#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 n ARG 2 N 0.00 0.00 -3.72 1.61 0.63 -1.26 -5.04 116.66 108.88 2k40 n ARG 2 Ca 0.00 -0.61 -0.35 0.00 -0.92 0.00 0.00 57.85 55.97 2k40 n ARG 2 Cb 0.00 -0.35 -0.09 0.00 0.45 0.00 0.00 32.46 32.47 2k40 n ARG 2 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2k40 s ARG 3 N 0.00 2.75 -1.12 -0.14 3.00 -1.26 -5.03 118.95 117.15 2k40 s ARG 3 Ca 0.00 -2.83 -0.19 0.00 -1.00 0.00 0.00 55.73 51.71 2k40 s ARG 3 Cb 0.00 -3.76 -0.06 0.00 0.00 0.00 0.00 34.95 31.14 2k40 s ARG 3 CO 0.00 -1.21 2.01 -0.35 0.00 0.00 0.00 175.30 175.75 2k40 n PRO 4 N 2.99 2.17 -3.86 5.12 -0.04 -1.26 -4.91 135.00 135.21 2k40 n PRO 4 Ca 0.13 -2.35 -0.36 0.00 -0.04 0.00 0.00 63.50 60.88 2k40 n PRO 4 Cb 0.37 -3.21 -0.07 0.00 -0.04 0.00 0.00 33.50 30.55 2k40 n PRO 4 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2k40 s ARG 5 N 4.48 3.61 -0.12 0.54 3.52 -1.26 -4.94 118.95 124.77 2k40 s ARG 5 Ca 0.55 -0.16 -0.05 0.00 -0.13 0.00 0.00 55.73 55.93 2k40 s ARG 5 Cb 0.11 -3.23 0.06 0.00 -1.56 0.00 0.00 34.95 30.33 2k40 s ARG 5 CO 0.05 0.66 0.27 0.99 -0.81 0.00 0.00 175.30 176.46 2k40 s THR 6 N -0.68 -0.21 0.21 4.11 2.01 -1.26 -5.07 115.64 114.74 2k40 s THR 6 Ca 0.13 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2k40 s THR 6 Cb -0.12 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2k40 s THR 6 CO 0.02 0.08 0.09 0.00 -0.69 0.00 0.00 174.62 174.13 2k40 s ALA 7 N 1.79 1.35 0.00 7.40 0.00 -1.26 -4.59 121.76 126.45 2k40 s ALA 7 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2k40 s ALA 7 Cb -0.11 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2k40 s ALA 7 CO -0.09 -0.49 0.00 1.19 0.00 0.00 0.00 175.76 176.37 2k40 n PHE 8 N -0.31 0.00 -1.89 0.00 3.72 -1.26 -5.13 117.46 112.59 2k40 n PHE 8 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 2k40 n PHE 8 Cb 0.65 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.21 2k40 n PHE 8 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2k40 s THR 9 N -1.31 2.29 0.41 4.37 -1.32 -1.26 -4.86 115.64 113.97 2k40 s THR 9 Ca 0.00 0.24 0.12 0.00 -1.21 0.00 0.00 61.69 60.85 2k40 s THR 9 Cb 0.00 -3.13 0.33 0.00 -1.51 0.00 0.00 72.50 68.18 2k40 s THR 9 CO 0.00 0.02 1.96 -0.61 -2.21 0.00 0.00 174.62 173.78 2k40 h GLN 10 N 2.07 0.48 0.00 7.08 4.15 -2.00 0.48 115.11 127.36 2k40 h GLN 10 Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2k40 h GLN 10 Cb 1.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2k40 h GLN 10 CO 0.60 0.32 0.00 -1.71 -1.93 0.00 0.00 178.83 176.10 2k40 n ASN 11 N -4.48 0.00 -0.11 -0.69 2.85 -1.26 -1.20 115.26 110.37 2k40 n ASN 11 Ca 0.11 -0.40 -0.23 0.00 -0.11 0.00 0.00 54.58 53.96 2k40 n ASN 11 Cb 0.38 -0.07 -0.08 0.00 1.24 0.00 0.00 39.78 41.25 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2k40 n GLN 12 N -1.07 0.47 -0.27 1.20 7.27 0.02 -4.73 117.38 120.28 2k40 n GLN 12 Ca 0.12 0.20 0.08 0.00 0.07 0.00 0.00 57.00 57.47 2k40 n GLN 12 Cb 0.08 -1.29 0.21 0.00 2.41 0.00 0.00 30.24 31.65 2k40 n GLN 12 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2k40 h ILE 13 N -0.70 0.36 -0.95 1.69 1.08 -0.74 -0.31 117.51 117.94 2k40 h ILE 13 Ca -0.55 -0.06 0.16 0.00 -0.39 0.00 0.00 64.86 64.02 2k40 h ILE 13 Cb 1.51 0.17 -0.08 0.00 -3.07 0.00 0.00 36.82 35.35 2k40 h ILE 13 CO -0.31 0.03 0.60 -0.33 -0.69 0.00 0.00 178.15 177.45 2k40 h GLU 14 N 0.18 0.71 -0.06 2.37 4.39 -1.44 0.17 114.58 120.89 2k40 h GLU 14 Ca 0.47 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2k40 h GLU 14 Cb 0.88 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2k40 h GLU 14 CO -0.64 0.47 -0.00 0.28 -1.16 0.00 0.00 179.01 177.96 2k40 h VAL 15 N 0.73 1.25 -0.45 3.13 2.07 -1.33 -0.32 116.25 121.32 2k40 h VAL 15 Ca 0.49 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k40 h VAL 15 Cb 0.79 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2k40 h VAL 15 CO -0.26 0.21 0.29 -0.07 0.02 0.00 0.00 177.57 177.77 2k40 h LEU 16 N -0.19 0.53 -0.46 2.57 4.07 -1.31 -1.97 115.31 118.54 2k40 h LEU 16 Ca 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2k40 h LEU 16 Cb 0.33 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2k40 h LEU 16 CO 0.00 0.39 0.27 -0.33 -1.08 0.00 0.00 178.44 177.69 2k40 h GLU 17 N 0.61 0.63 0.00 1.13 5.08 -0.69 -0.84 114.58 120.49 2k40 h GLU 17 Ca 0.16 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2k40 h GLU 17 Cb -0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2k40 h GLU 17 CO -0.03 0.48 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.41 2k40 h ASN 18 N 0.61 0.00 0.18 1.42 2.35 -0.86 0.14 115.58 119.41 2k40 h ASN 18 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2k40 h ASN 18 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2k40 h ASN 18 CO -0.03 0.13 -0.08 0.58 -1.65 0.00 0.00 177.43 176.38 2k40 h VAL 19 N 0.00 0.91 -0.54 2.81 2.07 -1.14 -3.31 116.25 117.04 2k40 h VAL 19 Ca -0.00 -0.97 0.15 0.00 0.82 0.00 0.00 66.70 66.70 2k40 h VAL 19 Cb 0.33 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2k40 h VAL 19 CO 0.02 0.20 0.38 0.15 0.02 0.00 0.00 177.57 178.34 2k40 h PHE 20 N -0.75 0.05 0.00 1.57 3.57 -0.57 0.32 116.94 121.14 2k40 h PHE 20 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k40 h PHE 20 Cb 0.51 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k40 h PHE 20 CO 0.07 0.02 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.05 2k40 h ARG 21 N 0.05 0.00 0.00 1.11 9.65 -0.83 -2.56 114.38 121.79 2k40 h ARG 21 Ca 0.26 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 2k40 h ARG 21 Cb 0.96 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.54 2k40 h ARG 21 CO -0.01 0.03 -1.03 0.28 2.80 0.00 0.00 179.97 182.03 2k40 n VAL 22 N -3.50 0.03 -3.47 0.20 0.31 -0.29 -4.89 118.33 106.72 2k40 n VAL 22 Ca -0.02 -0.02 -0.25 0.00 -0.01 0.00 0.00 64.34 64.04 2k40 n VAL 22 Cb 0.14 -0.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.97 2k40 n VAL 22 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k40 s ASN 23 N -3.09 2.68 0.00 4.52 3.84 -0.05 -5.03 114.94 117.80 2k40 s ASN 23 Ca -0.00 -1.36 0.16 0.00 0.21 0.00 0.00 52.86 51.87 2k40 s ASN 23 Cb 0.00 -0.03 0.72 0.00 -0.55 0.00 0.00 41.25 41.39 2k40 s ASN 23 CO 0.02 -0.38 1.48 0.00 -2.79 0.00 0.00 177.10 175.43 2k40 n TYR 25 N -1.41 -1.58 -1.28 0.00 9.36 -1.26 -4.86 117.16 116.13 2k40 n TYR 25 Ca 0.05 -2.85 -0.10 0.00 3.32 0.00 0.00 57.90 58.32 2k40 n TYR 25 Cb 0.16 0.46 0.07 0.00 -0.63 0.00 0.00 39.34 39.40 2k40 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2k40 n PRO 26 N 2.34 -0.53 -2.74 2.98 -0.04 -1.26 -5.11 135.00 130.64 2k40 n PRO 26 Ca 0.23 -0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 2k40 n PRO 26 Cb 0.52 -0.48 0.06 0.00 -0.04 0.00 0.00 33.50 33.56 2k40 n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k40 s GLY 27 N -3.95 1.81 0.19 0.55 0.00 -1.26 -5.01 107.32 99.65 2k40 s GLY 27 Ca 0.26 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 2k40 s GLY 27 CO 0.18 -1.24 1.74 -2.22 0.00 0.00 0.00 173.10 171.56 2k40 h ILE 28 N 0.01 1.25 -0.78 0.90 1.08 -1.99 -2.53 117.51 115.45 2k40 h ILE 28 Ca -0.38 -0.80 0.07 0.00 -0.39 0.00 0.00 64.86 63.35 2k40 h ILE 28 Cb 1.29 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 2k40 h ILE 28 CO 0.46 0.32 0.51 -0.78 -0.69 0.00 0.00 178.15 177.97 2k40 h ASP 29 N 0.97 0.73 -0.39 1.72 3.58 -1.97 0.27 116.42 121.33 2k40 h ASP 29 Ca 0.22 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 2k40 h ASP 29 Cb 0.25 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2k40 h ASP 29 CO -0.01 0.47 -0.17 0.40 -2.88 0.00 0.00 179.24 177.05 2k40 h ILE 30 N 0.83 1.28 -0.31 2.25 5.03 -1.87 0.12 117.51 124.83 2k40 h ILE 30 Ca 0.34 -1.29 -0.01 0.00 -0.12 0.00 0.00 64.86 63.77 2k40 h ILE 30 Cb 0.25 1.30 -0.01 0.00 -3.03 0.00 0.00 36.82 35.33 2k40 h ILE 30 CO -0.12 0.43 0.15 -0.07 -0.68 0.00 0.00 178.15 177.86 2k40 h LEU 31 N 0.60 0.42 -0.51 1.44 3.38 -0.92 -2.14 115.31 117.57 2k40 h LEU 31 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2k40 h LEU 31 Cb 0.71 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2k40 h LEU 31 CO 0.05 0.43 0.22 -0.33 0.09 0.00 0.00 178.44 178.91 2k40 h GLU 32 N 0.37 0.75 -0.39 1.13 5.08 -0.43 0.39 114.58 121.48 2k40 h GLU 32 Ca 0.11 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2k40 h GLU 32 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k40 h GLU 32 CO -0.01 0.65 -0.02 0.22 -1.00 0.00 0.00 179.01 178.85 2k40 h ASP 33 N 0.69 0.60 0.03 1.42 1.82 -0.77 0.32 116.42 120.53 2k40 h ASP 33 Ca 0.17 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2k40 h ASP 33 Cb 0.16 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.02 2k40 h ASP 33 CO -0.02 0.69 -0.01 -0.07 -1.61 0.00 0.00 179.24 178.22 2k40 h LEU 34 N 0.60 -0.03 -0.76 2.28 3.38 -1.28 -1.34 115.31 118.15 2k40 h LEU 34 Ca 0.12 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.90 2k40 h LEU 34 Cb 0.40 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2k40 h LEU 34 CO 0.02 0.28 0.40 0.00 0.09 0.00 0.00 178.44 179.22 2k40 h ALA 35 N 0.62 1.07 0.06 1.53 0.00 -0.69 0.04 119.26 121.89 2k40 h ALA 35 Ca -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k40 h ALA 35 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k40 h ALA 35 CO 0.01 -0.01 -0.05 1.96 0.00 0.00 0.00 179.25 181.16 2k40 h GLN 36 N 0.66 -0.10 0.00 0.00 1.08 -0.98 -2.57 115.11 113.20 2k40 h GLN 36 Ca 0.38 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 2k40 h GLN 36 Cb 0.41 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2k40 h GLN 36 CO -0.28 -0.07 0.00 0.87 -0.95 0.00 0.00 178.83 178.41 2k40 h LYS 37 N -0.10 0.00 0.00 1.46 1.57 -0.88 -3.13 116.57 115.49 2k40 h LYS 37 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k40 h LYS 37 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2k40 h LYS 37 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 2k40 n LEU 38 N -2.32 1.30 -3.25 2.94 4.77 -0.03 -5.07 117.00 115.35 2k40 n LEU 38 Ca 0.02 -1.30 -0.10 0.00 -0.03 0.00 0.00 56.01 54.60 2k40 n LEU 38 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2k40 n LEU 38 CO 0.20 0.33 0.12 -3.20 -1.33 0.00 0.00 177.39 173.50 2k40 n ASN 39 N -0.17 -6.93 -4.12 -1.43 5.15 -1.00 -5.01 115.26 101.75 2k40 n ASN 39 Ca 0.00 -0.23 -0.10 0.00 -0.60 0.00 0.00 54.58 53.66 2k40 n ASN 39 Cb 0.10 -4.17 -0.09 0.00 -0.53 0.00 0.00 39.78 35.08 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k40 s LEU 40 N -3.97 1.58 0.37 1.20 1.43 -1.02 -5.08 118.68 113.19 2k40 s LEU 40 Ca 0.06 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 2k40 s LEU 40 Cb -0.01 0.47 -0.10 0.00 0.03 0.00 0.00 46.19 46.57 2k40 s LEU 40 CO 0.80 -0.77 0.94 -1.83 0.23 0.00 0.00 176.35 175.72 2k40 s GLU 41 N -4.04 4.40 0.41 1.70 1.03 -1.26 -4.56 118.70 116.38 2k40 s GLU 41 Ca 0.24 1.21 0.19 0.00 0.03 0.00 0.00 54.97 56.64 2k40 s GLU 41 Cb 0.07 -2.51 1.12 0.00 -0.80 0.00 0.00 34.13 32.01 2k40 s GLU 41 CO 0.02 0.14 1.80 1.25 -1.33 0.00 0.00 175.26 177.14 2k40 h LEU 42 N 2.57 0.41 -0.83 1.83 6.46 -1.93 -1.02 115.31 122.80 2k40 h LEU 42 Ca -0.48 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.43 2k40 h LEU 42 Cb 1.19 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 41.04 2k40 h LEU 42 CO 0.63 0.11 0.49 -0.78 -0.62 0.00 0.00 178.44 178.27 2k40 h ASP 43 N 0.38 0.72 0.58 1.25 3.58 -1.98 0.18 116.42 121.13 2k40 h ASP 43 Ca 0.55 0.04 -0.18 0.00 0.42 0.00 0.00 57.03 57.86 2k40 h ASP 43 Cb 1.43 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 2k40 h ASP 43 CO -0.24 0.43 -0.79 0.03 -2.88 0.00 0.00 179.24 175.79 2k40 h ARG 44 N 0.84 0.16 -0.58 0.28 3.08 -1.60 -0.35 114.38 116.22 2k40 h ARG 44 Ca 0.39 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 2k40 h ARG 44 Cb 0.31 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2k40 h ARG 44 CO -0.22 0.87 -0.06 0.82 -1.07 0.00 0.00 179.97 180.30 2k40 h ILE 45 N 0.10 1.27 0.68 2.04 1.08 -1.06 -0.36 117.51 121.24 2k40 h ILE 45 Ca -0.03 -1.22 -0.03 0.00 -0.39 0.00 0.00 64.86 63.20 2k40 h ILE 45 Cb 1.38 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2k40 h ILE 45 CO 0.12 0.44 -0.44 1.56 -0.69 0.00 0.00 178.15 179.14 2k40 h GLN 46 N 0.95 -1.02 -0.94 2.37 1.08 -0.53 0.69 115.11 117.71 2k40 h GLN 46 Ca 0.16 0.07 0.14 0.00 -1.45 0.00 0.00 58.65 57.56 2k40 h GLN 46 Cb 0.63 0.23 -0.08 0.00 -0.05 0.00 0.00 27.48 28.21 2k40 h GLN 46 CO 0.04 -0.68 0.60 0.82 -0.95 0.00 0.00 178.83 178.66 2k40 h ILE 47 N -1.06 0.86 0.88 2.54 2.04 -1.07 0.92 117.51 122.62 2k40 h ILE 47 Ca -0.09 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2k40 h ILE 47 Cb 0.86 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2k40 h ILE 47 CO 0.07 0.15 -0.42 -0.25 0.00 0.00 0.00 178.15 177.70 2k40 h TRP 48 N 0.82 -1.10 -0.69 1.37 7.01 -0.78 -0.81 115.95 121.78 2k40 h TRP 48 Ca 0.48 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.48 2k40 h TRP 48 Cb 0.64 0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 28.02 2k40 h TRP 48 CO -0.00 -0.68 0.43 0.74 -2.79 0.00 0.00 178.44 176.14 2k40 h PHE 49 N -1.27 0.82 -0.52 2.65 -1.00 -0.37 -0.64 116.94 116.60 2k40 h PHE 49 Ca -0.12 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 2k40 h PHE 49 Cb 0.91 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 2k40 h PHE 49 CO -0.00 0.48 0.14 1.96 -1.61 0.00 0.00 178.31 179.27 2k40 h GLN 50 N 0.86 0.83 -0.71 1.51 1.08 -0.91 0.52 115.11 118.28 2k40 h GLN 50 Ca 0.27 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2k40 h GLN 50 Cb -0.01 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 2k40 h GLN 50 CO -0.09 0.78 0.31 -0.91 -0.95 0.00 0.00 178.83 177.97 2k40 h ASN 51 N 0.72 0.95 0.59 1.46 2.35 -0.73 0.12 115.58 121.03 2k40 h ASN 51 Ca 0.16 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2k40 h ASN 51 Cb 0.32 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2k40 h ASN 51 CO -0.00 0.82 -0.43 0.03 -1.65 0.00 0.00 177.43 176.20 2k40 h ARG 52 N 1.02 -0.94 -0.62 0.81 -0.00 -0.71 -0.09 114.38 113.85 2k40 h ARG 52 Ca 0.24 0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.75 2k40 h ARG 52 Cb 0.15 0.21 -0.03 0.00 0.00 0.00 0.00 29.97 30.31 2k40 h ARG 52 CO -0.03 -0.63 0.25 -0.09 0.00 0.00 0.00 179.97 179.47 2k40 h ARG 53 N -0.97 0.91 -0.32 0.04 1.12 -0.84 -0.59 114.38 113.73 2k40 h ARG 53 Ca -0.08 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.63 2k40 h ARG 53 Cb 0.80 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 2k40 h ARG 53 CO 0.04 0.74 0.12 0.00 -3.11 0.00 0.00 179.97 177.76 2k40 h ALA 54 N 1.38 0.41 -0.13 2.80 0.00 -0.97 -3.25 119.26 119.49 2k40 h ALA 54 Ca 0.21 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2k40 h ALA 54 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k40 h ALA 54 CO -0.02 0.03 -0.52 -0.22 0.00 0.00 0.00 179.25 178.52 2k40 h LYS 55 N 0.36 0.37 -1.00 0.00 3.64 -0.52 -3.17 116.57 116.25 2k40 h LYS 55 Ca 0.10 -0.22 0.24 0.00 -1.27 0.00 0.00 60.65 59.50 2k40 h LYS 55 Cb 0.21 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 2k40 h LYS 55 CO -0.01 0.80 0.64 1.25 -2.27 0.00 0.00 179.45 179.87 2k40 h LEU 56 N 0.29 0.52 -0.33 5.20 6.46 -1.15 -1.06 115.31 125.24 2k40 h LEU 56 Ca 0.01 0.08 -0.19 0.00 -0.12 0.00 0.00 57.88 57.66 2k40 h LEU 56 Cb 1.01 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2k40 h LEU 56 CO 0.09 0.14 -0.82 0.50 -0.62 0.00 0.00 178.44 177.73 2k40 h LYS 57 N 0.48 0.30 -2.11 1.25 3.64 -1.65 -3.40 116.57 115.09 2k40 h LYS 57 Ca 0.57 -0.28 -0.57 0.00 -1.27 0.00 0.00 60.65 59.09 2k40 h LYS 57 Cb 1.30 0.07 -0.41 0.00 -0.41 0.00 0.00 32.23 32.78 2k40 h LYS 57 CO -0.30 0.97 -0.86 0.54 -2.27 0.00 0.00 179.45 177.53 2k40 n ARG 58 N -3.75 1.73 -3.49 1.90 1.74 -0.43 -5.06 116.66 109.30 2k40 n ARG 58 Ca -0.04 -3.99 -0.16 0.00 -0.77 0.00 0.00 57.85 52.88 2k40 n ARG 58 Cb 0.77 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k40 s SER 59 N -2.04 -0.63 0.52 0.55 0.15 -1.03 -4.84 113.70 106.38 2k40 s SER 59 Ca 0.39 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2k40 s SER 59 Cb 0.19 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 2k40 s SER 59 CO -0.07 -0.71 0.00 1.57 1.20 0.00 0.00 173.24 175.23 2k40 n HIS 60 N 0.55 -3.64 -0.22 3.44 -0.00 -1.26 -4.99 115.22 109.10 2k40 n HIS 60 Ca -0.18 1.95 0.00 0.00 -0.00 0.00 0.00 57.72 59.48 2k40 n HIS 60 Cb 0.59 -3.31 0.00 0.00 -0.00 0.00 0.00 29.99 27.27 2k40 n HIS 60 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2k40 n ARG 61 N -4.24 1.57 -2.06 1.57 3.00 -1.26 -5.11 116.66 110.12 2k40 n ARG 61 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.41 2k40 n ARG 61 Cb 0.65 -0.13 0.01 0.00 0.00 0.00 0.00 32.46 32.99 2k40 n ARG 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k40 s GLU 62 N 0.00 3.64 -0.43 -0.14 8.01 -1.26 -5.01 118.70 123.51 2k40 s GLU 62 Ca 0.00 2.02 0.02 0.00 0.01 0.00 0.00 54.97 57.02 2k40 s GLU 62 Cb 0.00 -2.47 0.13 0.00 -4.31 0.00 0.00 34.13 27.48 2k40 s GLU 62 CO 0.00 -0.72 0.22 0.45 0.01 0.00 0.00 175.26 175.22 2k40 s SER 63 N -1.06 3.85 -0.86 -0.19 0.15 -1.26 -5.07 113.70 109.26 2k40 s SER 63 Ca 0.64 -2.57 -0.25 0.00 0.70 0.00 0.00 55.95 54.47 2k40 s SER 63 Cb -0.35 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.79 2k40 s SER 63 CO 0.43 -0.28 1.87 -1.10 1.20 0.00 0.00 173.24 175.36 2k40 s GLN 64 N 0.40 2.67 0.19 5.44 -0.21 -1.26 -4.97 119.66 121.92 2k40 s GLN 64 Ca 0.16 -0.20 0.09 0.00 0.02 0.00 0.00 55.36 55.43 2k40 s GLN 64 Cb -0.24 -4.95 -0.04 0.00 1.00 0.00 0.00 33.01 28.78 2k40 s GLN 64 CO -0.02 -3.13 -0.06 0.12 -2.12 0.00 0.00 175.29 170.08 2k40 s PHE 65 N 9.35 2.69 0.00 0.91 5.36 -1.26 -5.13 117.98 129.90 2k40 s PHE 65 Ca 0.67 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 2k40 s PHE 65 Cb -0.07 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 2k40 s PHE 65 CO 0.03 0.53 0.00 -0.11 -1.46 0.00 0.00 175.22 174.21 2k40 n LEU 66 N -0.13 0.00 0.00 6.12 -0.00 -1.26 -5.33 117.00 116.39 2k40 n LEU 66 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2k40 n LEU 66 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2k40 n LEU 66 CO 0.37 0.00 0.00 0.80 -0.00 0.00 0.00 177.39 178.56