#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 s ARG 2 N 0.00 1.36 0.00 1.61 0.52 -1.26 -4.98 118.95 116.20 2k40 s ARG 2 Ca 0.00 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 2k40 s ARG 2 Cb 0.00 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.63 2k40 s ARG 2 CO 0.00 0.00 0.00 2.89 0.02 0.00 0.00 175.30 178.21 2k40 n ARG 3 N -0.43 0.00 -0.58 3.54 1.85 -1.26 -4.81 116.66 114.97 2k40 n ARG 3 Ca -0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.74 2k40 n ARG 3 Cb 0.63 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.97 2k40 n ARG 3 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2k40 n PRO 4 N -0.36 1.15 -3.66 2.89 -0.04 -1.26 -4.71 135.00 129.02 2k40 n PRO 4 Ca 0.00 -0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 62.94 2k40 n PRO 4 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.94 0.75 -0.20 0.54 3.52 -1.26 -4.97 118.95 118.27 2k40 s ARG 5 Ca 0.25 0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 56.47 2k40 s ARG 5 Cb 0.12 0.36 0.09 0.00 -1.56 0.00 0.00 34.95 33.96 2k40 s ARG 5 CO 0.00 -0.13 0.18 0.99 -0.81 0.00 0.00 175.30 175.53 2k40 s THR 6 N -0.06 -0.24 0.28 4.11 2.01 -1.26 -5.05 115.64 115.42 2k40 s THR 6 Ca -0.03 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.87 2k40 s THR 6 Cb -0.04 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2k40 s THR 6 CO 0.03 -0.27 0.11 0.00 -0.69 0.00 0.00 174.62 173.79 2k40 s ALA 7 N 2.26 3.41 0.00 7.40 0.00 -1.26 -4.57 121.76 129.00 2k40 s ALA 7 Ca 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2k40 s ALA 7 Cb -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2k40 s ALA 7 CO -0.14 0.21 0.00 1.19 0.00 0.00 0.00 175.76 177.02 2k40 n PHE 8 N -1.07 0.00 -1.83 0.00 3.72 -1.26 -5.13 117.46 111.90 2k40 n PHE 8 Ca -0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 2k40 n PHE 8 Cb 0.59 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.74 2.15 0.36 4.37 -1.32 -1.26 -4.88 115.64 114.31 2k40 s THR 9 Ca 0.00 0.12 0.16 0.00 -1.21 0.00 0.00 61.69 60.77 2k40 s THR 9 Cb 0.00 -3.07 0.14 0.00 -1.51 0.00 0.00 72.50 68.07 2k40 s THR 9 CO 0.00 0.01 1.87 1.56 -2.21 0.00 0.00 174.62 175.85 2k40 h GLN 10 N 1.98 0.00 0.00 7.08 4.20 -2.00 -1.00 115.11 125.37 2k40 h GLN 10 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2k40 h GLN 10 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2k40 h GLN 10 CO 0.60 0.31 0.00 0.09 -0.67 0.00 0.00 178.83 179.15 2k40 n ASN 11 N -3.95 0.00 -0.10 1.46 5.03 -1.26 -0.57 115.26 115.88 2k40 n ASN 11 Ca -0.02 -0.27 -0.13 0.00 0.87 0.00 0.00 54.58 55.03 2k40 n ASN 11 Cb 0.38 -0.09 -0.09 0.00 -1.02 0.00 0.00 39.78 38.95 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2k40 n GLN 12 N -1.09 0.62 0.06 3.52 7.27 -0.44 -4.34 117.38 122.98 2k40 n GLN 12 Ca 0.09 0.10 -0.11 0.00 0.07 0.00 0.00 57.00 57.15 2k40 n GLN 12 Cb 0.07 -1.39 -0.05 0.00 2.41 0.00 0.00 30.24 31.28 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 0.00 0.54 0.00 1.69 1.08 -0.86 -2.66 117.51 117.30 2k40 h ILE 13 Ca -0.44 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 2k40 h ILE 13 Cb 1.72 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 2k40 h ILE 13 CO -0.06 0.00 -0.17 1.05 -0.69 0.00 0.00 178.15 178.29 2k40 h GLU 14 N -0.32 0.00 0.10 2.37 4.11 -1.09 0.22 114.58 119.97 2k40 h GLU 14 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 2k40 h GLU 14 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k40 h GLU 14 CO -0.17 0.17 -0.05 0.28 0.07 0.00 0.00 179.01 179.30 2k40 h VAL 15 N 0.00 1.06 -0.33 -1.06 2.07 -1.72 0.89 116.25 117.17 2k40 h VAL 15 Ca -0.00 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.89 2k40 h VAL 15 Cb 0.38 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2k40 h VAL 15 CO 0.02 0.16 0.18 -0.07 0.02 0.00 0.00 177.57 177.88 2k40 h LEU 16 N -0.44 0.29 -0.87 2.57 3.38 -1.08 -2.57 115.31 116.59 2k40 h LEU 16 Ca -0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2k40 h LEU 16 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2k40 h LEU 16 CO 0.02 0.21 -0.55 -0.08 0.09 0.00 0.00 178.44 178.13 2k40 h GLU 17 N 0.37 0.03 0.00 1.13 4.81 -0.61 -1.46 114.58 118.85 2k40 h GLU 17 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2k40 h GLU 17 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k40 h GLU 17 CO -0.07 0.58 0.00 -0.91 -0.73 0.00 0.00 179.01 177.88 2k40 h ASN 18 N 0.02 0.00 0.01 1.04 2.35 -0.62 0.15 115.58 118.54 2k40 h ASN 18 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k40 h ASN 18 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2k40 h ASN 18 CO 0.07 0.00 -0.01 0.58 -1.65 0.00 0.00 177.43 176.43 2k40 h VAL 19 N 0.00 1.40 -0.53 2.81 2.07 -0.94 -3.37 116.25 117.68 2k40 h VAL 19 Ca 0.00 -1.94 0.13 0.00 0.82 0.00 0.00 66.70 65.71 2k40 h VAL 19 Cb 0.27 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 2k40 h VAL 19 CO 0.00 0.45 0.37 0.15 0.02 0.00 0.00 177.57 178.56 2k40 h PHE 20 N -0.95 0.16 0.00 1.57 3.57 -0.84 0.85 116.94 121.29 2k40 h PHE 20 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k40 h PHE 20 Cb 0.76 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2k40 h PHE 20 CO 0.20 0.07 0.20 -2.13 -2.23 0.00 0.00 178.31 174.42 2k40 n ARG 21 N -4.43 0.04 0.05 1.11 3.00 0.49 -3.60 116.66 113.33 2k40 n ARG 21 Ca 0.09 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 2k40 n ARG 21 Cb 0.50 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2k40 n ARG 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2k40 n VAL 22 N -1.63 0.21 -3.35 5.15 0.31 -0.35 -5.02 118.33 113.65 2k40 n VAL 22 Ca -0.00 0.07 -0.46 0.00 -0.01 0.00 0.00 64.34 63.93 2k40 n VAL 22 Cb 0.21 -0.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 2k40 n VAL 22 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2k40 s ASN 23 N -5.17 6.56 0.47 4.52 -0.87 0.15 -4.94 114.94 115.66 2k40 s ASN 23 Ca 0.00 -2.53 0.19 0.00 -1.57 0.00 0.00 52.86 48.95 2k40 s ASN 23 Cb 0.00 -2.19 1.18 0.00 -0.02 0.00 0.00 41.25 40.23 2k40 s ASN 23 CO 0.00 -0.61 1.97 0.00 -2.57 0.00 0.00 177.10 175.89 2k40 s TYR 25 N -5.24 -0.11 1.01 0.00 2.02 -1.26 -4.96 117.35 108.81 2k40 s TYR 25 Ca -0.07 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 2k40 s TYR 25 Cb 0.20 -0.61 0.23 0.00 -0.40 0.00 0.00 41.96 41.38 2k40 s TYR 25 CO 0.75 -0.90 1.34 -1.25 -1.57 0.00 0.00 175.55 173.92 2k40 s PRO 26 N 2.00 0.21 0.79 -1.71 0.04 -1.25 -5.09 135.00 129.99 2k40 s PRO 26 Ca 0.11 -0.51 -0.11 0.00 0.04 0.00 0.00 61.00 60.53 2k40 s PRO 26 Cb -0.16 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.64 2k40 s PRO 26 CO -0.25 -2.69 1.08 0.20 0.04 0.00 0.00 177.00 175.38 2k40 s GLY 27 N -4.91 1.65 0.36 0.56 0.00 -1.26 -4.94 107.32 98.79 2k40 s GLY 27 Ca 0.77 0.05 0.13 0.00 0.00 0.00 0.00 44.72 45.66 2k40 s GLY 27 CO 0.54 0.43 1.80 -2.22 0.00 0.00 0.00 173.10 173.66 2k40 h ILE 28 N -1.11 1.27 -0.26 0.90 1.08 -1.99 -2.25 117.51 115.15 2k40 h ILE 28 Ca -0.46 -1.36 -0.05 0.00 -0.39 0.00 0.00 64.86 62.60 2k40 h ILE 28 Cb 1.25 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 2k40 h ILE 28 CO 0.55 0.39 -0.05 -2.24 -0.69 0.00 0.00 178.15 176.11 2k40 h ASP 29 N 0.00 0.38 -0.25 1.72 2.03 -1.97 0.20 116.42 118.53 2k40 h ASP 29 Ca -0.00 -0.07 -0.16 0.00 -0.73 0.00 0.00 57.03 56.06 2k40 h ASP 29 Cb 0.71 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 2k40 h ASP 29 CO 0.05 0.48 -0.49 0.40 -1.03 0.00 0.00 179.24 178.66 2k40 h ILE 30 N 0.39 1.30 -0.61 4.15 1.08 -1.81 0.37 117.51 122.37 2k40 h ILE 30 Ca 0.08 -1.69 -0.06 0.00 -0.39 0.00 0.00 64.86 62.81 2k40 h ILE 30 Cb 0.34 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 2k40 h ILE 30 CO 0.01 0.54 0.16 -0.07 -0.69 0.00 0.00 178.15 178.10 2k40 h LEU 31 N 0.50 0.92 0.00 1.44 3.38 -1.06 -0.53 115.31 119.97 2k40 h LEU 31 Ca 0.01 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2k40 h LEU 31 Cb 1.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k40 h LEU 31 CO 0.11 0.91 -0.03 -0.33 0.09 0.00 0.00 178.44 179.19 2k40 h GLU 32 N 0.89 -0.05 -0.91 1.13 4.39 -0.66 0.53 114.58 119.90 2k40 h GLU 32 Ca 0.19 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2k40 h GLU 32 Cb 0.34 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 2k40 h GLU 32 CO -0.00 -0.04 0.59 0.22 -1.16 0.00 0.00 179.01 178.63 2k40 h ASP 33 N -0.05 0.98 -0.09 1.42 3.58 -0.76 0.12 116.42 121.61 2k40 h ASP 33 Ca 0.01 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2k40 h ASP 33 Cb 0.07 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2k40 h ASP 33 CO -0.03 0.66 0.02 -0.07 -2.88 0.00 0.00 179.24 176.94 2k40 h LEU 34 N 1.14 0.15 -0.44 2.28 3.38 -1.08 -1.76 115.31 118.97 2k40 h LEU 34 Ca 0.37 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2k40 h LEU 34 Cb 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2k40 h LEU 34 CO -0.13 0.37 0.05 0.00 0.09 0.00 0.00 178.44 178.82 2k40 h ALA 35 N 0.78 0.46 0.60 1.53 0.00 -0.41 -2.23 119.26 120.00 2k40 h ALA 35 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2k40 h ALA 35 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k40 h ALA 35 CO 0.00 -0.35 -0.51 1.96 0.00 0.00 0.00 179.25 180.36 2k40 h GLN 36 N 0.17 -1.04 0.00 0.00 1.08 -0.81 -0.60 115.11 113.91 2k40 h GLN 36 Ca 0.22 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2k40 h GLN 36 Cb 0.30 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2k40 h GLN 36 CO -0.32 -0.69 0.00 1.63 -0.95 0.00 0.00 178.83 178.50 2k40 n LYS 37 N -5.56 0.21 0.00 1.46 5.02 -0.66 -2.75 118.16 115.87 2k40 n LYS 37 Ca -0.13 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2k40 n LYS 37 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.12 0.22 -3.59 -0.35 4.77 -0.86 -5.05 117.00 111.01 2k40 n LEU 38 Ca 0.05 -0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 55.38 2k40 n LEU 38 Cb 0.04 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2k40 n LEU 38 CO 0.05 0.05 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.79 2k40 n ASN 39 N -0.37 -5.49 -2.16 -1.43 2.85 -0.92 -5.06 115.26 102.68 2k40 n ASN 39 Ca 0.00 -0.58 -0.09 0.00 -0.11 0.00 0.00 54.58 53.80 2k40 n ASN 39 Cb 0.04 -2.24 -0.03 0.00 1.24 0.00 0.00 39.78 38.79 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k40 n LEU 40 N -1.77 0.00 -4.04 1.20 4.77 -0.28 -5.05 117.00 111.82 2k40 n LEU 40 Ca -0.20 -1.27 -0.12 0.00 -0.03 0.00 0.00 56.01 54.39 2k40 n LEU 40 Cb 0.66 0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 42.19 2k40 n LEU 40 CO 0.60 -0.20 -0.39 -1.83 -1.33 0.00 0.00 177.39 174.23 2k40 s GLU 41 N -2.59 0.47 0.21 3.23 -1.05 -1.26 -4.55 118.70 113.16 2k40 s GLU 41 Ca 0.12 -0.72 -0.19 0.00 -0.15 0.00 0.00 54.97 54.03 2k40 s GLU 41 Cb 0.01 -0.17 0.18 0.00 -0.44 0.00 0.00 34.13 33.71 2k40 s GLU 41 CO 0.09 0.02 1.57 1.25 0.95 0.00 0.00 175.26 179.13 2k40 h LEU 42 N 4.52 -1.35 -1.77 1.83 5.85 -1.97 -0.18 115.31 122.23 2k40 h LEU 42 Ca -0.35 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2k40 h LEU 42 Cb 1.20 0.69 -0.00 0.00 0.37 0.00 0.00 40.66 42.92 2k40 h LEU 42 CO 0.41 -0.30 -0.09 0.44 -0.34 0.00 0.00 178.44 178.56 2k40 h ASP 43 N -0.07 0.03 -0.04 1.25 3.32 -1.98 0.19 116.42 119.12 2k40 h ASP 43 Ca 0.29 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 2k40 h ASP 43 Cb 0.57 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2k40 h ASP 43 CO -0.86 0.12 -0.61 0.03 -1.72 0.00 0.00 179.24 176.20 2k40 h ARG 44 N 0.03 0.65 -0.11 3.56 -0.00 -1.46 0.68 114.38 117.72 2k40 h ARG 44 Ca 0.01 -0.44 -0.05 0.00 -0.50 0.00 0.00 59.98 58.99 2k40 h ARG 44 Cb 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.22 2k40 h ARG 44 CO 0.01 1.06 -0.14 0.82 0.00 0.00 0.00 179.97 181.73 2k40 h ILE 45 N 0.48 1.37 -0.25 2.04 1.08 -1.04 -0.87 117.51 120.32 2k40 h ILE 45 Ca -0.01 -1.34 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 2k40 h ILE 45 Cb 1.19 1.99 -0.05 0.00 -3.07 0.00 0.00 36.82 36.88 2k40 h ILE 45 CO 0.12 0.39 -0.09 1.56 -0.69 0.00 0.00 178.15 179.43 2k40 h GLN 46 N -0.12 -0.05 -0.77 2.37 1.08 -0.64 0.13 115.11 117.12 2k40 h GLN 46 Ca 0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2k40 h GLN 46 Cb 0.68 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 2k40 h GLN 46 CO 0.03 -0.03 0.36 0.82 -0.95 0.00 0.00 178.83 179.07 2k40 h ILE 47 N -0.05 1.24 0.52 2.54 2.04 -0.92 0.11 117.51 123.00 2k40 h ILE 47 Ca 0.13 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2k40 h ILE 47 Cb 0.24 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2k40 h ILE 47 CO -0.28 0.29 -0.38 -0.25 0.00 0.00 0.00 178.15 177.53 2k40 h TRP 48 N 1.09 -1.01 -0.28 1.37 7.01 -0.51 -0.56 115.95 123.07 2k40 h TRP 48 Ca 0.26 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.30 2k40 h TRP 48 Cb 0.12 0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 27.52 2k40 h TRP 48 CO 0.01 -0.55 0.06 0.74 -2.79 0.00 0.00 178.44 175.91 2k40 h PHE 49 N -0.88 0.10 -0.80 2.65 0.04 -0.53 -1.00 116.94 116.53 2k40 h PHE 49 Ca -0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2k40 h PHE 49 Cb 0.74 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 2k40 h PHE 49 CO -0.14 0.03 0.44 1.96 -0.60 0.00 0.00 178.31 180.00 2k40 h GLN 50 N 0.16 1.11 -0.59 1.51 1.08 -0.80 1.00 115.11 118.58 2k40 h GLN 50 Ca 0.13 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2k40 h GLN 50 Cb 0.13 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2k40 h GLN 50 CO -0.16 0.81 0.12 -0.91 -0.95 0.00 0.00 178.83 177.74 2k40 h ASN 51 N 1.10 0.92 0.58 1.46 2.35 -0.69 -0.18 115.58 121.13 2k40 h ASN 51 Ca 0.28 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2k40 h ASN 51 Cb 0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2k40 h ASN 51 CO -0.05 0.93 -0.51 0.03 -1.65 0.00 0.00 177.43 176.18 2k40 h ARG 52 N 0.87 -1.03 -0.35 0.81 -0.00 -0.80 -1.76 114.38 112.12 2k40 h ARG 52 Ca 0.18 0.07 0.07 0.00 -0.50 0.00 0.00 59.98 59.80 2k40 h ARG 52 Cb 0.38 0.23 -0.06 0.00 0.00 0.00 0.00 29.97 30.53 2k40 h ARG 52 CO 0.01 -0.69 -0.02 -0.09 0.00 0.00 0.00 179.97 179.18 2k40 h ARG 53 N -1.07 0.08 -0.90 0.04 1.12 -0.80 -1.41 114.38 111.44 2k40 h ARG 53 Ca -0.07 -0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.88 2k40 h ARG 53 Cb 0.91 -0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.78 2k40 h ARG 53 CO -0.03 0.05 0.55 0.00 -3.11 0.00 0.00 179.97 177.43 2k40 h ALA 54 N 1.32 1.28 -0.05 2.80 0.00 -0.99 -1.14 119.26 122.48 2k40 h ALA 54 Ca 0.17 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2k40 h ALA 54 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k40 h ALA 54 CO -0.30 0.22 -0.68 -0.22 0.00 0.00 0.00 179.25 178.26 2k40 h LYS 55 N 0.94 0.24 0.21 0.00 3.64 -0.46 0.16 116.57 121.31 2k40 h LYS 55 Ca 0.42 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2k40 h LYS 55 Cb 0.31 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2k40 h LYS 55 CO -0.22 0.84 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.62 2k40 h LEU 56 N 0.17 -0.24 -0.13 5.20 4.07 -1.07 -2.84 115.31 120.47 2k40 h LEU 56 Ca -0.02 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 57.81 2k40 h LEU 56 Cb 1.23 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.00 2k40 h LEU 56 CO 0.11 0.03 -0.04 0.50 -1.08 0.00 0.00 178.44 177.95 2k40 h LYS 57 N -0.52 -0.02 -2.82 1.13 3.11 -1.13 -1.61 116.57 114.72 2k40 h LYS 57 Ca -0.03 0.00 -0.75 0.00 -2.81 0.00 0.00 60.65 57.06 2k40 h LYS 57 Cb 0.39 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.48 2k40 h LYS 57 CO 0.05 -0.01 2.22 0.54 -2.81 0.00 0.00 179.45 179.44 2k40 n ARG 58 N -5.17 4.40 0.15 1.90 1.74 0.04 -4.72 116.66 114.99 2k40 n ARG 58 Ca -0.04 -3.56 -0.14 0.00 -0.77 0.00 0.00 57.85 53.35 2k40 n ARG 58 Cb 0.10 -2.69 -0.07 0.00 -1.02 0.00 0.00 32.46 28.78 2k40 n ARG 58 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2k40 h SER 59 N 4.88 -0.43 -0.05 0.55 0.02 -1.02 -3.44 113.55 114.05 2k40 h SER 59 Ca 0.61 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 2k40 h SER 59 Cb 0.39 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2k40 h SER 59 CO 1.50 -0.26 0.00 1.41 -1.14 0.00 0.00 176.83 178.34 2k40 n HIS 60 N -5.29 0.00 -4.79 3.45 8.25 -1.26 -5.05 115.22 110.52 2k40 n HIS 60 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.06 2k40 n HIS 60 Cb 0.21 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.19 2k40 n HIS 60 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2k40 s ARG 61 N 1.72 2.23 0.34 -0.41 3.52 -1.26 -5.13 118.95 119.96 2k40 s ARG 61 Ca 0.00 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 2k40 s ARG 61 Cb 0.00 -2.24 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2k40 s ARG 61 CO 0.00 0.57 0.49 -1.83 -0.81 0.00 0.00 175.30 173.72 2k40 s GLU 62 N -1.13 1.89 -1.48 5.12 -1.05 -1.26 -5.01 118.70 115.78 2k40 s GLU 62 Ca 0.13 -1.69 -0.13 0.00 -0.15 0.00 0.00 54.97 53.14 2k40 s GLU 62 Cb -0.10 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.14 2k40 s GLU 62 CO 0.03 -0.79 0.73 0.45 0.95 0.00 0.00 175.26 176.63 2k40 n SER 63 N -1.30 -4.08 -3.73 0.83 2.88 -1.26 -4.96 113.62 102.00 2k40 n SER 63 Ca -0.00 -0.67 -0.13 0.00 -1.33 0.00 0.00 58.87 56.74 2k40 n SER 63 Cb 0.62 -3.32 -0.10 0.00 -0.75 0.00 0.00 64.21 60.66 2k40 n SER 63 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k40 s GLN 64 N -6.43 0.50 0.38 -1.46 0.74 -1.26 -5.18 119.66 106.95 2k40 s GLN 64 Ca 0.57 0.54 0.08 0.00 0.05 0.00 0.00 55.36 56.60 2k40 s GLN 64 Cb -0.30 0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.99 2k40 s GLN 64 CO 0.71 -0.07 0.01 0.12 -0.55 0.00 0.00 175.29 175.50 2k40 s PHE 65 N 0.12 2.51 -0.21 1.67 5.36 -1.26 -5.16 117.98 121.01 2k40 s PHE 65 Ca -0.01 -0.56 -0.10 0.00 -0.96 0.00 0.00 56.93 55.30 2k40 s PHE 65 Cb -0.03 -1.63 0.08 0.00 -0.34 0.00 0.00 43.02 41.10 2k40 s PHE 65 CO 0.01 0.46 0.49 -1.17 -1.46 0.00 0.00 175.22 173.54 2k40 s LEU 66 N -3.71 -0.47 0.00 6.12 2.96 -1.26 -5.26 118.68 117.06 2k40 s LEU 66 Ca 0.35 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 2k40 s LEU 66 Cb 0.05 1.63 0.00 0.00 0.50 0.00 0.00 46.19 48.37 2k40 s LEU 66 CO 0.19 -0.21 0.00 0.23 -1.32 0.00 0.00 176.35 175.23