#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 0.73 -1.44 -5.12 0.00 -1.26 -4.88 107.32 95.34 2k19 s GLY 2 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 44.72 43.05 2k19 s GLY 2 CO 0.00 2.06 1.01 0.28 0.00 0.00 0.00 173.10 176.45 2k19 n LYS 3 N 4.53 -6.21 -1.66 2.90 4.01 -1.26 -4.96 118.16 115.51 2k19 n LYS 3 Ca 0.04 0.68 -0.31 0.00 -0.51 0.00 0.00 58.31 58.21 2k19 n LYS 3 Cb 0.39 -5.58 0.04 0.00 -0.51 0.00 0.00 35.03 29.37 2k19 n LYS 3 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2k19 s LEU 4 N -7.18 3.10 -0.17 -0.35 2.96 -1.26 -5.06 118.68 110.72 2k19 s LEU 4 Ca 0.53 1.51 -0.01 0.00 -0.22 0.00 0.00 54.13 55.95 2k19 s LEU 4 Cb -0.26 -4.41 -0.00 0.00 0.50 0.00 0.00 46.19 42.02 2k19 s LEU 4 CO 0.80 -1.33 -0.12 -1.59 -1.32 0.00 0.00 176.35 172.78 2k19 s LYS 5 N -5.11 3.29 0.50 1.98 -2.85 -1.26 -4.97 119.74 111.33 2k19 s LYS 5 Ca 0.57 -0.70 -0.09 0.00 -1.00 0.00 0.00 55.97 54.76 2k19 s LYS 5 Cb -0.13 -2.73 0.12 0.00 -2.06 0.00 0.00 37.83 33.02 2k19 s LYS 5 CO 0.55 -0.01 0.65 0.91 0.10 0.00 0.00 175.35 177.54 2k19 n TRP 6 N 4.18 -3.92 -0.07 1.78 7.02 -1.26 -5.03 117.44 120.13 2k19 n TRP 6 Ca -0.19 -0.57 -0.11 0.00 -1.02 0.00 0.00 57.50 55.61 2k19 n TRP 6 Cb 0.52 -0.52 -0.08 0.00 -2.42 0.00 0.00 31.31 28.80 2k19 n TRP 6 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 2k19 h PHE 7 N -1.49 0.00 -0.50 -5.99 0.04 -2.03 -3.37 116.94 103.60 2k19 h PHE 7 Ca -0.21 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.43 2k19 h PHE 7 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2k19 h PHE 7 CO 0.00 0.73 -0.19 1.03 -0.60 0.00 0.00 178.31 179.28 2k19 h SER 8 N -1.00 1.04 0.00 2.17 0.87 -2.06 -3.49 113.55 111.08 2k19 h SER 8 Ca -0.06 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k19 h SER 8 Cb 0.74 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2k19 h SER 8 CO -0.04 1.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 2k19 n GLY 9 N -0.15 4.15 0.93 5.77 0.00 -1.26 -5.13 105.19 109.50 2k19 n GLY 9 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.50 -3.72 0.16 -0.02 0.00 -1.26 -4.86 105.19 94.98 2k19 n GLY 10 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.00 -5.56 1.61 -0.00 -2.00 -3.39 116.57 107.22 2k19 h LYS 11 Ca -0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 60.65 60.14 2k19 h LYS 11 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.56 2k19 h LYS 11 CO 0.07 0.00 1.26 -1.83 -0.00 0.00 0.00 179.45 178.95 2k19 s GLU 12 N -3.32 2.78 0.10 0.07 -1.05 -1.26 -4.68 118.70 111.34 2k19 s GLU 12 Ca 0.05 -1.26 -0.05 0.00 -0.15 0.00 0.00 54.97 53.56 2k19 s GLU 12 Cb 0.10 -5.29 -0.20 0.00 -0.44 0.00 0.00 34.13 28.30 2k19 s GLU 12 CO 0.49 -3.62 1.21 0.00 0.95 0.00 0.00 175.26 174.29 2k19 h ARG 13 N 9.44 0.34 -0.17 -4.83 2.47 -1.97 -2.57 114.38 117.09 2k19 h ARG 13 Ca 0.25 -0.47 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 2k19 h ARG 13 Cb 0.93 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 2k19 h ARG 13 CO 1.27 1.17 0.03 0.77 0.56 0.00 0.00 179.97 183.78 2k19 h SER 14 N 0.15 0.26 1.09 7.04 0.02 -1.98 -2.71 113.55 117.41 2k19 h SER 14 Ca -0.11 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2k19 h SER 14 Cb 1.80 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.27 2k19 h SER 14 CO 0.19 0.44 -0.09 -1.13 -1.14 0.00 0.00 176.83 175.09 2k19 h ASN 15 N 0.07 0.00 0.81 3.07 -1.24 -1.96 -3.25 115.58 113.08 2k19 h ASN 15 Ca 0.05 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 2k19 h ASN 15 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2k19 h ASN 15 CO 0.00 0.09 -0.42 -0.61 -1.29 0.00 0.00 177.43 175.20 2k19 h GLN 16 N 0.00 -1.09 -0.75 6.67 5.75 -1.13 -2.44 115.11 122.13 2k19 h GLN 16 Ca -0.00 0.07 0.14 0.00 -0.15 0.00 0.00 58.65 58.71 2k19 h GLN 16 Cb 0.66 0.25 -0.09 0.00 1.07 0.00 0.00 27.48 29.36 2k19 h GLN 16 CO 0.01 -0.73 0.30 0.00 -2.65 0.00 0.00 178.83 175.77 2k19 h ALA 17 N -0.96 1.05 -0.45 3.38 0.00 -1.58 -0.70 119.26 120.00 2k19 h ALA 17 Ca -0.11 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2k19 h ALA 17 Cb 0.88 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2k19 h ALA 17 CO 0.16 -0.20 -0.01 1.49 0.00 0.00 0.00 179.25 180.70 2k19 h GLU 18 N 0.45 0.10 -0.62 0.00 4.81 -1.58 0.44 114.58 118.19 2k19 h GLU 18 Ca 0.41 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.54 2k19 h GLU 18 Cb 0.60 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2k19 h GLU 18 CO -0.39 0.07 0.03 -0.91 -0.73 0.00 0.00 179.01 177.08 2k19 h ASN 19 N 0.11 1.03 0.57 1.04 2.35 -0.76 -2.78 115.58 117.14 2k19 h ASN 19 Ca 0.22 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2k19 h ASN 19 Cb 0.33 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2k19 h ASN 19 CO -0.38 1.06 -0.30 0.40 -1.65 0.00 0.00 177.43 176.57 2k19 h ILE 20 N 0.98 0.39 -0.81 2.81 2.04 -0.08 -2.56 117.51 120.27 2k19 h ILE 20 Ca 0.18 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.20 2k19 h ILE 20 Cb 0.52 0.39 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 2k19 h ILE 20 CO 0.02 0.00 0.35 0.40 0.00 0.00 0.00 178.15 178.93 2k19 h ILE 21 N -0.80 0.63 -0.10 -0.67 2.04 -0.95 0.29 117.51 117.96 2k19 h ILE 21 Ca -0.07 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2k19 h ILE 21 Cb 0.63 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2k19 h ILE 21 CO 0.11 0.09 0.07 0.74 0.00 0.00 0.00 178.15 179.16 2k19 h THR 22 N 0.48 0.92 0.16 -0.27 2.02 -1.23 -2.73 112.91 112.26 2k19 h THR 22 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 2k19 h THR 22 Cb 0.73 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2k19 h THR 22 CO -0.43 0.00 -0.08 -0.78 0.37 0.00 0.00 175.52 174.61 2k19 h ASP 23 N 0.00 -0.19 -1.07 4.18 1.82 -0.02 -2.52 116.42 118.62 2k19 h ASP 23 Ca 0.05 0.01 0.29 0.00 -0.39 0.00 0.00 57.03 56.98 2k19 h ASP 23 Cb 0.19 0.05 -0.08 0.00 0.68 0.00 0.00 39.33 40.17 2k19 h ASP 23 CO -0.00 -0.13 0.71 -0.07 -1.61 0.00 0.00 179.24 178.14 2k19 h LEU 24 N -0.22 0.32 0.03 2.28 3.38 -1.51 -0.14 115.31 119.45 2k19 h LEU 24 Ca -0.02 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2k19 h LEU 24 Cb 0.17 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2k19 h LEU 24 CO 0.03 0.05 -0.18 -0.07 0.09 0.00 0.00 178.44 178.36 2k19 h LEU 25 N 0.28 -0.52 -0.68 1.67 -0.00 -1.27 0.22 115.31 115.00 2k19 h LEU 25 Ca 0.59 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.52 2k19 h LEU 25 Cb 1.72 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 42.56 2k19 h LEU 25 CO -0.22 -0.25 0.34 -0.78 -0.00 0.00 0.00 178.44 177.53 2k19 h ASP 26 N -0.31 0.88 -0.21 -0.43 1.82 -0.61 0.03 116.42 117.59 2k19 h ASP 26 Ca 0.05 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2k19 h ASP 26 Cb 0.37 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 2k19 h ASP 26 CO -0.15 0.75 0.13 0.44 -1.61 0.00 0.00 179.24 178.80 2k19 h ASP 27 N 0.95 0.25 0.73 2.28 5.19 -0.97 -2.21 116.42 122.64 2k19 h ASP 27 Ca 0.24 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 2k19 h ASP 27 Cb 0.09 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2k19 h ASP 27 CO -0.03 0.22 -0.19 -0.07 -3.12 0.00 0.00 179.24 176.04 2k19 h LEU 28 N 0.26 0.00 -0.61 1.55 3.38 -0.37 -3.15 115.31 116.36 2k19 h LEU 28 Ca 0.08 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.17 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 0.19 -0.12 0.50 0.09 0.00 0.00 178.44 179.08 2k19 h LYS 29 N 0.00 0.02 -2.74 1.13 3.64 -0.32 -2.32 116.57 115.98 2k19 h LYS 29 Ca -0.00 -0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.61 2k19 h LYS 29 Cb 0.60 -0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.24 2k19 h LYS 29 CO 0.02 0.01 1.88 0.25 -2.27 0.00 0.00 179.45 179.35 2k19 n THR 30 N -5.39 5.27 -3.49 1.00 -2.24 -1.19 -4.90 114.28 103.34 2k19 n THR 30 Ca 0.07 -4.86 -0.09 0.00 -2.27 0.00 0.00 64.05 56.90 2k19 n THR 30 Cb 0.33 -2.02 -0.02 0.00 -2.10 0.00 0.00 70.33 66.52 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 -0.13 -0.41 0.00 3.42 2.15 -0.87 -5.04 116.67 115.79 2k19 s ASP 31 Ca 0.46 0.04 0.21 0.00 0.43 0.00 0.00 52.55 53.69 2k19 s ASP 31 Cb 0.15 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2k19 s ASP 31 CO -0.06 -0.67 1.04 -0.11 -0.17 0.00 0.00 175.17 175.20 2k19 n LEU 32 N -0.20 1.95 -4.89 -1.34 7.94 -1.26 -4.97 117.00 114.23 2k19 n LEU 32 Ca -0.11 -0.76 -0.30 0.00 -1.11 0.00 0.00 56.01 53.74 2k19 n LEU 32 Cb 0.62 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.62 2k19 n LEU 32 CO 0.11 0.37 0.74 -1.81 -1.11 0.00 0.00 177.39 175.69 2k19 s ASP 33 N -2.38 5.32 -0.61 1.96 1.01 -1.26 -4.56 116.67 116.15 2k19 s ASP 33 Ca 0.17 1.04 -0.09 0.00 0.71 0.00 0.00 52.55 54.39 2k19 s ASP 33 Cb 0.17 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 42.30 2k19 s ASP 33 CO 0.55 -1.40 0.65 0.59 0.21 0.00 0.00 175.17 175.77 2k19 n ASN 34 N -3.02 -7.51 -4.64 0.27 5.03 -1.26 -4.93 115.26 99.20 2k19 n ASN 34 Ca 0.07 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.19 2k19 n ASN 34 Cb 0.58 -4.86 -0.04 0.00 -1.02 0.00 0.00 39.78 34.43 2k19 n ASN 34 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2k19 s GLU 35 N -2.96 4.17 0.00 3.52 2.12 -1.26 -3.51 118.70 120.77 2k19 s GLU 35 Ca 0.12 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.39 2k19 s GLU 35 Cb -0.03 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2k19 s GLU 35 CO 0.78 -0.54 0.00 0.43 -0.54 0.00 0.00 175.26 175.38 2k19 n SER 36 N 6.05 -1.06 -0.08 -1.70 7.64 -1.26 -4.85 113.62 118.38 2k19 n SER 36 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 2k19 n SER 36 Cb 0.47 -1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 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 0.63 -1.99 -3.43 7.12 -1.94 -2.99 115.31 112.71 2k19 h LEU 37 Ca 0.00 -0.49 0.23 0.00 0.13 0.00 0.00 57.88 57.75 2k19 h LEU 37 Cb 0.11 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 2k19 h LEU 37 CO 0.00 0.99 0.59 0.11 -0.13 0.00 0.00 178.44 180.00 2k19 h LYS 38 N 0.28 0.00 -0.92 1.25 6.56 -1.89 0.73 116.57 122.58 2k19 h LYS 38 Ca 0.03 0.00 0.19 0.00 -1.06 0.00 0.00 60.65 59.82 2k19 h LYS 38 Cb 0.82 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.41 2k19 h LYS 38 CO 0.06 0.00 0.60 1.57 -2.06 0.00 0.00 179.45 179.62 2k19 h LYS 39 N 0.00 0.50 0.08 3.15 2.10 -1.92 0.26 116.57 120.74 2k19 h LYS 39 Ca 0.37 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2k19 h LYS 39 Cb 1.55 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 2k19 h LYS 39 CO -0.00 0.33 -0.04 0.28 -2.00 0.00 0.00 179.45 178.02 2k19 h VAL 40 N 0.51 1.18 0.32 0.07 2.07 -1.02 -1.19 116.25 118.19 2k19 h VAL 40 Ca 0.49 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2k19 h VAL 40 Cb 1.07 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2k19 h VAL 40 CO -0.22 0.25 -0.15 -0.07 0.02 0.00 0.00 177.57 177.40 2k19 h LEU 41 N -0.58 -0.36 0.27 2.57 3.38 -1.38 -1.06 115.31 118.15 2k19 h LEU 41 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k19 h LEU 41 Cb 0.49 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k19 h LEU 41 CO 0.02 -0.21 -0.32 -0.33 0.09 0.00 0.00 178.44 177.69 2k19 h GLU 42 N -0.48 -0.61 0.05 1.13 5.08 -0.61 0.36 114.58 119.50 2k19 h GLU 42 Ca -0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k19 h GLU 42 Cb 0.36 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2k19 h GLU 42 CO 0.07 -0.41 -0.21 -0.91 -1.00 0.00 0.00 179.01 176.56 2k19 h ASN 43 N -0.63 -0.62 -0.91 1.42 4.21 -1.19 -0.09 115.58 117.77 2k19 h ASN 43 Ca -0.00 0.06 0.17 0.00 1.21 0.00 0.00 56.30 57.74 2k19 h ASN 43 Cb 0.60 0.23 -0.10 0.00 -1.12 0.00 0.00 38.32 37.92 2k19 h ASN 43 CO -0.09 -0.22 0.49 1.88 -1.29 0.00 0.00 177.43 178.19 2k19 h TYR 44 N -0.30 0.85 -0.91 1.19 0.05 -1.17 0.38 116.97 117.06 2k19 h TYR 44 Ca -0.00 0.04 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2k19 h TYR 44 Cb 0.30 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 37.73 2k19 h TYR 44 CO -0.35 0.17 0.56 1.25 -1.05 0.00 0.00 178.16 178.75 2k19 h LEU 45 N 0.64 0.86 -1.87 3.88 5.85 0.36 -0.31 115.31 124.72 2k19 h LEU 45 Ca 0.51 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 2k19 h LEU 45 Cb 0.78 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2k19 h LEU 45 CO -0.39 0.52 0.07 -0.08 -0.34 0.00 0.00 178.44 178.22 2k19 h GLU 46 N 0.98 0.16 -0.52 1.25 4.22 0.97 -1.58 114.58 120.05 2k19 h GLU 46 Ca 0.41 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.86 2k19 h GLU 46 Cb 0.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2k19 h GLU 46 CO -0.21 0.11 0.34 0.93 -2.18 0.00 0.00 179.01 178.01 2k19 h GLU 47 N 0.16 0.65 -0.13 1.92 4.39 -0.88 -1.24 114.58 119.46 2k19 h GLU 47 Ca 0.04 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2k19 h GLU 47 Cb -0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2k19 h GLU 47 CO -0.01 0.43 0.09 -0.07 -1.16 0.00 0.00 179.01 178.29 2k19 h LEU 48 N 0.67 0.11 -0.45 1.33 3.38 -1.29 -0.91 115.31 118.15 2k19 h LEU 48 Ca 0.20 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2k19 h LEU 48 Cb -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k19 h LEU 48 CO -0.05 0.08 -0.73 0.11 0.09 0.00 0.00 178.44 177.94 2k19 h LYS 49 N 0.13 0.00 -7.19 1.13 6.56 -1.32 -3.45 116.57 112.43 2k19 h LYS 49 Ca 0.05 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.17 2k19 h LYS 49 Cb 0.05 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.75 2k19 h LYS 49 CO -0.01 0.73 0.38 -0.65 -2.06 0.00 0.00 179.45 177.84 2k19 s GLN 50 N -3.23 3.73 -0.02 3.15 -1.52 -0.35 -4.96 119.66 116.45 2k19 s GLN 50 Ca -0.00 1.06 0.18 0.00 -1.95 0.00 0.00 55.36 54.64 2k19 s GLN 50 Cb 0.11 -2.10 0.56 0.00 -0.22 0.00 0.00 33.01 31.36 2k19 s GLN 50 CO 0.78 -0.46 1.46 0.36 -0.25 0.00 0.00 175.29 177.17 2k19 n LYS 51 N -1.70 2.64 0.00 2.91 2.85 -1.26 -4.53 118.16 119.06 2k19 n LYS 51 Ca 0.07 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.09 2k19 n LYS 51 Cb 0.54 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 1.19 0.00 -4.75 -5.58 2.88 -1.26 -4.91 113.62 101.19 2k19 n SER 52 Ca 0.21 0.19 -0.41 0.00 -1.33 0.00 0.00 58.87 57.53 2k19 n SER 52 Cb 0.58 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 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 -3.61 3.41 0.65 -1.46 0.00 -1.26 -5.02 121.76 114.46 2k19 s ALA 53 Ca 0.00 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 2k19 s ALA 53 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2k19 s ALA 53 CO 0.00 -0.22 1.05 -1.12 0.00 0.00 0.00 175.76 175.47 2k19 s SER 54 N -0.54 5.61 0.12 0.00 0.01 -1.26 -4.81 113.70 112.82 2k19 s SER 54 Ca 0.47 1.66 -0.31 0.00 1.31 0.00 0.00 55.95 59.08 2k19 s SER 54 Cb -0.32 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.31 2k19 s SER 54 CO 0.40 -1.29 1.58 0.58 0.41 0.00 0.00 173.24 174.92 2k19 h VAL 55 N -0.29 0.14 0.00 3.43 2.07 -1.94 -0.60 116.25 119.07 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 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2k19 h VAL 55 CO 0.57 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 177.35 2k19 n PRO 56 N -5.46 0.10 0.12 1.57 -0.04 -1.26 -2.26 135.00 127.78 2k19 n PRO 56 Ca -0.07 0.35 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 2k19 n PRO 56 Cb 0.38 -1.70 -0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.00 0.08 1.53 3.38 -1.49 -3.14 115.31 115.67 2k19 h LEU 57 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2k19 h LEU 57 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2k19 h LEU 57 CO 0.00 0.58 -2.16 -0.38 0.09 0.00 0.00 178.44 176.58 2k19 n ILE 58 N -3.24 1.68 -0.20 1.22 5.41 -0.83 -3.97 119.36 119.44 2k19 n ILE 58 Ca 0.01 -0.61 0.05 0.00 1.00 0.00 0.00 62.75 63.20 2k19 n ILE 58 Cb 0.77 -1.64 0.32 0.00 -0.71 0.00 0.00 39.64 38.39 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 0.02 0.73 0.04 1.39 3.38 -1.58 0.26 115.31 119.55 2k19 h LEU 59 Ca -0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k19 h LEU 59 Cb 1.97 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2k19 h LEU 59 CO 0.02 0.48 -0.02 -1.28 0.09 0.00 0.00 178.44 177.74 2k19 h SER 60 N 0.84 -0.04 -0.32 -0.43 0.87 -1.72 -2.72 113.55 110.03 2k19 h SER 60 Ca 0.31 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 2k19 h SER 60 Cb 0.16 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2k19 h SER 60 CO -0.10 0.19 -0.19 0.03 -0.53 0.00 0.00 176.83 176.23 2k19 h ARG 61 N -0.27 0.79 0.20 2.24 -0.00 -1.58 -2.88 114.38 112.88 2k19 h ARG 61 Ca -0.01 -0.30 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 2k19 h ARG 61 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.14 2k19 h ARG 61 CO 0.01 0.92 -0.46 1.98 0.00 0.00 0.00 179.97 182.41 2k19 h MET 62 N 0.69 -0.70 -0.91 0.04 4.05 -0.41 -0.22 114.93 117.48 2k19 h MET 62 Ca 0.10 0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.69 2k19 h MET 62 Cb 0.70 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 31.57 2k19 h MET 62 CO 0.05 -0.46 0.54 -0.91 0.23 0.00 0.00 176.91 176.36 2k19 h ASN 63 N -0.72 0.76 0.36 1.39 2.35 -1.51 0.40 115.58 118.60 2k19 h ASN 63 Ca -0.02 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2k19 h ASN 63 Cb 0.69 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 2k19 h ASN 63 CO -0.20 0.39 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.90 2k19 h LEU 64 N 0.84 0.00 0.05 1.61 3.38 -1.15 -0.26 115.31 119.78 2k19 h LEU 64 Ca 0.46 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.06 2k19 h LEU 64 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2k19 h LEU 64 CO -0.28 0.01 -2.17 -0.67 0.09 0.00 0.00 178.44 175.42 2k19 n ASP 65 N -3.12 2.02 0.33 -0.43 -0.08 0.97 -3.82 116.55 112.41 2k19 n ASP 65 Ca -0.02 0.12 -0.14 0.00 -1.51 0.00 0.00 54.79 53.25 2k19 n ASP 65 Cb 0.16 -0.70 -0.06 0.00 2.34 0.00 0.00 41.12 42.85 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 -0.23 0.00 -0.47 5.18 2.04 -0.18 0.41 117.51 124.26 2k19 h ILE 66 Ca -0.51 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.14 2k19 h ILE 66 Cb 1.84 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.83 2k19 h ILE 66 CO -0.09 0.00 -0.15 -1.28 0.00 0.00 0.00 178.15 176.63 2k19 h SER 67 N -1.19 -0.55 0.02 1.72 0.87 -1.28 0.14 113.55 113.28 2k19 h SER 67 Ca -0.09 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2k19 h SER 67 Cb 0.68 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2k19 h SER 67 CO 0.15 -0.19 -0.11 0.07 -0.53 0.00 0.00 176.83 176.21 2k19 h LYS 68 N -0.05 0.22 0.00 2.24 2.10 -1.66 -1.60 116.57 117.82 2k19 h LYS 68 Ca 0.23 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.82 2k19 h LYS 68 Cb 0.39 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2k19 h LYS 68 CO -0.51 0.34 -0.02 0.00 -2.00 0.00 0.00 179.45 177.26 2k19 h ALA 69 N 1.68 1.03 0.10 0.07 0.00 0.15 -2.63 119.26 119.66 2k19 h ALA 69 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k19 h ALA 69 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k19 h ALA 69 CO 0.02 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 180.07 2k19 h ILE 70 N 0.00 0.00 0.14 0.00 2.04 -0.38 -1.28 117.51 118.03 2k19 h ILE 70 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2k19 h ILE 70 Cb 0.39 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2k19 h ILE 70 CO 0.00 0.00 -0.12 -0.09 0.00 0.00 0.00 178.15 177.94 2k19 h ARG 71 N -0.15 -0.27 0.00 2.37 2.43 -1.67 0.39 114.38 117.48 2k19 h ARG 71 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2k19 h ARG 71 Cb 0.10 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2k19 h ARG 71 CO 0.02 -0.18 0.00 0.09 -1.51 0.00 0.00 179.97 178.39 2k19 n ASN 72 N -5.24 0.00 0.15 -3.80 3.02 -0.99 -3.55 115.26 104.84 2k19 n ASN 72 Ca -0.08 0.64 -0.17 0.00 -0.03 0.00 0.00 54.58 54.95 2k19 n ASN 72 Cb 0.16 -0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 2k19 n ASN 72 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2k19 h ASP 73 N 0.00 -1.54 0.00 6.41 3.32 -1.31 -3.47 116.42 119.82 2k19 h ASP 73 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2k19 h ASP 73 Cb 0.00 0.56 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2k19 h ASP 73 CO 0.00 -0.58 0.00 0.61 -1.72 0.00 0.00 179.24 177.55 2k19 n GLY 74 N -1.50 1.87 1.34 2.75 0.00 0.13 -5.06 105.19 104.72 2k19 n GLY 74 Ca -0.09 0.00 -0.09 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 -0.11 0.00 -3.71 1.61 0.24 -1.05 -5.01 118.33 110.29 2k19 n VAL 75 Ca 0.00 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 2k19 n VAL 75 Cb 0.00 -1.50 -0.12 0.00 -1.47 0.00 0.00 33.84 30.76 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 -1.41 -0.03 0.00 3.34 2.01 -1.26 -4.83 115.64 113.45 2k19 s THR 76 Ca 0.24 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2k19 s THR 76 Cb -0.01 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.99 2k19 s THR 76 CO 0.17 0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.32 2k19 n LEU 77 N 4.19 0.00 0.00 4.42 4.32 -1.26 -4.92 117.00 123.75 2k19 n LEU 77 Ca -0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.67 2k19 n LEU 77 Cb 0.54 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.37 2k19 n LEU 77 CO 0.11 -0.04 0.47 -1.54 -1.22 0.00 0.00 177.39 175.17 2k19 n SER 78 N -0.14 -2.05 0.00 -1.43 3.41 -1.26 -4.97 113.62 107.18 2k19 n SER 78 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2k19 n SER 78 Cb 0.00 3.43 0.00 0.00 -0.26 0.00 0.00 64.21 67.38 2k19 n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k19 n ASP 79 N -1.50 0.00 -0.27 4.04 9.92 -1.26 0.00 116.55 127.48 2k19 n ASP 79 Ca -0.08 0.80 0.15 0.00 -0.53 0.00 0.00 54.79 55.13 2k19 n ASP 79 Cb 0.54 -0.30 0.42 0.00 -0.64 0.00 0.00 41.12 41.14 2k19 n ASP 79 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2k19 h TYR 80 N 0.00 0.76 0.00 1.24 -0.00 -1.98 -0.03 116.97 116.95 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 -0.23 0.00 0.00 -0.00 0.00 0.00 36.73 36.50 2k19 h TYR 80 CO -0.16 0.23 0.00 1.04 -0.00 0.00 0.00 178.16 179.27 2k19 n GLN 81 N -4.58 0.00 -0.28 0.10 1.13 -0.99 -0.01 117.38 112.75 2k19 n GLN 81 Ca 0.19 0.35 0.25 0.00 -1.94 0.00 0.00 57.00 55.85 2k19 n GLN 81 Cb 0.57 -1.33 0.58 0.00 0.11 0.00 0.00 30.24 30.17 2k19 n GLN 81 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2k19 h SER 82 N 0.00 0.30 -0.04 1.08 0.02 -0.28 0.13 113.55 114.75 2k19 h SER 82 Ca 0.00 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2k19 h SER 82 Cb 0.00 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2k19 h SER 82 CO 0.00 0.08 0.00 0.11 -1.14 0.00 0.00 176.83 175.88 2k19 h LYS 83 N 0.28 0.07 0.00 3.45 1.79 -0.87 -2.67 116.57 118.62 2k19 h LYS 83 Ca 0.53 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2k19 h LYS 83 Cb 1.56 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2k19 h LYS 83 CO -0.18 0.35 -0.00 1.57 -1.08 0.00 0.00 179.45 180.12 2k19 h LYS 84 N -0.22 0.00 -0.29 3.15 5.09 0.15 -1.93 116.57 122.51 2k19 h LYS 84 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.62 2k19 h LYS 84 Cb 0.32 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.64 2k19 h LYS 84 CO 0.00 0.00 -0.34 1.25 -2.09 0.00 0.00 179.45 178.27 2k19 h LEU 85 N 0.00 0.67 0.00 7.07 6.46 -0.96 -2.42 115.31 126.14 2k19 h LEU 85 Ca -0.00 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2k19 h LEU 85 Cb 0.14 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2k19 h LEU 85 CO 0.00 0.96 0.00 2.29 -0.62 0.00 0.00 178.44 181.07 2k19 n LYS 86 N -4.06 0.09 0.00 1.25 -0.00 -0.73 -3.02 118.16 111.69 2k19 n LYS 86 Ca -0.01 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2k19 n LYS 86 Cb 0.49 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 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 1.02 -0.91 -3.26 120.64 114.49 2k19 n GLU 87 Ca 0.06 0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.31 2k19 n GLU 87 Cb 0.18 -0.94 0.13 0.00 -0.02 0.00 0.00 31.44 30.79 2k19 n GLU 87 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2k19 n LEU 88 N -0.77 0.00 -0.09 -4.62 -0.00 -1.25 -2.43 117.00 107.84 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 -0.04 0.00 -0.00 0.00 0.00 43.42 42.95 2k19 n LEU 88 CO 0.00 -0.35 0.78 0.74 -0.00 0.00 0.00 177.39 178.56 2k19 h THR 89 N 0.00 1.24 0.00 1.47 2.02 -1.55 -2.17 112.91 113.93 2k19 h THR 89 Ca 0.00 -0.85 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2k19 h THR 89 Cb 0.09 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2k19 h THR 89 CO 0.00 0.27 -0.53 0.28 0.37 0.00 0.00 175.52 175.91 2k19 h SER 90 N 0.25 0.00 0.27 4.18 0.02 -1.46 -3.15 113.55 113.67 2k19 h SER 90 Ca 0.08 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2k19 h SER 90 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2k19 h SER 90 CO 0.01 0.53 -0.43 0.40 -1.14 0.00 0.00 176.83 176.20 2k19 h ILE 91 N 0.00 1.32 -1.74 3.27 2.04 -1.54 -3.40 117.51 117.46 2k19 h ILE 91 Ca -0.01 -1.57 -0.47 0.00 1.00 0.00 0.00 64.86 63.82 2k19 h ILE 91 Cb 1.22 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2k19 h ILE 91 CO 0.07 0.47 1.20 -0.94 0.00 0.00 0.00 178.15 178.95 2k19 s SER 92 N -6.88 5.38 -1.26 1.72 1.04 -0.83 -4.89 113.70 107.97 2k19 s SER 92 Ca -0.04 -0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 2k19 s SER 92 Cb 0.13 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2k19 s SER 92 CO 0.77 -2.37 1.84 -0.46 0.98 0.00 0.00 173.24 174.00 2k19 n ASN 93 N 12.51 4.24 -3.39 7.02 6.94 -1.26 -4.84 115.26 136.49 2k19 n ASN 93 Ca 0.23 -2.84 -0.39 0.00 -0.02 0.00 0.00 54.58 51.55 2k19 n ASN 93 Cb 0.51 -1.71 -0.02 0.00 -2.36 0.00 0.00 39.78 36.19 2k19 n ASN 93 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2k19 n ILE 94 N 6.66 4.70 0.03 1.53 5.41 -1.26 -4.60 119.36 131.83 2k19 n ILE 94 Ca 0.48 -3.32 -0.04 0.00 1.00 0.00 0.00 62.75 60.87 2k19 n ILE 94 Cb 0.45 -2.39 -0.03 0.00 -0.71 0.00 0.00 39.64 36.96 2k19 n ILE 94 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2k19 h ARG 95 N 4.85 -0.19 0.00 0.38 2.47 -1.88 -3.47 114.38 116.54 2k19 h ARG 95 Ca 0.80 0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 59.23 2k19 h ARG 95 Cb 0.29 0.04 0.18 0.00 -1.65 0.00 0.00 29.97 28.83 2k19 h ARG 95 CO 1.66 -0.04 -0.15 0.66 0.56 0.00 0.00 179.97 182.67 2k19 n TYR 96 N -4.90 -3.40 0.01 3.04 4.01 -1.26 -4.79 117.16 109.87 2k19 n TYR 96 Ca -0.03 -0.60 0.22 0.00 -0.16 0.00 0.00 57.90 57.33 2k19 n TYR 96 Cb 0.12 -1.18 0.73 0.00 -0.31 0.00 0.00 39.34 38.70 2k19 n TYR 96 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2k19 h GLY 97 N -3.28 0.00 -0.18 2.72 0.00 -2.00 -3.54 103.07 96.78 2k19 h GLY 97 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k19 h GLY 97 CO 0.20 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.02