#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnb h GLN 18 N 0.00 0.00 0.00 1.96 4.20 -2.06 -3.41 115.11 115.79 2pnb h GLN 18 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pnb h GLN 18 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2pnb h GLN 18 CO 0.00 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.69 2pnb n ASP 19 N -2.97 0.00 -1.12 1.46 2.03 -1.26 -5.16 116.55 109.53 2pnb n ASP 19 Ca 0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 2pnb n ASP 19 Cb 0.44 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.80 2pnb n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnb n ALA 20 N -0.10 -3.21 -0.02 -1.67 0.00 -1.26 -4.70 120.51 109.55 2pnb n ALA 20 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.86 2pnb n ALA 20 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 2pnb n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pnb n GLU 21 N -3.49 0.21 -0.39 0.00 1.02 -1.26 -4.59 120.64 112.14 2pnb n GLU 21 Ca -0.02 0.08 0.30 0.00 -0.02 0.00 0.00 57.16 57.50 2pnb n GLU 21 Cb 0.62 -0.80 0.58 0.00 -0.02 0.00 0.00 31.44 31.82 2pnb n GLU 21 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2pnb h TRP 22 N -0.40 0.59 -3.26 -0.32 6.55 -1.89 -3.37 115.95 113.86 2pnb h TRP 22 Ca 0.00 0.02 -0.58 0.00 0.95 0.00 0.00 58.89 59.29 2pnb h TRP 22 Cb 0.40 -0.16 -0.06 0.00 -0.86 0.00 0.00 29.16 28.48 2pnb h TRP 22 CO -0.17 -0.10 -0.08 0.71 -1.05 0.00 0.00 178.44 177.75 2pnb s TYR 23 N -5.39 3.64 -0.06 0.49 2.02 -1.26 -4.13 117.35 112.66 2pnb s TYR 23 Ca -0.08 1.08 0.05 0.00 -0.37 0.00 0.00 57.07 57.74 2pnb s TYR 23 Cb 0.28 -2.54 -0.24 0.00 -0.40 0.00 0.00 41.96 39.06 2pnb s TYR 23 CO 0.81 0.35 0.61 -1.49 -1.57 0.00 0.00 175.55 174.26 2pnb h TRP 24 N 5.79 0.20 0.00 2.71 4.06 -1.85 -3.44 115.95 123.42 2pnb h TRP 24 Ca -0.45 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.35 2pnb h TRP 24 Cb 1.20 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2pnb h TRP 24 CO 0.65 1.28 0.00 0.41 -3.56 0.00 0.00 178.44 177.23 2pnb n GLY 25 N 1.70 0.02 1.42 1.49 0.00 -1.26 -5.06 105.19 103.50 2pnb n GLY 25 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2pnb n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnb n ASP 26 N 0.00 -6.09 0.00 1.61 5.68 -1.26 -4.99 116.55 111.50 2pnb n ASP 26 Ca 0.00 0.81 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 2pnb n ASP 26 Cb 0.00 -3.39 0.00 0.00 -1.14 0.00 0.00 41.12 36.59 2pnb n ASP 26 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2pnb n ILE 27 N 1.12 0.00 -4.06 2.12 -0.00 -1.26 -4.74 119.36 112.54 2pnb n ILE 27 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.62 2pnb n ILE 27 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 2pnb n ILE 27 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2pnb s SER 28 N 1.03 0.55 0.51 7.28 1.04 -1.26 -3.32 113.70 119.53 2pnb s SER 28 Ca 0.00 -1.32 0.17 0.00 0.48 0.00 0.00 55.95 55.29 2pnb s SER 28 Cb 0.00 0.63 1.26 0.00 0.10 0.00 0.00 66.02 68.01 2pnb s SER 28 CO 0.00 -1.25 2.11 0.03 0.98 0.00 0.00 173.24 175.11 2pnb h ARG 29 N 2.18 0.05 0.47 4.02 3.08 -1.97 -0.73 114.38 121.47 2pnb h ARG 29 Ca -0.28 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2pnb h ARG 29 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2pnb h ARG 29 CO 0.39 0.03 -0.30 0.93 -1.07 0.00 0.00 179.97 179.96 2pnb h GLU 30 N 0.05 -0.71 0.56 0.04 5.08 -1.98 0.96 114.58 118.59 2pnb h GLU 30 Ca 0.07 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2pnb h GLU 30 Cb 0.22 0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2pnb h GLU 30 CO -0.01 -0.47 -0.27 0.93 -1.00 0.00 0.00 179.01 178.19 2pnb h GLU 31 N -0.73 -0.73 -0.25 2.33 4.39 -1.84 -1.34 114.58 116.41 2pnb h GLU 31 Ca -0.05 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2pnb h GLU 31 Cb 0.60 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2pnb h GLU 31 CO 0.05 -0.49 -0.20 0.28 -1.16 0.00 0.00 179.01 177.49 2pnb h VAL 32 N -1.15 0.00 0.02 3.13 2.07 -1.20 -1.65 116.25 117.47 2pnb h VAL 32 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2pnb h VAL 32 Cb 0.58 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2pnb h VAL 32 CO 0.13 0.00 -0.22 -1.13 0.02 0.00 0.00 177.57 176.37 2pnb h ASN 33 N -0.06 -0.66 -1.26 0.57 -0.73 -0.91 0.16 115.58 112.69 2pnb h ASN 33 Ca 0.04 0.07 0.37 0.00 1.87 0.00 0.00 56.30 58.65 2pnb h ASN 33 Cb 0.17 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.95 2pnb h ASN 33 CO -0.27 -0.22 1.09 -0.62 -0.37 0.00 0.00 177.43 177.05 2pnb n GLU 34 N -3.68 0.01 -0.06 6.67 1.02 -0.50 0.23 120.64 124.32 2pnb n GLU 34 Ca -0.03 0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 57.82 2pnb n GLU 34 Cb 0.16 -2.06 -0.14 0.00 -0.02 0.00 0.00 31.44 29.38 2pnb n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2pnb n LYS 35 N -3.25 0.68 -0.06 3.49 0.00 -0.39 -4.11 118.16 114.53 2pnb n LYS 35 Ca 0.28 0.17 0.11 0.00 0.00 0.00 0.00 58.31 58.88 2pnb n LYS 35 Cb 1.47 -1.63 0.42 0.00 0.00 0.00 0.00 35.03 35.29 2pnb n LYS 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2pnb n LEU 36 N -3.14 1.49 0.06 3.14 4.32 0.63 -3.71 117.00 119.78 2pnb n LEU 36 Ca -0.32 -0.61 0.13 0.00 -0.02 0.00 0.00 56.01 55.19 2pnb n LEU 36 Cb 1.06 -0.08 0.50 0.00 -1.62 0.00 0.00 43.42 43.28 2pnb n LEU 36 CO 0.39 0.30 0.91 -2.11 -1.22 0.00 0.00 177.39 175.67 2pnb n ARG 37 N 0.20 0.14 -3.00 3.23 -4.01 0.29 -4.31 116.66 109.20 2pnb n ARG 37 Ca 0.16 0.13 -0.15 0.00 -1.04 0.00 0.00 57.85 56.96 2pnb n ARG 37 Cb 0.31 -1.67 -0.02 0.00 -3.04 0.00 0.00 32.46 28.03 2pnb n ARG 37 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2pnb n ASP 38 N -1.92 -1.92 -1.61 2.89 2.03 -1.24 -5.07 116.55 109.71 2pnb n ASP 38 Ca 0.06 -2.82 -0.05 0.00 0.52 0.00 0.00 54.79 52.50 2pnb n ASP 38 Cb 0.38 0.74 -0.01 0.00 -0.72 0.00 0.00 41.12 41.51 2pnb n ASP 38 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnb n THR 39 N 2.37 0.00 0.00 5.18 -2.24 -1.26 -5.05 114.28 113.27 2pnb n THR 39 Ca 0.20 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2pnb n THR 39 Cb 0.55 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2pnb n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnb n ALA 40 N -2.32 0.00 -2.65 6.98 0.00 -1.26 -4.86 120.51 116.40 2pnb n ALA 40 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.03 2pnb n ALA 40 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.63 2pnb n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pnb n ASP 41 N -1.96 6.68 0.00 0.00 2.03 -1.26 -4.62 116.55 117.42 2pnb n ASP 41 Ca 0.00 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.61 2pnb n ASP 41 Cb 0.00 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2pnb n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pnb n GLY 42 N -0.15 -1.32 4.00 0.27 0.00 -1.01 -4.52 105.19 102.46 2pnb n GLY 42 Ca 0.44 0.46 -0.18 0.00 0.00 0.00 0.00 46.02 46.74 2pnb n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pnb s THR 43 N 0.00 2.83 -0.29 2.61 2.01 -1.11 -4.09 115.64 117.59 2pnb s THR 43 Ca 0.00 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.81 2pnb s THR 43 Cb 0.00 -2.86 0.13 0.00 0.01 0.00 0.00 72.50 69.78 2pnb s THR 43 CO 0.00 0.00 0.89 0.72 -0.69 0.00 0.00 174.62 175.54 2pnb s PHE 44 N -2.41 -0.75 0.00 4.92 -0.71 -1.24 -1.75 117.98 116.04 2pnb s PHE 44 Ca 0.55 1.45 0.00 0.00 -1.04 0.00 0.00 56.93 57.89 2pnb s PHE 44 Cb -0.09 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 2pnb s PHE 44 CO 0.33 -0.37 0.00 1.47 -1.34 0.00 0.00 175.22 175.31 2pnb n LEU 45 N 4.13 0.00 -4.55 -1.99 -0.00 -0.83 -4.14 117.00 109.62 2pnb n LEU 45 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.57 2pnb n LEU 45 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.89 2pnb n LEU 45 CO -0.00 0.00 -0.43 -0.69 -0.00 0.00 0.00 177.39 176.27 2pnb s VAL 46 N -1.65 3.08 -0.11 1.47 1.01 -1.26 -2.61 120.40 120.33 2pnb s VAL 46 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.29 2pnb s VAL 46 Cb 0.00 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2pnb s VAL 46 CO 0.00 -0.11 -0.16 -0.60 0.00 0.00 0.00 175.10 174.23 2pnb s ARG 47 N -2.81 2.23 0.18 2.72 3.00 0.73 -4.39 118.95 120.61 2pnb s ARG 47 Ca 0.24 -0.57 -0.32 0.00 -1.00 0.00 0.00 55.73 54.09 2pnb s ARG 47 Cb -0.09 -1.88 -0.12 0.00 0.00 0.00 0.00 34.95 32.87 2pnb s ARG 47 CO 0.14 -0.04 1.76 -3.47 0.00 0.00 0.00 175.30 173.69 2pnb n ASP 48 N 4.13 4.01 -3.78 -2.12 2.03 -1.21 -0.59 116.55 119.03 2pnb n ASP 48 Ca -0.19 1.04 -0.39 0.00 0.52 0.00 0.00 54.79 55.76 2pnb n ASP 48 Cb 0.51 -1.57 -0.00 0.00 -0.72 0.00 0.00 41.12 39.34 2pnb n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnb n ALA 49 N 4.47 5.21 0.51 -1.67 0.00 -1.24 -4.80 120.51 122.98 2pnb n ALA 49 Ca 0.17 -4.76 -0.02 0.00 0.00 0.00 0.00 53.44 48.83 2pnb n ALA 49 Cb 0.36 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 17.85 2pnb n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pnb n SER 50 N 0.85 2.72 -2.14 0.00 3.41 -1.26 -4.08 113.62 113.12 2pnb n SER 50 Ca 0.31 -2.31 -0.29 0.00 -0.26 0.00 0.00 58.87 56.33 2pnb n SER 50 Cb 0.33 -0.57 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2pnb n SER 50 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2pnb n THR 51 N 0.13 3.16 -0.02 6.66 5.66 -1.26 -4.50 114.28 124.12 2pnb n THR 51 Ca 0.11 -3.33 0.00 0.00 -3.05 0.00 0.00 64.05 57.78 2pnb n THR 51 Cb 0.65 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 2pnb n THR 51 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2pnb n LYS 52 N -0.87 0.00 -1.12 1.09 4.81 -1.26 -4.97 118.16 115.84 2pnb n LYS 52 Ca 0.54 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.90 2pnb n LYS 52 Cb 0.84 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.85 2pnb n LYS 52 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2pnb n MET 53 N 0.00 -1.40 0.00 1.64 2.81 -1.26 -4.47 117.12 114.45 2pnb n MET 53 Ca 0.00 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 2pnb n MET 53 Cb 0.00 -4.55 0.00 0.00 -0.71 0.00 0.00 33.22 27.96 2pnb n MET 53 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2pnb n HIS 54 N -1.52 0.00 -3.30 2.03 -0.00 -1.26 -5.10 115.22 106.08 2pnb n HIS 54 Ca -0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.45 2pnb n HIS 54 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.30 2pnb n HIS 54 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2pnb s GLY 55 N -0.15 2.04 0.00 1.57 0.00 -1.26 -4.82 107.32 104.69 2pnb s GLY 55 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2pnb s GLY 55 CO 0.00 -1.61 0.00 1.22 0.00 0.00 0.00 173.10 172.71 2pnb n ASP 56 N -1.73 0.00 0.00 1.64 9.92 -1.26 -4.92 116.55 120.20 2pnb n ASP 56 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2pnb n ASP 56 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 2pnb n ASP 56 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2pnb n TYR 57 N 0.00 0.00 -3.67 1.24 4.01 -1.26 -3.62 117.16 113.86 2pnb n TYR 57 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2pnb n TYR 57 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2pnb n TYR 57 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2pnb s THR 58 N 0.70 -0.46 0.12 -0.72 2.01 0.24 -3.44 115.64 114.09 2pnb s THR 58 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2pnb s THR 58 Cb 0.00 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.87 2pnb s THR 58 CO 0.00 0.08 1.13 -0.76 -0.69 0.00 0.00 174.62 174.38 2pnb s LEU 59 N 2.31 4.43 -0.04 4.42 1.02 0.17 -0.19 118.68 130.81 2pnb s LEU 59 Ca -0.02 2.03 0.02 0.00 0.02 0.00 0.00 54.13 56.18 2pnb s LEU 59 Cb -0.11 -3.59 0.01 0.00 0.02 0.00 0.00 46.19 42.51 2pnb s LEU 59 CO -0.11 -0.33 -0.08 -0.89 0.02 0.00 0.00 176.35 174.96 2pnb s THR 60 N 0.38 0.73 0.07 5.49 2.01 -1.07 0.12 115.64 123.35 2pnb s THR 60 Ca 0.53 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.29 2pnb s THR 60 Cb -0.29 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2pnb s THR 60 CO 0.32 0.24 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.88 2pnb s LEU 61 N 0.46 2.27 -0.35 4.42 2.34 -0.54 -1.96 118.68 125.33 2pnb s LEU 61 Ca -0.07 -0.61 -0.21 0.00 0.06 0.00 0.00 54.13 53.30 2pnb s LEU 61 Cb -0.11 -0.51 0.00 0.00 -0.56 0.00 0.00 46.19 45.01 2pnb s LEU 61 CO 0.01 -0.07 0.66 -0.60 -1.06 0.00 0.00 176.35 175.28 2pnb s ARG 62 N -1.72 3.71 -0.46 1.48 6.06 -0.71 0.29 118.95 127.60 2pnb s ARG 62 Ca -0.02 0.12 -0.02 0.00 -2.50 0.00 0.00 55.73 53.30 2pnb s ARG 62 Cb -0.10 -3.80 0.18 0.00 0.06 0.00 0.00 34.95 31.29 2pnb s ARG 62 CO 0.02 -0.73 2.36 1.17 -2.50 0.00 0.00 175.30 175.62 2pnb n LYS 63 N 6.07 2.24 0.00 5.12 4.81 -0.93 -2.41 118.16 133.06 2pnb n LYS 63 Ca -0.01 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.18 2pnb n LYS 63 Cb 0.49 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.56 2pnb n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pnb n GLY 64 N 0.37 2.13 0.00 3.14 0.00 -1.26 -4.16 105.19 105.41 2pnb n GLY 64 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2pnb n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnb n GLY 65 N -2.00 0.06 3.33 -0.02 0.00 -1.26 -4.97 105.19 100.33 2pnb n GLY 65 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2pnb n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pnb s ASN 66 N 0.00 5.90 -0.24 1.61 3.04 -1.26 -5.03 114.94 118.96 2pnb s ASN 66 Ca 0.00 -1.39 -0.28 0.00 0.04 0.00 0.00 52.86 51.23 2pnb s ASN 66 Cb 0.00 -2.09 -0.04 0.00 -1.54 0.00 0.00 41.25 37.58 2pnb s ASN 66 CO 0.00 -0.58 2.06 0.54 -3.04 0.00 0.00 177.10 176.07 2pnb s ASN 67 N 2.32 5.66 -0.23 -4.21 2.20 -1.26 -2.20 114.94 117.23 2pnb s ASN 67 Ca 0.03 1.73 -0.21 0.00 -0.94 0.00 0.00 52.86 53.47 2pnb s ASN 67 Cb -0.23 -2.52 -0.02 0.00 -2.00 0.00 0.00 41.25 36.48 2pnb s ASN 67 CO 0.05 -1.82 0.66 -0.75 -2.94 0.00 0.00 177.10 172.29 2pnb s LYS 68 N 6.00 4.16 0.08 3.55 2.20 0.14 -4.88 119.74 130.99 2pnb s LYS 68 Ca 0.93 0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 56.98 2pnb s LYS 68 Cb -0.30 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 2pnb s LYS 68 CO 0.35 -0.36 0.55 -1.17 -0.36 0.00 0.00 175.35 174.36 2pnb s LEU 69 N 2.32 4.50 -0.03 5.43 2.96 -1.26 -1.46 118.68 131.13 2pnb s LEU 69 Ca 0.28 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.42 2pnb s LEU 69 Cb -0.16 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.64 2pnb s LEU 69 CO 0.09 0.26 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.73 2pnb s ILE 70 N -1.15 0.28 0.34 6.68 1.01 0.31 -4.98 121.20 123.68 2pnb s ILE 70 Ca 0.30 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 2pnb s ILE 70 Cb -0.19 -0.34 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 2pnb s ILE 70 CO 0.18 0.16 0.75 -0.54 0.00 0.00 0.00 174.94 175.50 2pnb s LYS 71 N 0.89 4.00 -0.19 2.79 1.02 -1.26 0.46 119.74 127.44 2pnb s LYS 71 Ca -0.10 0.68 -0.08 0.00 0.02 0.00 0.00 55.97 56.49 2pnb s LYS 71 Cb -0.13 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2pnb s LYS 71 CO -0.01 0.13 0.08 0.42 -0.92 0.00 0.00 175.35 175.05 2pnb s ILE 72 N -2.03 4.90 -0.66 2.17 -1.09 -1.22 -4.77 121.20 118.51 2pnb s ILE 72 Ca 0.54 0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.79 2pnb s ILE 72 Cb -0.10 -3.23 0.12 0.00 -1.58 0.00 0.00 42.46 37.68 2pnb s ILE 72 CO 0.18 0.44 0.75 -0.36 -1.23 0.00 0.00 174.94 174.72 2pnb s PHE 73 N 0.49 3.12 0.38 3.97 0.08 -1.10 -4.66 117.98 120.27 2pnb s PHE 73 Ca 0.04 -1.16 0.08 0.00 0.12 0.00 0.00 56.93 56.01 2pnb s PHE 73 Cb -0.12 -4.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.28 2pnb s PHE 73 CO 0.00 -1.27 0.27 -1.58 -0.10 0.00 0.00 175.22 172.55 2pnb s HIS 74 N 2.31 2.72 0.05 0.36 5.65 -1.26 0.13 115.29 125.24 2pnb s HIS 74 Ca 0.14 -0.46 0.00 0.00 0.25 0.00 0.00 55.06 55.00 2pnb s HIS 74 Cb -0.21 -1.94 0.00 0.00 -1.18 0.00 0.00 32.58 29.25 2pnb s HIS 74 CO 0.02 0.10 0.00 -2.13 -0.65 0.00 0.00 174.74 172.08 2pnb n ARG 75 N -1.36 0.00 0.00 2.88 0.63 -1.26 -4.94 116.66 112.61 2pnb n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2pnb n ARG 75 Cb 0.62 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.49 2pnb n ARG 75 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2pnb n ASP 76 N -2.71 4.88 0.00 6.15 8.00 -1.26 -4.94 116.55 126.66 2pnb n ASP 76 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2pnb n ASP 76 Cb 0.00 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2pnb n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pnb n GLY 77 N 2.60 0.00 0.00 0.44 0.00 -1.26 -5.15 105.19 101.82 2pnb n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pnb n GLY 77 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pnb n LYS 78 N 0.00 1.42 -3.98 1.61 2.85 -1.26 -4.91 118.16 113.89 2pnb n LYS 78 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2pnb n LYS 78 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 2pnb n LYS 78 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2pnb s TYR 79 N 0.62 0.26 -0.15 5.58 2.02 -1.26 -4.27 117.35 120.15 2pnb s TYR 79 Ca 0.00 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2pnb s TYR 79 Cb 0.00 -0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.40 2pnb s TYR 79 CO 0.00 -0.24 -0.11 0.20 -1.57 0.00 0.00 175.55 173.83 2pnb s GLY 80 N -1.67 1.07 0.00 0.71 0.00 0.34 -4.20 107.32 103.57 2pnb s GLY 80 Ca -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2pnb s GLY 80 CO -0.02 0.66 0.00 0.33 0.00 0.00 0.00 173.10 174.07 2pnb n PHE 81 N 4.81 0.00 0.00 1.90 7.35 -1.26 -2.72 117.46 127.53 2pnb n PHE 81 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2pnb n PHE 81 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2pnb n PHE 81 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2pnb n SER 82 N -0.45 0.00 -4.95 -2.13 3.41 -1.26 -5.10 113.62 103.13 2pnb n SER 82 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2pnb n SER 82 Cb 0.00 0.14 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 2pnb n SER 82 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pnb s ASP 83 N -3.94 5.02 -0.03 4.04 1.11 -1.26 -4.91 116.67 116.68 2pnb s ASP 83 Ca 0.00 0.25 -0.03 0.00 0.18 0.00 0.00 52.55 52.95 2pnb s ASP 83 Cb 0.00 -1.01 -0.12 0.00 1.07 0.00 0.00 42.92 42.86 2pnb s ASP 83 CO 0.00 -1.40 1.97 -0.81 1.18 0.00 0.00 175.17 176.11 2pnb n PRO 84 N -2.67 0.98 -3.06 8.23 -0.04 -1.26 -4.65 135.00 132.53 2pnb n PRO 84 Ca 0.08 -0.51 -0.15 0.00 -0.04 0.00 0.00 63.50 62.89 2pnb n PRO 84 Cb 0.60 -1.76 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2pnb n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pnb n LEU 85 N 2.83 -5.90 0.00 1.53 4.77 -1.26 -4.95 117.00 114.02 2pnb n LEU 85 Ca 0.21 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2pnb n LEU 85 Cb 0.42 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 2pnb n LEU 85 CO 0.21 -1.73 0.00 0.41 -1.33 0.00 0.00 177.39 174.95 2pnb n THR 86 N 0.10 0.00 0.31 -5.08 -1.04 -1.26 -4.84 114.28 102.46 2pnb n THR 86 Ca 0.03 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.22 2pnb n THR 86 Cb 0.45 0.00 0.98 0.00 -1.82 0.00 0.00 70.33 69.94 2pnb n THR 86 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2pnb h PHE 87 N 0.00 0.00 -1.90 -1.42 -0.00 -1.93 -3.45 116.94 108.25 2pnb h PHE 87 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.85 2pnb h PHE 87 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 35.90 2pnb h PHE 87 CO 0.00 0.03 -0.11 0.27 -0.00 0.00 0.00 178.31 178.49 2pnb n ASN 88 N -3.29 -1.63 -3.73 -0.68 0.23 -1.26 -4.87 115.26 100.02 2pnb n ASN 88 Ca -0.02 0.16 -0.12 0.00 -0.53 0.00 0.00 54.58 54.07 2pnb n ASN 88 Cb 0.15 -1.78 -0.12 0.00 -2.08 0.00 0.00 39.78 35.96 2pnb n ASN 88 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2pnb s SER 89 N -1.54 -0.36 -0.06 0.53 0.01 -1.26 -4.55 113.70 106.47 2pnb s SER 89 Ca 0.00 0.67 -0.16 0.00 1.31 0.00 0.00 55.95 57.77 2pnb s SER 89 Cb 0.00 0.60 -0.30 0.00 0.21 0.00 0.00 66.02 66.53 2pnb s SER 89 CO 0.00 -0.15 0.70 0.58 0.41 0.00 0.00 173.24 174.78 2pnb h VAL 90 N 5.29 1.14 -0.82 3.43 2.07 -1.98 -2.93 116.25 122.44 2pnb h VAL 90 Ca -0.34 -2.49 0.16 0.00 0.82 0.00 0.00 66.70 64.85 2pnb h VAL 90 Cb 1.18 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.75 2pnb h VAL 90 CO 0.33 0.75 0.54 0.58 0.02 0.00 0.00 177.57 179.79 2pnb h VAL 91 N -0.17 0.78 -0.09 2.57 2.07 -1.97 0.81 116.25 120.25 2pnb h VAL 91 Ca -0.28 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2pnb h VAL 91 Cb 1.86 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2pnb h VAL 91 CO 0.13 0.09 -0.11 -0.08 0.02 0.00 0.00 177.57 177.62 2pnb h GLU 92 N 0.48 0.23 0.00 1.57 4.81 -1.96 -1.98 114.58 117.73 2pnb h GLU 92 Ca 0.41 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2pnb h GLU 92 Cb 0.89 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2pnb h GLU 92 CO -0.15 0.68 0.00 -0.11 -0.73 0.00 0.00 179.01 178.69 2pnb n LEU 93 N -4.65 0.17 -0.52 1.64 0.00 0.14 -2.48 117.00 111.31 2pnb n LEU 93 Ca -0.07 0.74 0.43 0.00 0.00 0.00 0.00 56.01 57.11 2pnb n LEU 93 Cb 0.34 -0.43 0.70 0.00 0.00 0.00 0.00 43.42 44.04 2pnb n LEU 93 CO 0.37 -0.43 1.27 0.00 0.00 0.00 0.00 177.39 178.61 2pnb n ILE 94 N -1.78 -0.20 -0.06 1.96 0.00 0.26 0.15 119.36 119.70 2pnb n ILE 94 Ca 0.00 1.74 -0.11 0.00 0.00 0.00 0.00 62.75 64.38 2pnb n ILE 94 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 39.64 36.75 2pnb n ILE 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2pnb h ASN 95 N 0.00 0.27 0.08 9.51 -1.24 -1.30 0.74 115.58 123.65 2pnb h ASN 95 Ca 0.89 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.74 2pnb h ASN 95 Cb 3.01 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 41.99 2pnb h ASN 95 CO -0.38 0.35 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.36 2pnb h HIS 96 N 0.18 0.00 0.00 0.67 2.76 0.18 -2.11 115.15 116.82 2pnb h HIS 96 Ca 0.07 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.00 2pnb h HIS 96 Cb 0.16 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 2pnb h HIS 96 CO -0.02 0.01 -2.04 0.66 -1.30 0.00 0.00 177.93 175.25 2pnb n TYR 97 N -3.50 0.29 -0.23 5.26 4.01 -0.72 -3.34 117.16 118.93 2pnb n TYR 97 Ca -0.03 0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2pnb n TYR 97 Cb 0.10 -0.92 0.17 0.00 -0.31 0.00 0.00 39.34 38.38 2pnb n TYR 97 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2pnb h ARG 98 N 0.00 1.04 0.00 -0.72 2.43 0.12 -2.46 114.38 114.79 2pnb h ARG 98 Ca -0.32 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 2pnb h ARG 98 Cb 1.80 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 2pnb h ARG 98 CO 0.03 0.79 -1.06 -0.91 -1.51 0.00 0.00 179.97 177.31 2pnb h ASN 99 N 1.04 0.00 0.00 -3.80 4.21 -1.69 -3.45 115.58 111.90 2pnb h ASN 99 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 2pnb h ASN 99 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2pnb h ASN 99 CO -0.04 0.56 0.00 -0.62 -1.29 0.00 0.00 177.43 176.04 2pnb n GLU 100 N -3.03 0.00 0.00 0.81 1.02 -0.95 -5.14 120.64 113.34 2pnb n GLU 100 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2pnb n GLU 100 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.22 2pnb n GLU 100 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2pnb n SER 101 N 0.00 0.00 -4.57 1.62 7.64 -1.04 -4.90 113.62 112.37 2pnb n SER 101 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2pnb n SER 101 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2pnb n SER 101 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pnb s LEU 102 N 0.00 3.22 0.00 -3.43 1.43 0.04 -4.62 118.68 115.32 2pnb s LEU 102 Ca 0.00 -1.48 0.25 0.00 -1.03 0.00 0.00 54.13 51.86 2pnb s LEU 102 Cb 0.00 -2.58 0.47 0.00 0.03 0.00 0.00 46.19 44.11 2pnb s LEU 102 CO 0.00 -2.62 1.42 0.00 0.23 0.00 0.00 176.35 175.38 2pnb n ALA 103 N 13.08 2.48 -0.02 4.21 0.00 -1.26 -2.60 120.51 136.40 2pnb n ALA 103 Ca 0.43 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2pnb n ALA 103 Cb 0.47 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 2pnb n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pnb n GLN 104 N 1.03 0.64 0.00 0.00 6.02 -1.26 -4.59 117.38 119.22 2pnb n GLN 104 Ca 0.16 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2pnb n GLN 104 Cb 0.53 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2pnb n GLN 104 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2pnb n TYR 105 N -3.06 0.00 -3.10 1.08 4.02 -1.26 -4.49 117.16 110.35 2pnb n TYR 105 Ca -0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.30 2pnb n TYR 105 Cb 1.05 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.31 2pnb n TYR 105 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2pnb s ASN 106 N -2.18 6.43 1.07 7.72 0.01 -1.26 -5.06 114.94 121.67 2pnb s ASN 106 Ca 0.00 0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 52.23 2pnb s ASN 106 Cb 0.00 -2.33 0.07 0.00 0.41 0.00 0.00 41.25 39.40 2pnb s ASN 106 CO 0.00 -0.61 0.20 -0.81 -1.51 0.00 0.00 177.10 174.37 2pnb n PRO 107 N 6.08 -1.98 0.00 -0.60 -0.04 -1.26 -3.53 135.00 133.67 2pnb n PRO 107 Ca -0.01 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 2pnb n PRO 107 Cb 0.48 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 2pnb n PRO 107 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pnb n LYS 108 N -2.46 0.00 0.00 0.54 5.02 -1.26 -4.68 118.16 115.31 2pnb n LYS 108 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2pnb n LYS 108 Cb 0.12 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 2pnb n LYS 108 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2pnb n LEU 109 N 0.00 0.00 -3.50 -0.35 -0.00 -1.23 -5.19 117.00 106.73 2pnb n LEU 109 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2pnb n LEU 109 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2pnb n LEU 109 CO 0.00 0.00 0.58 1.51 -0.00 0.00 0.00 177.39 179.48 2pnb s ASP 110 N 1.57 -0.48 0.11 1.45 -4.77 -1.26 -4.79 116.67 108.51 2pnb s ASP 110 Ca 0.00 0.23 0.08 0.00 -3.30 0.00 0.00 52.55 49.56 2pnb s ASP 110 Cb 0.00 0.45 -0.04 0.00 -1.09 0.00 0.00 42.92 42.25 2pnb s ASP 110 CO 0.00 -0.65 -0.20 -0.69 0.70 0.00 0.00 175.17 174.33 2pnb s VAL 111 N -2.47 1.69 -0.16 2.11 1.01 -1.07 -4.99 120.40 116.51 2pnb s VAL 111 Ca -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 2pnb s VAL 111 Cb -0.01 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.84 2pnb s VAL 111 CO -0.04 -0.13 0.02 -0.54 0.00 0.00 0.00 175.10 174.41 2pnb s LYS 112 N -2.08 0.75 -1.11 2.72 1.02 -1.26 -0.78 119.74 119.00 2pnb s LYS 112 Ca 0.08 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.70 2pnb s LYS 112 Cb -0.09 -1.86 0.28 0.00 -0.52 0.00 0.00 37.83 35.64 2pnb s LYS 112 CO 0.05 -0.54 1.71 1.47 -0.92 0.00 0.00 175.35 177.11 2pnb n LEU 113 N 5.05 6.87 -2.12 3.17 -0.00 -1.26 -4.78 117.00 123.93 2pnb n LEU 113 Ca -0.09 -5.17 -0.26 0.00 -0.00 0.00 0.00 56.01 50.49 2pnb n LEU 113 Cb 0.48 -1.28 0.06 0.00 -0.00 0.00 0.00 43.42 42.69 2pnb n LEU 113 CO 0.13 1.79 1.34 0.18 -0.00 0.00 0.00 177.39 180.83 2pnb n LEU 114 N 1.27 7.09 -3.01 1.47 4.77 -1.26 -4.54 117.00 122.79 2pnb n LEU 114 Ca 0.37 -3.80 -0.17 0.00 -0.03 0.00 0.00 56.01 52.38 2pnb n LEU 114 Cb 0.31 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 2pnb n LEU 114 CO 0.68 1.34 -0.09 -1.22 -1.33 0.00 0.00 177.39 176.77 2pnb n TYR 115 N -0.34 -1.74 -1.56 -1.77 4.02 -1.26 -5.12 117.16 109.40 2pnb n TYR 115 Ca 0.47 -2.73 -0.29 0.00 -0.01 0.00 0.00 57.90 55.34 2pnb n TYR 115 Cb 0.65 0.52 0.14 0.00 -0.02 0.00 0.00 39.34 40.63 2pnb n TYR 115 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2pnb s PRO 116 N -0.27 1.11 0.02 -0.72 0.04 -1.26 -3.70 135.00 130.21 2pnb s PRO 116 Ca 0.33 0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2pnb s PRO 116 Cb 0.18 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 2pnb s PRO 116 CO -0.17 -2.21 -0.07 0.14 0.04 0.00 0.00 177.00 174.74 2pnb s VAL 117 N -3.32 0.49 0.00 -0.36 -7.23 -1.26 -4.89 120.40 103.83 2pnb s VAL 117 Ca 0.64 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2pnb s VAL 117 Cb -0.14 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.30 2pnb s VAL 117 CO 0.53 -0.15 0.00 -0.24 -0.31 0.00 0.00 175.10 174.93 2pnb n SER 118 N 2.14 0.00 0.00 4.85 2.88 -1.26 -4.58 113.62 117.64 2pnb n SER 118 Ca -0.18 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2pnb n SER 118 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2pnb n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pnb n LYS 119 N 0.00 1.37 0.00 -1.46 4.76 -1.26 -5.16 118.16 116.41 2pnb n LYS 119 Ca 0.00 -0.96 0.00 0.00 -2.87 0.00 0.00 58.31 54.48 2pnb n LYS 119 Cb 0.00 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 2pnb n LYS 119 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69