n ILE 70 Ca -0.02 1.21 -0.10 0.00 1.00 0.00 0.00 62.75 64.85 2k19 n ILE 70 Cb 0.22 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 36.92 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 0.35 0.00 0.38 0.11 -1.64 0.34 114.38 113.92 2k19 h ARG 71 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2k19 h ARG 71 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 2k19 h ARG 71 CO 0.00 0.28 0.00 0.09 0.10 0.00 0.00 179.97 180.44 2k19 n ASN 72 N -4.87 0.00 0.08 0.08 3.02 -0.51 -3.57 115.26 109.49 2k19 n ASN 72 Ca -0.02 0.69 -0.12 0.00 -0.03 0.00 0.00 54.58 55.10 2k19 n ASN 72 Cb 0.05 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.92 0.00 6.41 1.82 -1.35 -3.47 116.42 118.91 2k19 h ASP 73 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2k19 h ASP 73 Cb 0.00 0.36 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2k19 h ASP 73 CO 0.00 -0.39 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 2k19 n GLY 74 N -1.41 1.83 1.05 -0.78 0.00 0.12 -5.06 105.19 100.94 2k19 n GLY 74 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.46 0.00 -3.72 1.61 0.24 -1.05 -5.01 118.33 109.94 2k19 n VAL 75 Ca 0.00 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2k19 n VAL 75 Cb 0.00 -1.80 -0.13 0.00 -1.47 0.00 0.00 33.84 30.43 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 -1.78 -0.07 0.00 3.34 2.01 -1.26 -4.83 115.64 113.05 2k19 s THR 76 Ca 0.21 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2k19 s THR 76 Cb -0.01 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.13 2k19 s THR 76 CO 0.15 0.07 0.00 0.18 -0.69 0.00 0.00 174.62 174.32 2k19 n LEU 77 N 4.33 0.00 0.00 4.42 4.77 -1.26 -5.08 117.00 124.18 2k19 n LEU 77 Ca -0.24 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.67 2k19 n LEU 77 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2k19 n LEU 77 CO 0.13 0.00 0.47 -0.24 -1.33 0.00 0.00 177.39 176.42 2k19 n SER 78 N 0.00 -1.96 0.00 -1.43 2.88 -1.26 -4.97 113.62 106.88 2k19 n SER 78 Ca 0.00 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2k19 n SER 78 Cb 0.00 3.26 0.00 0.00 -0.75 0.00 0.00 64.21 66.72 2k19 n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k19 n ASP 79 N -1.45 0.00 -0.27 -3.46 -0.08 -1.26 0.06 116.55 110.09 2k19 n ASP 79 Ca -0.07 0.80 0.17 0.00 -1.51 0.00 0.00 54.79 54.17 2k19 n ASP 79 Cb 0.51 -0.30 0.46 0.00 2.34 0.00 0.00 41.12 44.13 2k19 n ASP 79 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2k19 h TYR 80 N 0.00 0.69 0.00 -0.67 -0.00 -1.98 0.05 116.97 115.05 2k19 h TYR 80 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2k19 h TYR 80 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 36.52 2k19 h TYR 80 CO -0.15 0.18 0.00 1.04 -0.00 0.00 0.00 178.16 179.23 2k19 n GLN 81 N -4.57 0.00 -0.30 0.10 1.13 -0.98 -0.03 117.38 112.73 2k19 n GLN 81 Ca 0.20 0.37 0.23 0.00 -1.94 0.00 0.00 57.00 55.86 2k19 n GLN 81 Cb 0.65 -1.36 0.53 0.00 0.11 0.00 0.00 30.24 30.17 2k19 n GLN 81 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2k19 h SER 82 N 0.00 0.40 0.30 1.08 4.64 -0.19 -0.86 113.55 118.92 2k19 h SER 82 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2k19 h SER 82 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k19 h SER 82 CO 0.00 0.10 -0.14 0.11 -0.87 0.00 0.00 176.83 176.03 2k19 h LYS 83 N 0.36 -0.39 -0.03 4.77 6.56 -0.90 -2.71 116.57 124.25 2k19 h LYS 83 Ca 0.55 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 60.18 2k19 h LYS 83 Cb 1.46 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.21 2k19 h LYS 83 CO -0.23 -0.10 0.12 1.57 -2.06 0.00 0.00 179.45 178.75 2k19 h LYS 84 N -0.67 0.00 -0.33 3.15 5.09 0.90 -0.49 116.57 124.23 2k19 h LYS 84 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.61 2k19 h LYS 84 Cb 0.47 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.78 2k19 h LYS 84 CO 0.07 0.00 -0.18 1.25 -2.09 0.00 0.00 179.45 178.50 2k19 h LEU 85 N 0.00 0.59 0.00 7.07 6.46 -0.97 -2.02 115.31 126.45 2k19 h LEU 85 Ca 0.01 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2k19 h LEU 85 Cb 0.24 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2k19 h LEU 85 CO -0.00 0.78 0.00 2.29 -0.62 0.00 0.00 178.44 180.89 2k19 n LYS 86 N -4.15 0.08 0.00 1.25 -0.00 -0.19 -3.37 118.16 111.78 2k19 n LYS 86 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 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 -1.43 0.00 0.00 -1.58 -0.58 -0.76 -2.61 120.64 113.68 2k19 n GLU 87 Ca 0.05 0.09 0.03 0.00 -0.42 0.00 0.00 57.16 56.92 2k19 n GLU 87 Cb 0.18 -1.08 0.14 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 -0.74 0.00 0.20 -4.62 -0.00 -1.25 -2.80 117.00 107.79 2k19 n LEU 88 Ca 0.00 0.45 -0.14 0.00 -0.00 0.00 0.00 56.01 56.32 2k19 n LEU 88 Cb 0.00 -0.45 -0.08 0.00 -0.00 0.00 0.00 43.42 42.90 2k19 n LEU 88 CO 0.00 -0.35 0.53 0.74 -0.00 0.00 0.00 177.39 178.31 2k19 h THR 89 N 0.00 0.56 0.00 1.47 2.02 -1.54 -2.08 112.91 113.34 2k19 h THR 89 Ca 0.00 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 2k19 h THR 89 Cb 0.10 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2k19 h THR 89 CO 0.00 0.08 -0.36 0.28 0.37 0.00 0.00 175.52 175.89 2k19 h SER 90 N -0.83 0.00 0.75 4.18 0.02 -1.33 -3.06 113.55 113.28 2k19 h SER 90 Ca -0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2k19 h SER 90 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2k19 h SER 90 CO 0.09 0.36 -0.31 0.40 -1.14 0.00 0.00 176.83 176.23 2k19 h ILE 91 N 0.00 0.81 -3.00 3.27 2.04 -1.51 -3.43 117.51 115.69 2k19 h ILE 91 Ca -0.00 -1.28 -0.54 0.00 1.00 0.00 0.00 64.86 64.04 2k19 h ILE 91 Cb 1.07 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2k19 h ILE 91 CO 0.05 0.30 0.74 -0.94 0.00 0.00 0.00 178.15 178.30 2k19 s SER 92 N -6.40 6.89 -1.31 1.72 1.04 -0.79 -4.93 113.70 109.93 2k19 s SER 92 Ca -0.01 2.15 -0.15 0.00 0.48 0.00 0.00 55.95 58.43 2k19 s SER 92 Cb 0.11 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.76 2k19 s SER 92 CO 0.67 -0.64 1.80 -3.20 0.98 0.00 0.00 173.24 172.84 2k19 n ASN 93 N 4.62 4.78 -3.44 7.02 2.85 -1.26 -4.85 115.26 124.97 2k19 n ASN 93 Ca 0.12 -2.94 -0.40 0.00 -0.11 0.00 0.00 54.58 51.25 2k19 n ASN 93 Cb 0.44 -1.66 -0.01 0.00 1.24 0.00 0.00 39.78 39.78 2k19 n ASN 93 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2k19 n ILE 94 N 5.38 4.75 -0.09 -1.44 5.41 -1.26 -4.32 119.36 127.80 2k19 n ILE 94 Ca 0.46 -3.56 -0.10 0.00 1.00 0.00 0.00 62.75 60.54 2k19 n ILE 94 Cb 0.43 -2.33 -0.12 0.00 -0.71 0.00 0.00 39.64 36.90 2k19 n ILE 94 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2k19 n ARG 95 N 2.77 1.07 -0.96 0.38 -4.01 -1.26 -5.00 116.66 109.65 2k19 n ARG 95 Ca 0.68 0.03 -0.29 0.00 -1.04 0.00 0.00 57.85 57.22 2k19 n ARG 95 Cb 0.25 -1.42 0.18 0.00 -3.04 0.00 0.00 32.46 28.42 2k19 n ARG 95 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2k19 s TYR 96 N -2.41 1.94 -0.44 2.89 2.02 -1.26 -4.92 117.35 115.17 2k19 s TYR 96 Ca -0.14 1.28 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 2k19 s TYR 96 Cb 0.06 -3.18 0.30 0.00 -0.40 0.00 0.00 41.96 38.73 2k19 s TYR 96 CO 0.62 -2.91 2.02 0.41 -1.57 0.00 0.00 175.55 174.13 2k19 n GLY 97 N -0.44 4.71 0.92 0.71 0.00 -1.26 -5.22 105.19 104.63 2k19 n GLY 97 Ca 0.06 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2k19 n GLY 97 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60