#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 -3.37 1.61 1.74 -1.26 -4.80 116.66 110.58 2k40 n ARG 2 Ca 0.00 0.44 -0.24 0.00 -0.77 0.00 0.00 57.85 57.29 2k40 n ARG 2 Cb 0.00 -1.33 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 2k40 n ARG 2 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k40 s ARG 3 N -2.36 0.71 1.12 5.56 0.52 -1.26 -5.16 118.95 118.09 2k40 s ARG 3 Ca 0.00 -1.42 -0.18 0.00 -0.52 0.00 0.00 55.73 53.61 2k40 s ARG 3 Cb 0.00 -1.09 0.26 0.00 0.52 0.00 0.00 34.95 34.63 2k40 s ARG 3 CO 0.00 -1.27 1.16 -1.25 0.02 0.00 0.00 175.30 173.97 2k40 s PRO 4 N 0.85 -0.61 0.33 3.54 0.04 -1.26 -4.99 135.00 132.90 2k40 s PRO 4 Ca 0.23 -0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.88 2k40 s PRO 4 Cb -0.11 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 2k40 s PRO 4 CO -0.07 -3.30 0.91 2.89 0.04 0.00 0.00 177.00 177.48 2k40 n ARG 5 N -4.45 1.15 -4.61 4.56 -4.01 -1.26 -4.98 116.66 103.06 2k40 n ARG 5 Ca 0.13 0.41 -0.25 0.00 -1.04 0.00 0.00 57.85 57.10 2k40 n ARG 5 Cb 0.59 -1.78 -0.14 0.00 -3.04 0.00 0.00 32.46 28.09 2k40 n ARG 5 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2k40 s THR 6 N -1.16 1.55 0.40 8.89 2.01 -1.26 -5.14 115.64 120.93 2k40 s THR 6 Ca 0.60 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2k40 s THR 6 Cb -0.67 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 2k40 s THR 6 CO 0.59 0.19 0.05 0.00 -0.69 0.00 0.00 174.62 174.76 2k40 s ALA 7 N -0.77 3.04 0.13 7.40 0.00 -1.26 -4.71 121.76 125.60 2k40 s ALA 7 Ca 0.06 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2k40 s ALA 7 Cb -0.08 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2k40 s ALA 7 CO 0.01 -0.21 0.05 1.19 0.00 0.00 0.00 175.76 176.81 2k40 n PHE 8 N -0.92 0.02 -1.91 0.00 3.72 -1.26 -5.14 117.46 111.97 2k40 n PHE 8 Ca -0.07 -0.88 -0.37 0.00 -0.05 0.00 0.00 57.45 56.07 2k40 n PHE 8 Cb 0.66 0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.25 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 -2.08 2.36 0.43 4.37 -1.32 -1.26 -4.87 115.64 113.27 2k40 s THR 9 Ca 0.07 0.25 0.18 0.00 -1.21 0.00 0.00 61.69 60.99 2k40 s THR 9 Cb 0.00 -3.12 0.38 0.00 -1.51 0.00 0.00 72.50 68.25 2k40 s THR 9 CO 0.05 -0.02 1.89 -0.61 -2.21 0.00 0.00 174.62 173.72 2k40 h GLN 10 N 1.23 0.36 -0.08 7.08 4.15 -2.00 -0.95 115.11 124.90 2k40 h GLN 10 Ca -0.51 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 58.91 2k40 h GLN 10 Cb 1.30 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 2k40 h GLN 10 CO 0.56 0.24 0.07 -0.97 -1.93 0.00 0.00 178.83 176.80 2k40 h ASN 11 N 0.37 0.00 0.00 -0.69 -0.00 -2.01 0.63 115.58 113.88 2k40 h ASN 11 Ca 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.68 2k40 h ASN 11 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.38 2k40 h ASN 11 CO -0.13 0.00 -0.27 -0.61 -0.00 0.00 0.00 177.43 176.42 2k40 h GLN 12 N 0.00 0.00 -0.72 6.67 5.75 -1.57 -3.38 115.11 121.85 2k40 h GLN 12 Ca 0.04 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.65 2k40 h GLN 12 Cb 0.18 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 2k40 h GLN 12 CO -0.00 0.65 0.33 0.82 -2.65 0.00 0.00 178.83 177.99 2k40 h ILE 13 N -1.00 0.78 -0.94 2.39 1.08 -0.72 -1.07 117.51 118.03 2k40 h ILE 13 Ca -0.06 -0.19 0.12 0.00 -0.39 0.00 0.00 64.86 64.34 2k40 h ILE 13 Cb 0.75 0.19 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 2k40 h ILE 13 CO -0.04 0.10 0.57 -0.33 -0.69 0.00 0.00 178.15 177.76 2k40 h GLU 14 N 0.54 0.86 -0.25 2.37 4.39 -1.11 0.31 114.58 121.70 2k40 h GLU 14 Ca 0.37 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 2k40 h GLU 14 Cb 0.46 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k40 h GLU 14 CO -0.32 0.57 0.03 0.28 -1.16 0.00 0.00 179.01 178.41 2k40 h VAL 15 N 0.89 1.23 -0.10 3.13 2.07 -1.37 -0.49 116.25 121.61 2k40 h VAL 15 Ca 0.48 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2k40 h VAL 15 Cb 0.51 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2k40 h VAL 15 CO -0.28 0.25 0.05 -0.07 0.02 0.00 0.00 177.57 177.54 2k40 h LEU 16 N 0.21 0.13 -0.20 2.57 4.07 -1.29 -2.36 115.31 118.43 2k40 h LEU 16 Ca 0.07 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.00 2k40 h LEU 16 Cb 0.34 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 2k40 h LEU 16 CO 0.01 0.18 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.04 2k40 h GLU 17 N 0.06 -0.18 0.00 1.13 4.39 -0.33 0.50 114.58 120.16 2k40 h GLU 17 Ca 0.03 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2k40 h GLU 17 Cb 0.08 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2k40 h GLU 17 CO -0.01 -0.12 -0.02 -0.91 -1.16 0.00 0.00 179.01 176.80 2k40 h ASN 18 N -0.19 0.00 0.32 1.42 2.35 -1.09 0.39 115.58 118.79 2k40 h ASN 18 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2k40 h ASN 18 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2k40 h ASN 18 CO -0.31 0.02 -0.16 0.58 -1.65 0.00 0.00 177.43 175.91 2k40 h VAL 19 N 0.00 0.62 -0.96 2.81 2.07 -1.08 -3.34 116.25 116.36 2k40 h VAL 19 Ca -0.00 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 67.01 2k40 h VAL 19 Cb 0.61 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 2k40 h VAL 19 CO 0.00 0.11 0.61 0.15 0.02 0.00 0.00 177.57 178.47 2k40 h PHE 20 N -0.84 1.01 -0.17 1.57 3.57 -0.33 0.29 116.94 122.05 2k40 h PHE 20 Ca -0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k40 h PHE 20 Cb 0.52 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2k40 h PHE 20 CO 0.03 0.36 0.23 -0.09 -2.23 0.00 0.00 178.31 176.61 2k40 h ARG 21 N 0.85 0.00 0.00 1.11 2.43 -1.07 -2.89 114.38 114.81 2k40 h ARG 21 Ca 0.49 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.54 2k40 h ARG 21 Cb 0.65 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2k40 h ARG 21 CO -0.26 0.00 -1.64 0.28 -1.51 0.00 0.00 179.97 176.84 2k40 n VAL 22 N -3.61 0.45 -3.62 0.20 0.31 -0.23 -4.90 118.33 106.94 2k40 n VAL 22 Ca 0.01 -0.37 -0.29 0.00 -0.01 0.00 0.00 64.34 63.68 2k40 n VAL 22 Cb 0.34 -0.37 -0.14 0.00 -0.91 0.00 0.00 33.84 32.76 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 -3.91 3.60 0.00 4.52 3.84 -0.08 -5.02 114.94 117.90 2k40 s ASN 23 Ca -0.05 -1.83 0.07 0.00 0.21 0.00 0.00 52.86 51.26 2k40 s ASN 23 Cb 0.05 -0.65 0.30 0.00 -0.55 0.00 0.00 41.25 40.40 2k40 s ASN 23 CO 0.44 -0.37 1.23 0.00 -2.79 0.00 0.00 177.10 175.60 2k40 s TYR 25 N -3.00 -1.42 0.75 0.00 6.14 -1.26 -4.98 117.35 113.58 2k40 s TYR 25 Ca 0.03 -0.06 -0.11 0.00 0.64 0.00 0.00 57.07 57.58 2k40 s TYR 25 Cb 0.05 0.17 0.04 0.00 0.42 0.00 0.00 41.96 42.63 2k40 s TYR 25 CO 0.13 -1.15 1.08 -1.25 0.64 0.00 0.00 175.55 175.00 2k40 s PRO 26 N 1.65 2.50 0.72 4.97 0.04 -1.25 -5.06 135.00 138.56 2k40 s PRO 26 Ca 0.18 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2k40 s PRO 26 Cb -0.06 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2k40 s PRO 26 CO -0.06 -1.41 1.09 0.20 0.04 0.00 0.00 177.00 176.86 2k40 s GLY 27 N -3.69 1.62 0.23 0.56 0.00 -1.26 -4.88 107.32 99.89 2k40 s GLY 27 Ca 0.60 -0.50 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 2k40 s GLY 27 CO 0.55 -0.11 1.81 -2.22 0.00 0.00 0.00 173.10 173.14 2k40 h ILE 28 N -0.70 0.95 0.00 0.90 1.08 -1.99 -1.82 117.51 115.92 2k40 h ILE 28 Ca -0.45 -0.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2k40 h ILE 28 Cb 1.28 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2k40 h ILE 28 CO 0.64 0.14 -0.01 -0.78 -0.69 0.00 0.00 178.15 177.45 2k40 h ASP 29 N 0.76 0.00 0.35 1.72 3.58 -1.98 0.21 116.42 121.07 2k40 h ASP 29 Ca 0.35 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.49 2k40 h ASP 29 Cb 0.26 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.33 2k40 h ASP 29 CO -0.21 0.01 -1.34 0.40 -2.88 0.00 0.00 179.24 175.22 2k40 h ILE 30 N 0.00 1.35 -0.44 2.25 1.08 -1.73 -0.65 117.51 119.37 2k40 h ILE 30 Ca -0.00 -2.75 -0.04 0.00 -0.39 0.00 0.00 64.86 61.68 2k40 h ILE 30 Cb 0.53 2.92 -0.02 0.00 -3.07 0.00 0.00 36.82 37.19 2k40 h ILE 30 CO 0.00 0.82 0.11 -0.07 -0.69 0.00 0.00 178.15 178.32 2k40 h LEU 31 N 0.16 0.66 0.00 1.44 3.38 -0.84 -1.68 115.31 118.43 2k40 h LEU 31 Ca -0.20 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.55 2k40 h LEU 31 Cb 2.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2k40 h LEU 31 CO 0.24 0.72 -0.05 -0.33 0.09 0.00 0.00 178.44 179.11 2k40 h GLU 32 N 0.57 -0.09 -0.83 1.13 4.39 -0.70 -1.26 114.58 117.80 2k40 h GLU 32 Ca 0.14 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.94 2k40 h GLU 32 Cb 0.31 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 2k40 h GLU 32 CO 0.00 -0.06 0.48 0.22 -1.16 0.00 0.00 179.01 178.48 2k40 h ASP 33 N -0.10 0.68 -0.27 1.42 3.58 -1.01 0.25 116.42 120.98 2k40 h ASP 33 Ca 0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2k40 h ASP 33 Cb 0.12 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k40 h ASP 33 CO -0.05 0.38 0.12 -0.07 -2.88 0.00 0.00 179.24 176.74 2k40 h LEU 34 N 0.79 0.36 0.09 2.28 3.38 -1.25 -2.08 115.31 118.88 2k40 h LEU 34 Ca 0.40 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2k40 h LEU 34 Cb 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2k40 h LEU 34 CO -0.25 0.40 -0.14 0.00 0.09 0.00 0.00 178.44 178.54 2k40 h ALA 35 N 0.97 -0.23 -0.64 1.53 0.00 -0.27 -1.56 119.26 119.06 2k40 h ALA 35 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2k40 h ALA 35 Cb 0.15 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2k40 h ALA 35 CO -0.01 -0.66 0.34 1.96 0.00 0.00 0.00 179.25 180.88 2k40 h GLN 36 N -0.28 0.60 0.00 0.00 4.20 -0.55 -1.36 115.11 117.73 2k40 h GLN 36 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k40 h GLN 36 Cb 0.29 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2k40 h GLN 36 CO -0.07 0.40 -1.42 1.63 -0.67 0.00 0.00 178.83 178.70 2k40 n LYS 37 N -4.83 0.63 0.00 1.46 5.02 -0.79 -4.07 118.16 115.59 2k40 n LYS 37 Ca 0.08 -0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 2k40 n LYS 37 Cb 0.19 -1.44 0.16 0.00 -0.02 0.00 0.00 35.03 33.92 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k40 n LEU 38 N -1.83 1.41 -3.27 -0.35 4.77 -0.59 -5.02 117.00 112.12 2k40 n LEU 38 Ca -0.00 -0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 55.41 2k40 n LEU 38 Cb 0.41 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2k40 n LEU 38 CO 0.40 0.27 0.13 0.59 -1.33 0.00 0.00 177.39 177.45 2k40 n ASN 39 N -0.53 -6.89 -3.49 -1.43 5.03 -1.06 -5.06 115.26 101.84 2k40 n ASN 39 Ca 0.10 -0.28 -0.22 0.00 0.87 0.00 0.00 54.58 55.05 2k40 n ASN 39 Cb 0.40 -4.14 -0.07 0.00 -1.02 0.00 0.00 39.78 34.95 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2k40 n LEU 40 N -1.82 0.00 -4.47 3.41 4.77 -0.54 -5.06 117.00 113.29 2k40 n LEU 40 Ca -0.08 -2.88 -0.32 0.00 -0.03 0.00 0.00 56.01 52.69 2k40 n LEU 40 Cb 0.56 1.12 -0.13 0.00 -2.33 0.00 0.00 43.42 42.64 2k40 n LEU 40 CO 0.56 -0.46 -0.46 -1.83 -1.33 0.00 0.00 177.39 173.87 2k40 s GLU 41 N -3.37 2.39 0.20 3.23 -1.05 -1.26 -4.51 118.70 114.33 2k40 s GLU 41 Ca 0.24 -0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 54.12 2k40 s GLU 41 Cb 0.01 -2.33 0.19 0.00 -0.44 0.00 0.00 34.13 31.56 2k40 s GLU 41 CO 0.17 0.60 1.60 1.25 0.95 0.00 0.00 175.26 179.84 2k40 h LEU 42 N 5.10 -0.87 -0.83 1.83 7.12 -1.94 -1.72 115.31 124.00 2k40 h LEU 42 Ca -0.47 0.21 0.05 0.00 0.13 0.00 0.00 57.88 57.80 2k40 h LEU 42 Cb 1.15 0.49 -0.06 0.00 -0.53 0.00 0.00 40.66 41.71 2k40 h LEU 42 CO 0.50 -0.26 0.52 0.44 -0.13 0.00 0.00 178.44 179.51 2k40 h ASP 43 N -0.09 0.83 -0.30 1.25 5.19 -1.97 0.13 116.42 121.47 2k40 h ASP 43 Ca 0.28 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.64 2k40 h ASP 43 Cb 0.52 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2k40 h ASP 43 CO -0.67 0.55 0.02 0.03 -3.12 0.00 0.00 179.24 176.04 2k40 h ARG 44 N 0.97 0.62 -0.15 3.56 3.08 -1.75 0.52 114.38 121.24 2k40 h ARG 44 Ca 0.35 -0.14 -0.21 0.00 0.07 0.00 0.00 59.98 60.06 2k40 h ARG 44 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2k40 h ARG 44 CO -0.15 0.63 -0.73 0.82 -1.07 0.00 0.00 179.97 179.46 2k40 h ILE 45 N 0.60 1.31 0.44 2.04 2.04 -0.87 0.71 117.51 123.77 2k40 h ILE 45 Ca 0.13 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2k40 h ILE 45 Cb 0.34 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2k40 h ILE 45 CO 0.01 0.62 -0.32 1.56 0.00 0.00 0.00 178.15 180.02 2k40 h GLN 46 N 0.47 -0.72 -0.80 2.37 1.08 -0.56 0.89 115.11 117.83 2k40 h GLN 46 Ca -0.04 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2k40 h GLN 46 Cb 1.34 0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.89 2k40 h GLN 46 CO 0.14 -0.48 0.53 0.82 -0.95 0.00 0.00 178.83 178.89 2k40 h ILE 47 N -0.75 1.16 0.35 2.54 5.03 -0.95 -0.56 117.51 124.33 2k40 h ILE 47 Ca -0.04 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.33 2k40 h ILE 47 Cb 0.64 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.45 2k40 h ILE 47 CO 0.01 0.19 -0.32 -0.25 -0.68 0.00 0.00 178.15 177.10 2k40 h TRP 48 N 1.03 -0.87 -0.60 1.37 7.01 -0.57 0.70 115.95 124.02 2k40 h TRP 48 Ca 0.31 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.38 2k40 h TRP 48 Cb -0.02 0.33 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 2k40 h TRP 48 CO -0.00 -0.43 0.28 0.74 -2.79 0.00 0.00 178.44 176.24 2k40 h PHE 49 N -0.66 0.51 -0.50 2.65 0.04 -0.52 -0.27 116.94 118.20 2k40 h PHE 49 Ca -0.05 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2k40 h PHE 49 Cb 0.56 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2k40 h PHE 49 CO -0.15 0.21 0.03 1.96 -0.60 0.00 0.00 178.31 179.75 2k40 h GLN 50 N 0.52 0.82 -0.29 1.51 4.20 -1.14 -1.07 115.11 119.67 2k40 h GLN 50 Ca 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2k40 h GLN 50 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2k40 h GLN 50 CO -0.22 0.80 0.14 -0.91 -0.67 0.00 0.00 178.83 177.97 2k40 h ASN 51 N 0.77 0.37 0.04 1.46 2.35 0.39 -0.19 115.58 120.77 2k40 h ASN 51 Ca 0.15 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2k40 h ASN 51 Cb 0.43 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2k40 h ASN 51 CO 0.02 0.38 -0.23 0.03 -1.65 0.00 0.00 177.43 175.98 2k40 h ARG 52 N 0.33 -0.37 -0.50 0.81 2.47 -0.85 0.12 114.38 116.39 2k40 h ARG 52 Ca 0.10 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2k40 h ARG 52 Cb 0.11 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 2k40 h ARG 52 CO -0.01 -0.25 0.32 -0.09 0.56 0.00 0.00 179.97 180.49 2k40 h ARG 53 N -0.39 0.67 -0.22 0.04 2.43 -1.13 0.32 114.38 116.11 2k40 h ARG 53 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2k40 h ARG 53 Cb 0.45 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2k40 h ARG 53 CO -0.18 0.47 0.09 0.00 -1.51 0.00 0.00 179.97 178.84 2k40 h ALA 54 N 1.16 0.25 -0.54 2.80 0.00 -0.86 -2.63 119.26 119.45 2k40 h ALA 54 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k40 h ALA 54 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k40 h ALA 54 CO -0.04 -0.33 0.23 -0.22 0.00 0.00 0.00 179.25 178.89 2k40 h LYS 55 N 0.20 0.79 0.00 0.00 3.11 -0.27 -0.50 116.57 119.91 2k40 h LYS 55 Ca 0.09 -0.14 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2k40 h LYS 55 Cb 0.04 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2k40 h LYS 55 CO -0.08 0.68 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.97 2k40 h LEU 56 N 0.72 0.00 0.15 5.20 4.07 -0.95 -3.23 115.31 121.27 2k40 h LEU 56 Ca 0.18 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.93 2k40 h LEU 56 Cb 0.17 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.94 2k40 h LEU 56 CO -0.02 0.20 -0.93 0.50 -1.08 0.00 0.00 178.44 177.12 2k40 h LYS 57 N 0.00 0.31 0.00 1.13 1.63 -1.01 -3.51 116.57 115.13 2k40 h LYS 57 Ca -0.00 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2k40 h LYS 57 Cb 0.37 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2k40 h LYS 57 CO 0.03 1.25 0.00 0.54 -3.45 0.00 0.00 179.45 177.82 2k40 n ARG 58 N -4.07 0.00 -1.62 1.90 1.74 -0.25 -4.59 116.66 109.77 2k40 n ARG 58 Ca -0.15 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.58 2k40 n ARG 58 Cb 0.85 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.36 2k40 n ARG 58 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2k40 s SER 59 N -4.00 4.58 0.45 0.55 0.01 -1.26 -5.04 113.70 109.00 2k40 s SER 59 Ca 0.00 2.29 -0.23 0.00 1.31 0.00 0.00 55.95 59.32 2k40 s SER 59 Cb 0.00 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2k40 s SER 59 CO 0.00 -2.00 1.17 -1.00 0.41 0.00 0.00 173.24 171.82 2k40 s HIS 60 N -1.97 2.89 -0.31 2.43 3.76 -1.26 -5.04 115.29 115.79 2k40 s HIS 60 Ca 0.73 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 57.19 2k40 s HIS 60 Cb -0.28 -3.39 0.14 0.00 1.11 0.00 0.00 32.58 30.17 2k40 s HIS 60 CO 0.42 -1.50 0.33 -0.98 -0.85 0.00 0.00 174.74 172.16 2k40 s ARG 61 N -2.66 0.40 -0.90 1.40 1.70 -1.26 -5.11 118.95 112.52 2k40 s ARG 61 Ca 0.63 -0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 55.41 2k40 s ARG 61 Cb -0.29 -0.61 0.03 0.00 -0.57 0.00 0.00 34.95 33.51 2k40 s ARG 61 CO 0.35 -1.06 1.47 -2.00 -1.08 0.00 0.00 175.30 172.98 2k40 s GLU 62 N 2.21 3.31 0.44 3.89 2.12 -1.26 -4.98 118.70 124.44 2k40 s GLU 62 Ca 0.11 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 54.81 2k40 s GLU 62 Cb -0.14 -4.92 -0.05 0.00 0.26 0.00 0.00 34.13 29.28 2k40 s GLU 62 CO -0.27 -2.34 0.01 -1.54 -0.54 0.00 0.00 175.26 170.59 2k40 s SER 63 N 5.09 3.87 0.26 -1.70 1.04 -1.26 -5.18 113.70 115.81 2k40 s SER 63 Ca 0.46 -1.48 0.06 0.00 0.48 0.00 0.00 55.95 55.46 2k40 s SER 63 Cb -0.04 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2k40 s SER 63 CO 0.00 -0.62 0.21 0.00 0.98 0.00 0.00 173.24 173.81 2k40 n GLN 64 N -1.06 0.35 -3.94 4.02 6.02 -1.26 -5.20 117.38 116.31 2k40 n GLN 64 Ca -0.10 -2.57 -0.09 0.00 -0.01 0.00 0.00 57.00 54.22 2k40 n GLN 64 Cb 0.67 2.03 -0.07 0.00 1.02 0.00 0.00 30.24 33.89 2k40 n GLN 64 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2k40 s PHE 65 N -3.01 0.36 0.14 1.08 5.36 -1.26 -5.19 117.98 115.46 2k40 s PHE 65 Ca 0.29 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2k40 s PHE 65 Cb 0.01 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 2k40 s PHE 65 CO 0.21 -0.66 0.11 -0.11 -1.46 0.00 0.00 175.22 173.30 2k40 n LEU 66 N -0.17 0.00 0.00 6.12 7.94 -1.26 -5.39 117.00 124.24 2k40 n LEU 66 Ca -0.09 -1.32 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 2k40 n LEU 66 Cb 0.63 0.66 0.00 0.00 0.53 0.00 0.00 43.42 45.24 2k40 n LEU 66 CO 0.24 -0.22 0.16 0.80 -1.11 0.00 0.00 177.39 177.27