#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3b s PRO 2 N 0.00 1.27 0.35 0.00 0.04 -1.26 -4.38 135.00 131.02 2k3b s PRO 2 Ca 0.00 0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.29 2k3b s PRO 2 Cb 0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2k3b s PRO 2 CO 0.00 -2.08 0.07 1.67 0.04 0.00 0.00 177.00 176.70 2k3b s TRP 3 N -3.41 2.61 0.13 0.56 1.48 -1.26 -1.62 118.94 117.42 2k3b s TRP 3 Ca 0.64 -0.43 -0.05 0.00 -1.06 0.00 0.00 56.10 55.20 2k3b s TRP 3 Cb -0.12 -1.58 -0.02 0.00 -1.16 0.00 0.00 33.47 30.58 2k3b s TRP 3 CO 0.52 0.40 0.15 0.00 -4.06 0.00 0.00 176.95 173.96 2k3b s ALA 4 N -2.49 0.37 -0.14 2.67 0.00 0.37 -0.86 121.76 121.69 2k3b s ALA 4 Ca 0.36 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2k3b s ALA 4 Cb -0.01 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2k3b s ALA 4 CO 0.21 -0.54 -0.19 0.99 0.00 0.00 0.00 175.76 176.23 2k3b s THR 5 N -3.98 2.41 0.24 0.00 2.01 0.06 -0.75 115.64 115.63 2k3b s THR 5 Ca 0.17 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 2k3b s THR 5 Cb 0.06 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 2k3b s THR 5 CO -0.02 0.54 1.36 0.00 -0.69 0.00 0.00 174.62 175.81 2k3b s ALA 6 N 0.66 3.57 -0.07 7.40 0.00 -0.19 -1.54 121.76 131.59 2k3b s ALA 6 Ca -0.09 1.22 0.20 0.00 0.00 0.00 0.00 51.96 53.28 2k3b s ALA 6 Cb -0.16 -3.51 -0.30 0.00 0.00 0.00 0.00 23.12 19.15 2k3b s ALA 6 CO 0.02 -0.63 0.45 0.39 0.00 0.00 0.00 175.76 175.98 2k3b n GLU 7 N 2.29 0.60 -4.01 0.00 -0.58 -0.57 -0.31 120.64 118.06 2k3b n GLU 7 Ca 0.06 -0.17 -0.11 0.00 -0.42 0.00 0.00 57.16 56.51 2k3b n GLU 7 Cb 0.42 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 2k3b n GLU 7 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2k3b s TYR 8 N -3.33 0.41 0.20 -0.32 2.02 -1.22 -4.85 117.35 110.27 2k3b s TYR 8 Ca -0.07 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.87 2k3b s TYR 8 Cb 0.13 -0.27 -0.09 0.00 -0.40 0.00 0.00 41.96 41.33 2k3b s TYR 8 CO 0.81 -0.12 1.41 0.34 -1.57 0.00 0.00 175.55 176.42 2k3b s ASP 9 N -1.33 6.74 -0.10 2.29 -1.08 -1.26 -4.19 116.67 117.74 2k3b s ASP 9 Ca -0.12 2.53 0.01 0.00 -0.52 0.00 0.00 52.55 54.46 2k3b s ASP 9 Cb -0.09 -2.61 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2k3b s ASP 9 CO -0.00 -0.66 -0.11 -0.47 0.52 0.00 0.00 175.17 174.45 2k3b s TYR 10 N 0.33 1.63 -0.27 -5.34 5.04 -0.87 -4.94 117.35 112.92 2k3b s TYR 10 Ca 0.61 -0.77 -0.09 0.00 -2.44 0.00 0.00 57.07 54.37 2k3b s TYR 10 Cb -0.40 -1.26 -0.03 0.00 0.35 0.00 0.00 41.96 40.62 2k3b s TYR 10 CO 0.38 -0.46 0.14 -0.51 -1.34 0.00 0.00 175.55 173.75 2k3b s ASP 11 N 1.30 5.58 0.29 4.32 1.01 -1.26 -1.33 116.67 126.57 2k3b s ASP 11 Ca -0.02 -0.17 -0.30 0.00 0.71 0.00 0.00 52.55 52.77 2k3b s ASP 11 Cb -0.14 -2.02 -0.11 0.00 1.01 0.00 0.00 42.92 41.66 2k3b s ASP 11 CO -0.04 -0.07 1.51 0.00 0.21 0.00 0.00 175.17 176.78 2k3b s ALA 12 N 1.68 3.67 -1.64 5.23 0.00 -1.24 -4.88 121.76 124.57 2k3b s ALA 12 Ca 0.06 1.46 0.16 0.00 0.00 0.00 0.00 51.96 53.65 2k3b s ALA 12 Cb -0.16 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.40 2k3b s ALA 12 CO 0.07 -0.88 0.90 0.00 0.00 0.00 0.00 175.76 175.85 2k3b n ALA 13 N 1.94 2.94 -2.24 0.00 0.00 -1.26 -4.98 120.51 116.91 2k3b n ALA 13 Ca 0.06 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 2k3b n ALA 13 Cb 0.39 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 2k3b n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k3b s GLU 14 N -1.71 1.05 0.33 0.00 2.02 -1.26 -5.05 118.70 114.08 2k3b s GLU 14 Ca 0.15 -1.47 0.05 0.00 0.02 0.00 0.00 54.97 53.72 2k3b s GLU 14 Cb 0.13 -0.47 0.59 0.00 0.10 0.00 0.00 34.13 34.48 2k3b s GLU 14 CO 0.34 -0.00 1.84 -0.44 0.02 0.00 0.00 175.26 177.02 2k3b h ASP 15 N 2.77 0.44 -0.17 -0.19 3.32 -2.03 -2.56 116.42 118.00 2k3b h ASP 15 Ca -0.36 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k3b h ASP 15 Cb 1.19 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2k3b h ASP 15 CO 0.64 0.57 0.00 -0.46 -1.72 0.00 0.00 179.24 178.27 2k3b n ASN 16 N -4.24 1.19 -4.75 6.45 0.23 -1.26 -4.87 115.26 108.00 2k3b n ASN 16 Ca 0.01 -1.80 -0.36 0.00 -0.53 0.00 0.00 54.58 51.90 2k3b n ASN 16 Cb 0.29 -0.11 -0.08 0.00 -2.08 0.00 0.00 39.78 37.79 2k3b n ASN 16 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2k3b s GLU 17 N -1.77 3.31 0.33 -3.83 2.02 -0.97 -0.37 118.70 117.42 2k3b s GLU 17 Ca 0.23 -0.29 -0.27 0.00 0.02 0.00 0.00 54.97 54.66 2k3b s GLU 17 Cb 0.12 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.25 2k3b s GLU 17 CO 0.18 0.67 1.10 -0.51 0.02 0.00 0.00 175.26 176.72 2k3b s LEU 18 N -0.75 4.38 -0.16 1.80 1.43 -0.39 -4.69 118.68 120.31 2k3b s LEU 18 Ca 0.12 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 2k3b s LEU 18 Cb -0.12 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 2k3b s LEU 18 CO 0.03 -0.33 -0.08 -0.89 0.23 0.00 0.00 176.35 175.31 2k3b s THR 19 N -1.33 3.44 0.25 5.49 2.01 -1.26 -3.64 115.64 120.61 2k3b s THR 19 Ca 0.50 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 2k3b s THR 19 Cb -0.29 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.73 2k3b s THR 19 CO 0.37 0.49 0.58 0.72 -0.69 0.00 0.00 174.62 176.10 2k3b s PHE 20 N 0.54 0.08 0.29 4.92 -0.12 -0.44 -4.95 117.98 118.30 2k3b s PHE 20 Ca -0.05 -0.48 0.11 0.00 -0.05 0.00 0.00 56.93 56.46 2k3b s PHE 20 Cb -0.15 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 2k3b s PHE 20 CO 0.03 -1.08 -0.18 0.14 -0.05 0.00 0.00 175.22 174.08 2k3b s VAL 21 N -3.96 2.41 0.20 -2.49 -7.23 -1.26 -2.06 120.40 106.00 2k3b s VAL 21 Ca 0.16 -2.37 -0.31 0.00 -1.81 0.00 0.00 61.98 57.65 2k3b s VAL 21 Cb -0.03 -2.34 -0.16 0.00 0.56 0.00 0.00 36.38 34.41 2k3b s VAL 21 CO 0.07 -0.38 0.97 1.21 -0.31 0.00 0.00 175.10 176.66 2k3b n GLU 22 N -0.63 0.86 -0.11 4.82 2.13 -1.26 -1.30 120.64 125.14 2k3b n GLU 22 Ca -0.05 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2k3b n GLU 22 Cb 0.61 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.66 2k3b n GLU 22 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2k3b n ASN 23 N 1.75 0.00 -4.76 4.31 3.02 0.58 -4.96 115.26 115.19 2k3b n ASN 23 Ca 0.15 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 2k3b n ASN 23 Cb 0.25 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 2k3b n ASN 23 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k3b s ASP 24 N -3.86 5.74 -0.06 6.41 1.01 -0.42 -4.64 116.67 120.84 2k3b s ASP 24 Ca 0.00 2.39 -0.11 0.00 0.71 0.00 0.00 52.55 55.54 2k3b s ASP 24 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2k3b s ASP 24 CO 0.00 -1.22 0.27 -0.54 0.21 0.00 0.00 175.17 173.89 2k3b s LYS 25 N -2.95 3.70 -0.15 8.23 1.02 -1.26 -1.02 119.74 127.31 2k3b s LYS 25 Ca 0.69 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.83 2k3b s LYS 25 Cb -0.30 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 2k3b s LYS 25 CO 0.36 0.71 -0.17 0.42 -0.92 0.00 0.00 175.35 175.75 2k3b s ILE 26 N -0.99 2.46 0.35 2.17 1.09 0.07 -1.50 121.20 124.85 2k3b s ILE 26 Ca 0.19 -0.84 0.09 0.00 -1.10 0.00 0.00 60.65 58.99 2k3b s ILE 26 Cb -0.14 -2.02 -0.05 0.00 -1.06 0.00 0.00 42.46 39.18 2k3b s ILE 26 CO 0.08 0.53 0.05 0.27 -0.10 0.00 0.00 174.94 175.77 2k3b s ILE 27 N 0.85 2.58 -1.33 2.92 -4.36 0.15 -0.48 121.20 121.54 2k3b s ILE 27 Ca -0.05 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2k3b s ILE 27 Cb -0.15 -2.85 -0.00 0.00 1.25 0.00 0.00 42.46 40.70 2k3b s ILE 27 CO -0.01 -0.16 0.58 0.59 0.24 0.00 0.00 174.94 176.18 2k3b n ASN 28 N -1.01 -1.19 -4.71 4.36 3.02 -1.17 -1.56 115.26 113.00 2k3b n ASN 28 Ca -0.04 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 2k3b n ASN 28 Cb 0.63 -3.55 -0.03 0.00 -0.61 0.00 0.00 39.78 36.21 2k3b n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k3b s ILE 29 N -3.78 3.23 -0.21 2.41 1.01 -0.64 -4.56 121.20 118.65 2k3b s ILE 29 Ca 0.05 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2k3b s ILE 29 Cb -0.02 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2k3b s ILE 29 CO 0.85 0.04 -0.07 -1.61 0.00 0.00 0.00 174.94 174.15 2k3b s GLU 30 N 1.57 3.31 -1.13 2.79 2.02 0.16 -4.31 118.70 123.10 2k3b s GLU 30 Ca 0.67 -0.66 -0.19 0.00 0.02 0.00 0.00 54.97 54.81 2k3b s GLU 30 Cb -0.37 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 2k3b s GLU 30 CO 0.30 -0.20 2.02 1.19 0.02 0.00 0.00 175.26 178.59 2k3b n PHE 31 N 4.76 2.91 -0.09 1.61 3.72 -1.26 -1.05 117.46 128.07 2k3b n PHE 31 Ca -0.19 -2.32 -0.06 0.00 -0.05 0.00 0.00 57.45 54.83 2k3b n PHE 31 Cb 0.51 -2.23 0.13 0.00 -0.94 0.00 0.00 39.48 36.94 2k3b n PHE 31 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2k3b h VAL 32 N 4.62 1.26 -4.12 -4.37 3.04 -1.91 -3.46 116.25 111.32 2k3b h VAL 32 Ca 0.46 -1.18 -0.14 0.00 -1.01 0.00 0.00 66.70 64.82 2k3b h VAL 32 Cb 0.71 1.07 -0.13 0.00 -2.01 0.00 0.00 31.29 30.93 2k3b h VAL 32 CO 1.79 0.40 -0.42 -0.62 -1.01 0.00 0.00 177.57 177.72 2k3b s ASP 33 N -6.71 0.09 0.29 3.17 -1.08 -0.68 -5.05 116.67 106.70 2k3b s ASP 33 Ca -0.09 -1.08 0.03 0.00 -0.52 0.00 0.00 52.55 50.90 2k3b s ASP 33 Cb 0.14 0.42 0.44 0.00 -1.46 0.00 0.00 42.92 42.46 2k3b s ASP 33 CO 0.82 -0.90 1.73 -2.24 0.52 0.00 0.00 175.17 175.10 2k3b h ASP 34 N 2.57 0.44 0.03 -0.34 2.03 -2.01 -3.34 116.42 115.80 2k3b h ASP 34 Ca -0.32 -0.15 -0.38 0.00 -0.73 0.00 0.00 57.03 55.44 2k3b h ASP 34 Cb 1.23 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 39.55 2k3b h ASP 34 CO 0.49 0.70 -2.38 -0.90 -1.03 0.00 0.00 179.24 176.12 2k3b n ASP 35 N -4.12 1.90 -4.50 4.15 5.75 -1.26 -4.93 116.55 113.54 2k3b n ASP 35 Ca -0.00 -0.07 -0.34 0.00 -0.01 0.00 0.00 54.79 54.37 2k3b n ASP 35 Cb 0.40 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 39.95 2k3b n ASP 35 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2k3b s TRP 36 N -2.53 2.94 0.17 2.11 0.52 -1.25 -1.12 118.94 119.79 2k3b s TRP 36 Ca -0.31 -0.27 0.10 0.00 0.02 0.00 0.00 56.10 55.64 2k3b s TRP 36 Cb 0.08 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2k3b s TRP 36 CO 0.64 0.04 -0.19 -1.58 0.02 0.00 0.00 176.95 175.89 2k3b s TRP 37 N -0.03 2.45 -0.17 -1.98 0.51 -0.20 -1.69 118.94 117.83 2k3b s TRP 37 Ca -0.00 -0.30 -0.09 0.00 -2.12 0.00 0.00 56.10 53.59 2k3b s TRP 37 Cb -0.14 -1.23 -0.05 0.00 -0.81 0.00 0.00 33.47 31.25 2k3b s TRP 37 CO 0.03 0.48 0.13 -1.17 -0.51 0.00 0.00 176.95 175.90 2k3b s LEU 38 N -2.60 4.24 0.36 2.99 2.96 -0.22 -0.41 118.68 126.01 2k3b s LEU 38 Ca 0.21 0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 54.32 2k3b s LEU 38 Cb -0.09 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2k3b s LEU 38 CO 0.11 0.25 0.65 -0.83 -1.32 0.00 0.00 176.35 175.22 2k3b s GLY 39 N -0.09 0.84 -0.01 7.98 0.00 -0.85 0.38 107.32 115.57 2k3b s GLY 39 Ca 0.10 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.81 2k3b s GLY 39 CO 0.00 -0.60 -0.19 1.85 0.00 0.00 0.00 173.10 174.16 2k3b s GLU 40 N -2.69 1.51 0.10 2.90 2.12 -0.60 -1.30 118.70 120.73 2k3b s GLU 40 Ca 0.22 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 2k3b s GLU 40 Cb -0.03 -1.46 -0.06 0.00 0.26 0.00 0.00 34.13 32.84 2k3b s GLU 40 CO 0.15 0.40 1.13 -0.51 -0.54 0.00 0.00 175.26 175.89 2k3b s LEU 41 N -0.48 4.42 0.30 2.70 1.43 0.17 0.33 118.68 127.54 2k3b s LEU 41 Ca 0.07 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2k3b s LEU 41 Cb -0.07 -3.59 0.51 0.00 0.03 0.00 0.00 46.19 43.07 2k3b s LEU 41 CO -0.01 -0.34 1.92 -0.08 0.23 0.00 0.00 176.35 178.07 2k3b h GLU 42 N 6.12 1.02 0.00 1.70 4.81 -1.62 -1.19 114.58 125.43 2k3b h GLU 42 Ca -0.43 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2k3b h GLU 42 Cb 1.21 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2k3b h GLU 42 CO 0.77 0.68 -0.11 1.57 -0.73 0.00 0.00 179.01 181.18 2k3b h LYS 43 N 1.05 0.00 0.00 1.92 2.10 -1.92 -3.38 116.57 116.34 2k3b h LYS 43 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2k3b h LYS 43 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2k3b h LYS 43 CO -0.13 0.11 0.00 -0.40 -2.00 0.00 0.00 179.45 177.03 2k3b n ASP 44 N -3.18 0.00 0.00 7.07 5.68 -1.19 -5.03 116.55 119.90 2k3b n ASP 44 Ca 0.02 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.38 2k3b n ASP 44 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2k3b n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3b n GLY 45 N 0.00 0.82 3.77 6.12 0.00 -0.46 -5.00 105.19 110.45 2k3b n GLY 45 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2k3b n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3b s SER 46 N -2.74 5.65 0.07 1.61 1.04 -1.26 -4.71 113.70 113.36 2k3b s SER 46 Ca 0.00 2.13 0.05 0.00 0.48 0.00 0.00 55.95 58.62 2k3b s SER 46 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2k3b s SER 46 CO 0.00 -1.26 -0.15 -0.54 0.98 0.00 0.00 173.24 172.27 2k3b s LYS 47 N -3.42 0.84 0.00 4.02 1.02 -1.26 -0.66 119.74 120.28 2k3b s LYS 47 Ca 0.71 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2k3b s LYS 47 Cb -0.23 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.21 2k3b s LYS 47 CO 0.29 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 2k3b n GLY 48 N 1.27 0.28 3.76 -3.33 0.00 -0.42 -4.76 105.19 101.99 2k3b n GLY 48 Ca -0.21 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 2k3b n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k3b s LEU 49 N 0.00 4.53 0.02 0.99 1.43 0.50 -2.01 118.68 124.14 2k3b s LEU 49 Ca 0.00 2.29 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2k3b s LEU 49 Cb 0.00 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2k3b s LEU 49 CO 0.00 -0.20 -0.02 0.72 0.23 0.00 0.00 176.35 177.08 2k3b s PHE 50 N -1.02 0.25 0.09 0.29 -0.71 0.45 -1.26 117.98 116.07 2k3b s PHE 50 Ca 0.46 -0.51 -0.30 0.00 -1.04 0.00 0.00 56.93 55.53 2k3b s PHE 50 Cb -0.33 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 2k3b s PHE 50 CO 0.41 -0.20 0.97 -1.25 -1.34 0.00 0.00 175.22 173.82 2k3b s PRO 51 N -1.49 4.67 0.34 1.99 0.04 -1.26 -1.03 135.00 138.26 2k3b s PRO 51 Ca -0.16 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.38 2k3b s PRO 51 Cb -0.10 -3.39 0.62 0.00 0.04 0.00 0.00 34.50 31.68 2k3b s PRO 51 CO -0.01 0.16 1.91 0.77 0.04 0.00 0.00 177.00 179.87 2k3b h SER 52 N 5.77 0.55 0.24 6.66 0.02 -1.47 -2.58 113.55 122.74 2k3b h SER 52 Ca -0.43 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2k3b h SER 52 Cb 1.21 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k3b h SER 52 CO 0.72 0.55 0.00 -3.20 -1.14 0.00 0.00 176.83 173.76 2k3b n ASN 53 N -4.33 0.00 -0.65 3.07 5.15 -1.26 -2.08 115.26 115.16 2k3b n ASN 53 Ca 0.03 0.28 0.13 0.00 -0.60 0.00 0.00 54.58 54.42 2k3b n ASN 53 Cb 0.19 -0.37 0.37 0.00 -0.53 0.00 0.00 39.78 39.44 2k3b n ASN 53 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k3b n TYR 54 N -1.37 0.00 -4.16 1.20 4.02 -0.97 -4.92 117.16 110.96 2k3b n TYR 54 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.83 2k3b n TYR 54 Cb 0.09 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.31 2k3b n TYR 54 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2k3b s VAL 55 N -2.00 0.35 -0.04 -0.72 -7.23 -0.88 -1.51 120.40 108.36 2k3b s VAL 55 Ca 0.34 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2k3b s VAL 55 Cb 0.21 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2k3b s VAL 55 CO 0.32 -0.63 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.47 2k3b s SER 56 N -3.05 1.15 0.42 4.85 1.04 -0.59 -4.88 113.70 112.65 2k3b s SER 56 Ca 0.19 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.18 2k3b s SER 56 Cb 0.07 -0.50 -0.09 0.00 0.10 0.00 0.00 66.02 65.59 2k3b s SER 56 CO -0.01 -0.01 1.45 -0.76 0.98 0.00 0.00 173.24 174.89 2k3b s LEU 57 N 0.69 4.20 0.00 2.42 1.43 -1.26 -0.76 118.68 125.40 2k3b s LEU 57 Ca -0.11 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 2k3b s LEU 57 Cb -0.13 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2k3b s LEU 57 CO 0.01 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.15 2k3b n GLY 58 N 0.54 -1.08 0.11 -3.19 0.00 -0.03 -4.77 105.19 96.76 2k3b n GLY 58 Ca 0.03 -1.19 0.16 0.00 0.00 0.00 0.00 46.02 45.02 2k3b n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02