#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 -0.86 3.34 3.03 0.00 -1.26 -5.08 105.19 104.36 2k19 n GLY 2 Ca 0.00 -1.09 -0.47 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 3.61 0.07 1.61 -0.14 -1.26 -5.04 119.74 116.59 2k19 s LYS 3 Ca 0.00 -2.39 -0.31 0.00 -1.36 0.00 0.00 55.97 51.92 2k19 s LYS 3 Cb 0.00 -4.49 -0.06 0.00 -1.68 0.00 0.00 37.83 31.60 2k19 s LYS 3 CO 0.00 -1.35 1.26 -1.17 -0.76 0.00 0.00 175.35 173.33 2k19 s LEU 4 N 0.45 4.36 0.00 3.17 2.96 -1.26 -4.90 118.68 123.46 2k19 s LEU 4 Ca 0.20 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2k19 s LEU 4 Cb -0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2k19 s LEU 4 CO -0.09 -0.54 0.56 2.29 -1.32 0.00 0.00 176.35 177.25 2k19 n LYS 5 N 4.06 -0.44 -1.83 1.98 2.85 -1.26 -4.85 118.16 118.68 2k19 n LYS 5 Ca 0.10 -0.62 -0.30 0.00 -1.05 0.00 0.00 58.31 56.44 2k19 n LYS 5 Cb 0.45 -0.99 0.07 0.00 -0.65 0.00 0.00 35.03 33.91 2k19 n LYS 5 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k19 s TRP 6 N -0.13 3.11 -0.07 5.58 0.52 -1.26 -4.95 118.94 121.74 2k19 s TRP 6 Ca 0.00 0.97 0.14 0.00 0.02 0.00 0.00 56.10 57.23 2k19 s TRP 6 Cb 0.00 -3.21 -0.17 0.00 -1.15 0.00 0.00 33.47 28.94 2k19 s TRP 6 CO 0.00 -1.48 0.85 0.27 0.02 0.00 0.00 176.95 176.60 2k19 h PHE 7 N -0.87 0.00 -2.48 -1.98 -5.15 -1.96 -3.46 116.94 101.04 2k19 h PHE 7 Ca -0.46 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 56.75 2k19 h PHE 7 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.44 2k19 h PHE 7 CO 0.43 0.78 1.24 0.45 -2.00 0.00 0.00 178.31 179.21 2k19 s SER 8 N -6.04 6.19 0.00 -0.68 0.15 -1.26 -4.90 113.70 107.17 2k19 s SER 8 Ca -0.03 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.60 2k19 s SER 8 Cb 0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2k19 s SER 8 CO 0.81 -1.36 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2k19 n GLY 9 N 4.86 -0.11 0.00 9.45 0.00 -1.26 -5.09 105.19 113.04 2k19 n GLY 9 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 3.29 -0.25 2.19 -0.02 0.00 -1.26 -4.99 105.19 104.15 2k19 n GLY 10 Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 2k19 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k19 n LYS 11 N 0.00 2.72 -3.09 1.61 3.00 -1.26 -4.64 118.16 116.50 2k19 n LYS 11 Ca 0.00 -1.70 -0.18 0.00 -0.00 0.00 0.00 58.31 56.43 2k19 n LYS 11 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 35.03 32.74 2k19 n LYS 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k19 n GLU 12 N 2.51 -2.88 0.19 1.64 1.02 -1.26 -4.80 120.64 117.06 2k19 n GLU 12 Ca 0.55 0.41 0.05 0.00 -0.02 0.00 0.00 57.16 58.15 2k19 n GLU 12 Cb 0.63 -5.05 0.38 0.00 -0.02 0.00 0.00 31.44 27.39 2k19 n GLU 12 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2k19 h ARG 13 N -0.58 0.00 -0.10 3.49 2.43 -1.96 -2.93 114.38 114.73 2k19 h ARG 13 Ca -0.34 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.64 2k19 h ARG 13 Cb 1.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2k19 h ARG 13 CO 0.43 0.36 -0.73 0.77 -1.51 0.00 0.00 179.97 179.29 2k19 h SER 14 N 0.00 0.58 0.74 -3.80 0.02 -1.96 -2.96 113.55 106.17 2k19 h SER 14 Ca -0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2k19 h SER 14 Cb 0.77 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2k19 h SER 14 CO 0.05 1.13 0.00 -1.13 -1.14 0.00 0.00 176.83 175.73 2k19 h ASN 15 N 0.33 0.00 0.08 3.07 -1.24 -1.90 -3.09 115.58 112.83 2k19 h ASN 15 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2k19 h ASN 15 Cb 1.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 2k19 h ASN 15 CO 0.13 0.00 -0.07 -0.61 -1.29 0.00 0.00 177.43 175.59 2k19 h GLN 16 N 0.00 -0.15 -0.39 6.67 5.75 -1.47 -2.13 115.11 123.38 2k19 h GLN 16 Ca 0.00 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2k19 h GLN 16 Cb 0.37 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.87 2k19 h GLN 16 CO 0.00 -0.10 -0.14 0.00 -2.65 0.00 0.00 178.83 175.94 2k19 h ALA 17 N 0.76 0.19 -0.28 3.38 0.00 -1.70 0.15 119.26 121.76 2k19 h ALA 17 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2k19 h ALA 17 Cb 0.14 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2k19 h ALA 17 CO -0.01 -0.50 -0.06 1.49 0.00 0.00 0.00 179.25 180.17 2k19 h GLU 18 N -0.06 0.01 -0.96 0.00 4.22 -1.65 -1.29 114.58 114.85 2k19 h GLU 18 Ca 0.19 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.67 2k19 h GLU 18 Cb 0.35 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2k19 h GLU 18 CO -0.44 0.01 0.63 -0.97 -2.18 0.00 0.00 179.01 176.06 2k19 h ASN 19 N 0.01 1.04 0.12 1.04 -1.24 -0.66 -2.64 115.58 113.25 2k19 h ASN 19 Ca 0.13 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2k19 h ASN 19 Cb 0.20 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 2k19 h ASN 19 CO -0.28 0.71 -0.07 0.40 -1.29 0.00 0.00 177.43 176.90 2k19 h ILE 20 N 1.20 0.85 -0.82 2.57 2.04 -0.08 -2.68 117.51 120.59 2k19 h ILE 20 Ca 0.39 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.41 2k19 h ILE 20 Cb 0.02 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 2k19 h ILE 20 CO -0.13 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.79 2k19 h ILE 21 N -0.18 0.64 -0.20 -0.67 2.04 -0.93 0.30 117.51 118.51 2k19 h ILE 21 Ca -0.01 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2k19 h ILE 21 Cb 0.15 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2k19 h ILE 21 CO 0.02 0.09 0.16 0.74 0.00 0.00 0.00 178.15 179.16 2k19 h THR 22 N 0.50 0.78 0.15 -0.27 2.02 -1.17 -2.64 112.91 112.28 2k19 h THR 22 Ca 0.47 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.64 2k19 h THR 22 Cb 0.74 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2k19 h THR 22 CO -0.42 0.00 -0.07 -0.78 0.37 0.00 0.00 175.52 174.62 2k19 h ASP 23 N 0.00 -0.17 -1.06 4.18 3.58 -0.25 -2.63 116.42 120.07 2k19 h ASP 23 Ca 0.10 0.01 0.28 0.00 0.42 0.00 0.00 57.03 57.83 2k19 h ASP 23 Cb 0.42 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.42 2k19 h ASP 23 CO -0.00 -0.12 0.69 -0.07 -2.88 0.00 0.00 179.24 176.86 2k19 h LEU 24 N -0.21 0.39 -0.12 2.28 3.38 -1.53 0.07 115.31 119.57 2k19 h LEU 24 Ca -0.02 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2k19 h LEU 24 Cb 0.16 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2k19 h LEU 24 CO 0.03 0.06 -0.14 -0.07 0.09 0.00 0.00 178.44 178.42 2k19 h LEU 25 N 0.34 -0.42 -0.36 1.67 -0.00 -1.33 0.16 115.31 115.36 2k19 h LEU 25 Ca 0.60 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 58.55 2k19 h LEU 25 Cb 1.63 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 42.48 2k19 h LEU 25 CO -0.28 -0.18 0.16 -0.78 -0.00 0.00 0.00 178.44 177.36 2k19 h ASP 26 N -0.17 0.49 -0.01 -0.43 1.82 -0.62 -2.40 116.42 115.09 2k19 h ASP 26 Ca 0.09 -0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2k19 h ASP 26 Cb 0.30 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 2k19 h ASP 26 CO -0.22 0.50 0.00 0.44 -1.61 0.00 0.00 179.24 178.35 2k19 h ASP 27 N 0.44 0.04 0.68 2.28 5.19 -0.99 -0.55 116.42 123.51 2k19 h ASP 27 Ca 0.12 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2k19 h ASP 27 Cb 0.15 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2k19 h ASP 27 CO -0.01 0.04 -0.21 -0.07 -3.12 0.00 0.00 179.24 175.87 2k19 h LEU 28 N 0.04 0.00 -1.89 1.55 3.38 -0.17 -2.94 115.31 115.28 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 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2k19 h LEU 28 CO 0.00 0.21 0.74 0.07 0.09 0.00 0.00 178.44 179.55 2k19 h LYS 29 N 0.00 0.07 0.09 1.13 2.10 -0.95 0.26 116.57 119.27 2k19 h LYS 29 Ca -0.00 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.35 2k19 h LYS 29 Cb 0.61 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2k19 h LYS 29 CO 0.03 0.05 -1.48 1.79 -2.00 0.00 0.00 179.45 177.83 2k19 h THR 30 N 0.07 1.19 -2.99 0.07 1.35 -1.68 -3.46 112.91 107.46 2k19 h THR 30 Ca 0.51 -2.86 -0.53 0.00 -0.55 0.00 0.00 66.41 62.98 2k19 h THR 30 Cb 1.91 2.74 0.05 0.00 -1.73 0.00 0.00 68.15 71.11 2k19 h THR 30 CO -0.05 0.81 0.85 -0.62 -0.25 0.00 0.00 175.52 176.25 2k19 s ASP 31 N -6.87 6.60 -0.47 5.36 -1.08 0.90 -4.90 116.67 116.21 2k19 s ASP 31 Ca -0.07 2.64 -0.02 0.00 -0.52 0.00 0.00 52.55 54.58 2k19 s ASP 31 Cb 0.07 -2.60 0.28 0.00 -1.46 0.00 0.00 42.92 39.21 2k19 s ASP 31 CO 0.85 -0.79 2.10 0.18 0.52 0.00 0.00 175.17 178.02 2k19 n LEU 32 N 3.47 6.93 0.00 -1.34 7.99 -1.26 -4.90 117.00 127.90 2k19 n LEU 32 Ca 0.12 -3.77 -0.10 0.00 -0.01 0.00 0.00 56.01 52.25 2k19 n LEU 32 Cb 0.39 -1.05 0.00 0.00 -0.11 0.00 0.00 43.42 42.65 2k19 n LEU 32 CO 0.61 1.38 0.32 -0.67 -1.51 0.00 0.00 177.39 177.52 2k19 n ASP 33 N -0.06 -1.62 -4.34 -1.43 2.03 -1.26 -4.94 116.55 104.94 2k19 n ASP 33 Ca 0.44 -2.48 -0.39 0.00 0.52 0.00 0.00 54.79 52.88 2k19 n ASP 33 Cb 0.59 2.80 -0.06 0.00 -0.72 0.00 0.00 41.12 43.73 2k19 n ASP 33 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k19 n ASN 34 N -1.55 -2.14 0.17 1.67 0.23 -1.26 -4.78 115.26 107.59 2k19 n ASN 34 Ca -0.04 -1.08 0.01 0.00 -0.53 0.00 0.00 54.58 52.94 2k19 n ASN 34 Cb 0.51 -1.84 0.28 0.00 -2.08 0.00 0.00 39.78 36.65 2k19 n ASN 34 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2k19 h GLU 35 N -0.95 0.00 0.00 -3.83 5.08 -1.92 -3.01 114.58 109.96 2k19 h GLU 35 Ca -0.56 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 2k19 h GLU 35 Cb 1.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2k19 h GLU 35 CO 0.82 0.48 -1.42 0.43 -1.00 0.00 0.00 179.01 178.31 2k19 n SER 36 N -3.94 0.70 0.06 1.42 7.64 -1.26 -4.05 113.62 114.18 2k19 n SER 36 Ca -0.01 0.29 0.10 0.00 1.01 0.00 0.00 58.87 60.26 2k19 n SER 36 Cb 0.50 0.52 0.55 0.00 -1.01 0.00 0.00 64.21 64.76 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 0.23 -1.91 -3.43 7.12 -1.90 -1.16 115.31 114.27 2k19 h LEU 37 Ca -0.12 -0.00 0.20 0.00 0.13 0.00 0.00 57.88 58.09 2k19 h LEU 37 Cb 1.38 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.43 2k19 h LEU 37 CO 0.03 0.16 0.62 0.11 -0.13 0.00 0.00 178.44 179.22 2k19 h LYS 38 N 0.27 0.00 -0.94 1.25 1.57 -1.70 0.84 116.57 117.86 2k19 h LYS 38 Ca 0.15 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.12 2k19 h LYS 38 Cb 0.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2k19 h LYS 38 CO -0.03 0.00 0.60 1.57 -0.57 0.00 0.00 179.45 181.02 2k19 h LYS 39 N 0.00 0.61 0.37 3.15 2.10 -1.48 0.19 116.57 121.51 2k19 h LYS 39 Ca 0.33 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.93 2k19 h LYS 39 Cb 1.57 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2k19 h LYS 39 CO -0.00 0.40 -0.18 0.28 -2.00 0.00 0.00 179.45 177.95 2k19 h VAL 40 N 0.62 0.51 -0.00 0.07 2.07 -1.03 -1.11 116.25 117.39 2k19 h VAL 40 Ca 0.50 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2k19 h VAL 40 Cb 0.94 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2k19 h VAL 40 CO -0.25 0.10 -0.14 -0.07 0.02 0.00 0.00 177.57 177.22 2k19 h LEU 41 N -0.91 -0.41 -0.01 2.57 -0.00 -1.50 -1.31 115.31 113.74 2k19 h LEU 41 Ca -0.05 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 2k19 h LEU 41 Cb 0.54 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.34 2k19 h LEU 41 CO 0.08 -0.20 -0.17 -0.33 -0.00 0.00 0.00 178.44 177.82 2k19 h GLU 42 N -0.24 -0.26 0.03 1.13 5.08 -0.72 0.33 114.58 119.94 2k19 h GLU 42 Ca 0.05 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k19 h GLU 42 Cb 0.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k19 h GLU 42 CO -0.14 -0.17 -0.09 -0.91 -1.00 0.00 0.00 179.01 176.69 2k19 h ASN 43 N -0.27 -0.27 -1.00 1.42 -0.26 -0.96 -0.24 115.58 114.00 2k19 h ASN 43 Ca 0.06 0.03 0.18 0.00 -0.56 0.00 0.00 56.30 56.00 2k19 h ASN 43 Cb 0.35 0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.61 2k19 h ASN 43 CO -0.17 -0.10 0.62 1.88 -1.06 0.00 0.00 177.43 178.59 2k19 h TYR 44 N -0.14 1.06 -0.86 1.19 0.05 -1.22 0.10 116.97 117.16 2k19 h TYR 44 Ca -0.00 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.88 2k19 h TYR 44 Cb 0.14 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.49 2k19 h TYR 44 CO -0.29 0.27 0.56 1.25 -1.05 0.00 0.00 178.16 178.91 2k19 h LEU 45 N 0.79 0.82 -1.18 3.88 6.46 0.22 -0.45 115.31 125.86 2k19 h LEU 45 Ca 0.56 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 58.24 2k19 h LEU 45 Cb 0.83 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2k19 h LEU 45 CO -0.35 0.52 -0.39 -0.33 -0.62 0.00 0.00 178.44 177.27 2k19 h GLU 46 N 0.93 0.04 -0.86 1.25 5.08 0.10 -2.96 114.58 118.16 2k19 h GLU 46 Ca 0.38 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.82 2k19 h GLU 46 Cb 0.27 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 2k19 h GLU 46 CO -0.14 0.42 0.50 0.93 -1.00 0.00 0.00 179.01 179.72 2k19 h GLU 47 N 0.03 0.81 -0.05 2.33 4.39 -0.79 0.11 114.58 121.42 2k19 h GLU 47 Ca 0.00 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k19 h GLU 47 Cb 0.70 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k19 h GLU 47 CO 0.05 0.54 0.08 -0.07 -1.16 0.00 0.00 179.01 178.45 2k19 h LEU 48 N 0.84 0.00 -0.09 1.33 4.07 -1.52 -1.69 115.31 118.25 2k19 h LEU 48 Ca 0.41 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.24 2k19 h LEU 48 Cb 0.37 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.12 2k19 h LEU 48 CO -0.25 0.00 -0.45 0.11 -1.08 0.00 0.00 178.44 176.77 2k19 h LYS 49 N 0.00 0.47 -7.53 1.13 1.79 -0.89 -3.46 116.57 108.07 2k19 h LYS 49 Ca 0.02 -0.38 -0.47 0.00 -2.18 0.00 0.00 60.65 57.64 2k19 h LYS 49 Cb 0.17 0.08 0.11 0.00 -1.58 0.00 0.00 32.23 31.01 2k19 h LYS 49 CO -0.00 1.01 0.37 -0.65 -1.08 0.00 0.00 179.45 179.11 2k19 s GLN 50 N -3.66 1.92 -0.14 3.15 -0.21 -0.64 -4.99 119.66 115.10 2k19 s GLN 50 Ca -0.13 0.29 0.15 0.00 0.02 0.00 0.00 55.36 55.69 2k19 s GLN 50 Cb 0.05 -1.93 0.54 0.00 1.00 0.00 0.00 33.01 32.67 2k19 s GLN 50 CO 0.81 -1.66 1.45 0.36 -2.12 0.00 0.00 175.29 174.14 2k19 n LYS 51 N -3.40 3.26 -0.01 2.91 2.85 -1.26 -4.67 118.16 117.85 2k19 n LYS 51 Ca 0.07 -2.71 -0.00 0.00 -1.05 0.00 0.00 58.31 54.62 2k19 n LYS 51 Cb 0.59 -1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 33.20 2k19 n LYS 51 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k19 h SER 52 N 2.44 0.00 -3.65 -5.58 0.87 -1.94 -3.47 113.55 102.22 2k19 h SER 52 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2k19 h SER 52 Cb 1.35 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.33 2k19 h SER 52 CO 0.21 0.07 0.52 0.00 -0.53 0.00 0.00 176.83 177.09 2k19 s ALA 53 N -2.96 3.42 0.44 6.23 0.00 -1.26 -5.00 121.76 122.63 2k19 s ALA 53 Ca -0.01 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 2k19 s ALA 53 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 2k19 s ALA 53 CO 0.01 -0.29 1.14 -1.12 0.00 0.00 0.00 175.76 175.50 2k19 s SER 54 N -0.34 6.33 0.12 0.00 0.01 -1.26 -4.85 113.70 113.70 2k19 s SER 54 Ca 0.49 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.68 2k19 s SER 54 Cb -0.32 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.22 2k19 s SER 54 CO 0.39 -0.80 1.58 0.58 0.41 0.00 0.00 173.24 175.40 2k19 h VAL 55 N 1.96 0.15 0.00 3.43 2.07 -1.90 -0.59 116.25 121.37 2k19 h VAL 55 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k19 h VAL 55 Cb 1.24 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2k19 h VAL 55 CO 0.61 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.75 2k19 h PRO 56 N -0.59 0.00 0.00 1.57 0.13 -1.93 -2.60 132.00 128.59 2k19 h PRO 56 Ca 0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 2k19 h PRO 56 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2k19 h PRO 56 CO -0.31 0.00 -0.61 1.25 -0.23 0.00 0.00 178.00 178.10 2k19 h LEU 57 N 0.00 0.00 0.00 1.56 5.85 -1.52 -2.89 115.31 118.31 2k19 h LEU 57 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2k19 h LEU 57 Cb 0.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2k19 h LEU 57 CO 0.00 0.61 -0.83 0.40 -0.34 0.00 0.00 178.44 178.28 2k19 h ILE 58 N 0.00 0.98 -0.16 4.05 2.04 -0.88 -3.29 117.51 120.24 2k19 h ILE 58 Ca -0.01 -2.04 0.05 0.00 1.00 0.00 0.00 64.86 63.86 2k19 h ILE 58 Cb 1.44 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2k19 h ILE 58 CO 0.08 0.33 0.12 -0.07 0.00 0.00 0.00 178.15 178.62 2k19 h LEU 59 N -1.00 0.00 0.62 1.44 3.38 -1.63 0.25 115.31 118.38 2k19 h LEU 59 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2k19 h LEU 59 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k19 h LEU 59 CO -0.13 0.00 -0.30 -1.28 0.09 0.00 0.00 178.44 176.82 2k19 h SER 60 N 0.00 -0.71 -0.07 -0.43 0.87 -1.65 -2.82 113.55 108.74 2k19 h SER 60 Ca 0.08 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2k19 h SER 60 Cb 0.33 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2k19 h SER 60 CO -0.00 -0.38 -0.15 0.03 -0.53 0.00 0.00 176.83 175.81 2k19 h ARG 61 N -1.10 0.41 0.07 2.24 3.08 -1.57 -3.13 114.38 114.37 2k19 h ARG 61 Ca -0.09 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.87 2k19 h ARG 61 Cb 0.64 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 2k19 h ARG 61 CO 0.14 0.55 -0.44 1.98 -1.07 0.00 0.00 179.97 181.13 2k19 h MET 62 N 0.38 -0.62 -0.85 0.04 4.05 -0.53 0.78 114.93 118.18 2k19 h MET 62 Ca 0.07 0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.69 2k19 h MET 62 Cb 0.48 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.36 2k19 h MET 62 CO 0.03 -0.41 0.56 -0.91 0.23 0.00 0.00 176.91 176.41 2k19 h ASN 63 N -0.64 0.54 0.80 1.39 2.35 -1.45 0.38 115.58 118.95 2k19 h ASN 63 Ca 0.03 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2k19 h ASN 63 Cb 0.68 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2k19 h ASN 63 CO -0.28 0.27 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.37 2k19 h LEU 64 N 0.57 0.00 0.00 1.61 3.38 -1.16 -1.79 115.31 117.92 2k19 h LEU 64 Ca 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.31 2k19 h LEU 64 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2k19 h LEU 64 CO -0.18 0.32 -0.59 -0.78 0.09 0.00 0.00 178.44 177.30 2k19 h ASP 65 N 0.00 0.00 -0.08 -0.43 1.82 0.18 -3.26 116.42 114.66 2k19 h ASP 65 Ca -0.00 -0.45 0.03 0.00 -0.39 0.00 0.00 57.03 56.21 2k19 h ASP 65 Cb 0.81 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.79 2k19 h ASP 65 CO 0.04 1.06 -0.08 0.40 -1.61 0.00 0.00 179.24 179.06 2k19 h ILE 66 N -1.00 0.77 -0.71 2.25 2.04 -0.55 -0.89 117.51 119.42 2k19 h ILE 66 Ca -0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.87 2k19 h ILE 66 Cb 0.86 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2k19 h ILE 66 CO -0.08 0.00 0.48 -1.28 0.00 0.00 0.00 178.15 177.27 2k19 h SER 67 N -0.10 0.35 -0.17 1.72 0.87 -1.52 -1.08 113.55 113.62 2k19 h SER 67 Ca 0.06 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2k19 h SER 67 Cb 0.19 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2k19 h SER 67 CO -0.14 0.19 -0.44 0.11 -0.53 0.00 0.00 176.83 176.01 2k19 h LYS 68 N 0.37 0.59 -0.02 2.24 1.57 -1.34 -3.00 116.57 116.98 2k19 h LYS 68 Ca 0.35 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2k19 h LYS 68 Cb 0.82 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2k19 h LYS 68 CO -0.10 1.03 0.14 0.00 -0.57 0.00 0.00 179.45 179.95 2k19 h ALA 69 N 0.56 1.23 -0.25 3.86 0.00 0.12 -1.42 119.26 123.37 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 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k19 h ALA 69 CO 0.10 -0.15 0.00 -0.89 0.00 0.00 0.00 179.25 178.30 2k19 n ILE 70 N -3.13 0.00 -0.06 0.00 5.41 -1.04 -1.48 119.36 119.05 2k19 n ILE 70 Ca -0.02 1.23 -0.10 0.00 1.00 0.00 0.00 62.75 64.86 2k19 n ILE 70 Cb 0.21 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 36.90 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 0.33 0.00 0.38 0.11 -1.65 0.34 114.38 113.89 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 -4.88 0.00 0.08 0.08 3.02 -0.55 -3.58 115.26 109.44 2k19 n ASN 72 Ca -0.03 0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 55.07 2k19 n ASN 72 Cb 0.06 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.88 0.00 6.41 1.82 -1.35 -3.47 116.42 118.95 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 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2k19 h ASP 73 CO 0.00 -0.37 0.00 0.61 -1.61 0.00 0.00 179.24 177.87 2k19 n GLY 74 N -1.40 1.95 1.27 -0.78 0.00 0.12 -5.06 105.19 101.29 2k19 n GLY 74 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.40 0.00 -3.70 1.61 0.24 -1.03 -5.02 118.33 110.04 2k19 n VAL 75 Ca 0.00 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2k19 n VAL 75 Cb 0.00 -1.78 -0.12 0.00 -1.47 0.00 0.00 33.84 30.47 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 -1.94 -0.13 0.00 3.34 2.01 -1.26 -4.85 115.64 112.80 2k19 s THR 76 Ca 0.25 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2k19 s THR 76 Cb -0.01 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.98 2k19 s THR 76 CO 0.18 0.06 0.00 0.18 -0.69 0.00 0.00 174.62 174.34 2k19 n LEU 77 N 4.48 0.00 0.00 4.42 4.77 -1.26 -5.12 117.00 124.29 2k19 n LEU 77 Ca -0.21 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 2k19 n LEU 77 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2k19 n LEU 77 CO 0.09 -0.12 0.42 -0.24 -1.33 0.00 0.00 177.39 176.21 2k19 n SER 78 N -0.47 -1.81 0.00 -1.43 2.88 -1.26 -4.96 113.62 106.57 2k19 n SER 78 Ca 0.00 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 2k19 n SER 78 Cb 0.00 3.02 0.00 0.00 -0.75 0.00 0.00 64.21 66.48 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 -1.43 0.00 -0.29 -3.46 2.03 -1.26 0.13 116.55 112.28 2k19 n ASP 79 Ca -0.07 0.87 0.13 0.00 0.52 0.00 0.00 54.79 56.25 2k19 n ASP 79 Cb 0.47 -0.37 0.38 0.00 -0.72 0.00 0.00 41.12 40.88 2k19 n ASP 79 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2k19 h TYR 80 N 0.00 0.83 0.00 -0.67 -0.00 -1.98 0.39 116.97 115.54 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 -0.26 0.00 0.00 -0.00 0.00 0.00 36.73 36.47 2k19 h TYR 80 CO -0.18 0.27 0.00 1.04 -0.00 0.00 0.00 178.16 179.29 2k19 n GLN 81 N -4.59 0.00 -0.28 0.10 6.02 -0.99 -0.03 117.38 117.61 2k19 n GLN 81 Ca 0.19 0.30 0.27 0.00 -0.01 0.00 0.00 57.00 57.75 2k19 n GLN 81 Cb 0.52 -1.30 0.62 0.00 1.02 0.00 0.00 30.24 31.10 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 0.16 1.08 0.87 -0.20 -0.34 113.55 115.35 2k19 h SER 82 Ca 0.00 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2k19 h SER 82 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k19 h SER 82 CO 0.00 0.06 -0.08 0.11 -0.53 0.00 0.00 176.83 176.39 2k19 h LYS 83 N 0.21 -0.21 -0.05 2.24 1.57 -0.81 -2.84 116.57 116.68 2k19 h LYS 83 Ca 0.54 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.35 2k19 h LYS 83 Cb 1.71 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 2k19 h LYS 83 CO -0.15 0.12 0.11 1.57 -0.57 0.00 0.00 179.45 180.54 2k19 h LYS 84 N -0.56 0.00 0.00 3.15 5.09 0.13 -0.50 116.57 123.87 2k19 h LYS 84 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 2k19 h LYS 84 Cb 0.43 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.76 2k19 h LYS 84 CO 0.04 0.00 -0.06 1.25 -2.09 0.00 0.00 179.45 178.59 2k19 h LEU 85 N 0.00 0.00 0.00 7.07 6.46 -1.10 0.18 115.31 127.92 2k19 h LEU 85 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2k19 h LEU 85 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2k19 h LEU 85 CO -0.00 0.06 0.00 2.29 -0.62 0.00 0.00 178.44 180.17 2k19 n LYS 86 N -4.44 0.14 0.00 1.25 2.85 -0.19 -3.00 118.16 114.76 2k19 n LYS 86 Ca -0.03 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2k19 n LYS 86 Cb 0.14 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 2k19 n LYS 86 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k19 n GLU 87 N -1.38 0.00 0.01 -1.58 -0.58 0.05 -2.32 120.64 114.84 2k19 n GLU 87 Ca 0.06 0.04 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 2k19 n GLU 87 Cb 0.16 -0.86 0.11 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.61 0.03 -0.02 -4.62 -0.00 -1.25 -2.14 117.00 108.38 2k19 n LEU 88 Ca 0.00 0.51 -0.15 0.00 -0.00 0.00 0.00 56.01 56.37 2k19 n LEU 88 Cb 0.00 -0.51 -0.10 0.00 -0.00 0.00 0.00 43.42 42.80 2k19 n LEU 88 CO 0.00 -0.45 0.39 0.74 -0.00 0.00 0.00 177.39 178.07 2k19 h THR 89 N 0.00 1.47 -0.02 1.47 2.02 -1.58 -2.39 112.91 113.88 2k19 h THR 89 Ca 0.00 -1.86 -0.23 0.00 0.77 0.00 0.00 66.41 65.09 2k19 h THR 89 Cb 0.07 2.53 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2k19 h THR 89 CO 0.00 0.53 -0.93 0.77 0.37 0.00 0.00 175.52 176.26 2k19 h SER 90 N -0.27 0.66 0.29 4.18 4.64 -1.01 -3.18 113.55 118.86 2k19 h SER 90 Ca -0.03 -0.51 -0.07 0.00 -0.47 0.00 0.00 61.79 60.71 2k19 h SER 90 Cb 1.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2k19 h SER 90 CO 0.07 1.30 -0.31 0.40 -0.87 0.00 0.00 176.83 177.42 2k19 h ILE 91 N 0.31 1.23 0.00 0.95 2.04 -1.58 -2.15 117.51 118.30 2k19 h ILE 91 Ca -0.08 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 2k19 h ILE 91 Cb 1.56 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2k19 h ILE 91 CO 0.17 0.32 -0.10 -1.28 0.00 0.00 0.00 178.15 177.25 2k19 h SER 92 N 0.03 0.00 -6.09 1.72 0.87 -1.41 -3.47 113.55 105.20 2k19 h SER 92 Ca 0.00 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 2k19 h SER 92 Cb 0.57 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.57 2k19 h SER 92 CO 0.04 0.10 -0.77 0.59 -0.53 0.00 0.00 176.83 176.27 2k19 n ASN 93 N -3.23 -3.70 0.05 6.23 4.13 -0.81 -4.90 115.26 113.03 2k19 n ASN 93 Ca 0.01 -0.73 -0.18 0.00 1.68 0.00 0.00 54.58 55.35 2k19 n ASN 93 Cb 0.38 -4.27 -0.14 0.00 -1.54 0.00 0.00 39.78 34.21 2k19 n ASN 93 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2k19 h ILE 94 N -2.12 1.01 0.00 2.41 2.04 -1.85 -3.31 117.51 115.69 2k19 h ILE 94 Ca -0.59 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 62.59 2k19 h ILE 94 Cb 1.37 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 40.15 2k19 h ILE 94 CO 0.60 0.81 -0.07 0.03 0.00 0.00 0.00 178.15 179.53 2k19 h ARG 95 N 0.07 0.00 -6.07 2.37 3.08 -1.90 -3.43 114.38 108.50 2k19 h ARG 95 Ca -0.29 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.20 2k19 h ARG 95 Cb 2.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.05 2k19 h ARG 95 CO 0.15 0.07 -0.28 0.71 -1.07 0.00 0.00 179.97 179.55 2k19 s TYR 96 N -4.15 1.70 0.00 3.04 1.51 -1.25 -5.04 117.35 113.17 2k19 s TYR 96 Ca -0.03 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 2k19 s TYR 96 Cb 0.13 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 2k19 s TYR 96 CO 0.54 -0.54 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 2k19 n GLY 97 N -1.81 0.00 0.59 0.71 0.00 -1.26 -4.99 105.19 98.43 2k19 n GLY 97 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2k19 n GLY 97 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90