#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 -2.24 1.61 1.74 -1.26 -5.15 116.66 111.36 2k40 n ARG 2 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2k40 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -2.00 3.45 -0.16 5.56 3.00 -1.26 -5.00 118.95 122.55 2k40 s ARG 3 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 55.73 57.12 2k40 s ARG 3 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 34.95 32.78 2k40 s ARG 3 CO 0.00 -0.78 1.82 -1.25 0.00 0.00 0.00 175.30 175.09 2k40 s PRO 4 N -3.11 3.73 -0.11 3.54 0.04 -1.26 -4.99 135.00 132.85 2k40 s PRO 4 Ca 0.70 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2k40 s PRO 4 Cb -0.26 -4.14 0.07 0.00 0.04 0.00 0.00 34.50 30.22 2k40 s PRO 4 CO 0.30 -1.39 0.69 0.50 0.04 0.00 0.00 177.00 177.14 2k40 s ARG 5 N 4.98 1.00 0.00 4.56 3.52 -1.26 -5.06 118.95 126.69 2k40 s ARG 5 Ca 0.81 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 2k40 s ARG 5 Cb -0.31 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2k40 s ARG 5 CO 0.33 -0.27 0.00 2.41 -0.81 0.00 0.00 175.30 176.96 2k40 n THR 6 N 1.38 0.00 -2.04 4.11 -1.04 -1.26 -4.96 114.28 110.47 2k40 n THR 6 Ca -0.18 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.52 2k40 n THR 6 Cb 0.56 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.03 2k40 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k40 s ALA 7 N -0.06 1.84 1.00 2.41 0.00 -1.26 -4.89 121.76 120.79 2k40 s ALA 7 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2k40 s ALA 7 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.66 2k40 s ALA 7 CO 0.00 -4.49 0.00 1.19 0.00 0.00 0.00 175.76 172.46 2k40 n PHE 8 N 13.58 -2.10 -2.41 0.00 3.72 -1.26 -5.05 117.46 123.94 2k40 n PHE 8 Ca 0.33 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.37 2k40 n PHE 8 Cb 0.49 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.67 3.45 0.35 4.37 -1.32 -1.26 -4.89 115.64 115.66 2k40 s THR 9 Ca 0.00 1.05 0.05 0.00 -1.21 0.00 0.00 61.69 61.58 2k40 s THR 9 Cb 0.00 -3.51 0.29 0.00 -1.51 0.00 0.00 72.50 67.78 2k40 s THR 9 CO 0.00 -0.06 1.94 -0.61 -2.21 0.00 0.00 174.62 173.68 2k40 h GLN 10 N 2.05 0.78 0.00 7.08 4.15 -1.98 -0.74 115.11 126.45 2k40 h GLN 10 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 2k40 h GLN 10 Cb 1.23 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.75 2k40 h GLN 10 CO 0.60 0.51 0.00 -1.71 -1.93 0.00 0.00 178.83 176.31 2k40 n ASN 11 N -4.49 0.00 -0.11 -0.69 2.85 -1.26 -0.64 115.26 110.92 2k40 n ASN 11 Ca 0.12 0.43 -0.24 0.00 -0.11 0.00 0.00 54.58 54.78 2k40 n ASN 11 Cb 0.26 -0.45 -0.11 0.00 1.24 0.00 0.00 39.78 40.71 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 -1.45 0.62 -0.28 1.20 7.27 -0.38 -4.48 117.38 119.89 2k40 n GLN 12 Ca 0.02 0.31 0.05 0.00 0.07 0.00 0.00 57.00 57.45 2k40 n GLN 12 Cb 0.09 -1.59 0.20 0.00 2.41 0.00 0.00 30.24 31.34 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 -0.60 0.75 -0.68 1.69 1.08 -0.28 -2.02 117.51 117.45 2k40 h ILE 13 Ca -0.55 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2k40 h ILE 13 Cb 1.68 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2k40 h ILE 13 CO -0.22 0.11 0.43 -0.33 -0.69 0.00 0.00 178.15 177.45 2k40 h GLU 14 N 0.59 0.90 -0.09 2.37 4.39 -1.13 0.30 114.58 121.90 2k40 h GLU 14 Ca 0.43 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 2k40 h GLU 14 Cb 0.57 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2k40 h GLU 14 CO -0.35 0.61 -0.03 0.28 -1.16 0.00 0.00 179.01 178.36 2k40 h VAL 15 N 0.92 1.31 -0.34 3.13 2.07 -1.61 -0.36 116.25 121.37 2k40 h VAL 15 Ca 0.25 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2k40 h VAL 15 Cb -0.08 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2k40 h VAL 15 CO -0.05 0.28 0.17 -0.07 0.02 0.00 0.00 177.57 177.92 2k40 h LEU 16 N -0.16 0.43 -0.76 2.57 3.38 -1.08 -2.19 115.31 117.51 2k40 h LEU 16 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2k40 h LEU 16 Cb 0.46 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2k40 h LEU 16 CO 0.01 0.42 0.42 -0.33 0.09 0.00 0.00 178.44 179.04 2k40 h GLU 17 N 0.41 1.06 -0.81 1.13 5.08 -0.46 -1.16 114.58 119.82 2k40 h GLU 17 Ca 0.12 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2k40 h GLU 17 Cb 0.09 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 2k40 h GLU 17 CO -0.02 0.78 0.49 -0.91 -1.00 0.00 0.00 179.01 178.36 2k40 h ASN 18 N 1.05 0.76 0.02 1.42 2.35 -0.80 0.19 115.58 120.57 2k40 h ASN 18 Ca 0.27 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2k40 h ASN 18 Cb 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2k40 h ASN 18 CO -0.04 0.48 -0.01 0.58 -1.65 0.00 0.00 177.43 176.79 2k40 h VAL 19 N 0.89 1.14 -0.53 2.81 2.07 -1.20 -3.20 116.25 118.23 2k40 h VAL 19 Ca 0.36 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2k40 h VAL 19 Cb 0.20 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2k40 h VAL 19 CO -0.18 0.12 0.35 0.15 0.02 0.00 0.00 177.57 178.03 2k40 h PHE 20 N -0.23 0.48 -0.03 1.57 3.57 -0.83 -0.55 116.94 120.93 2k40 h PHE 20 Ca -0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2k40 h PHE 20 Cb 0.22 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2k40 h PHE 20 CO -0.01 0.26 -0.17 -0.09 -2.23 0.00 0.00 178.31 176.08 2k40 h ARG 21 N 0.48 -0.25 -0.19 1.11 9.65 -0.63 -3.07 114.38 121.48 2k40 h ARG 21 Ca 0.23 0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.97 2k40 h ARG 21 Cb 0.30 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2k40 h ARG 21 CO -0.06 -0.17 -0.48 0.28 2.80 0.00 0.00 179.97 182.34 2k40 h VAL 22 N -0.26 1.32 -2.47 0.20 2.07 -1.43 -3.44 116.25 112.24 2k40 h VAL 22 Ca 0.06 -1.72 -0.28 0.00 0.82 0.00 0.00 66.70 65.58 2k40 h VAL 22 Cb 0.34 1.90 -0.35 0.00 -1.52 0.00 0.00 31.29 31.67 2k40 h VAL 22 CO -0.18 0.54 -0.60 0.21 0.02 0.00 0.00 177.57 177.56 2k40 s ASN 23 N -6.74 1.12 0.60 0.57 2.47 -0.26 -5.04 114.94 107.67 2k40 s ASN 23 Ca -0.12 -0.08 0.31 0.00 0.42 0.00 0.00 52.86 53.38 2k40 s ASN 23 Cb 0.08 0.51 1.76 0.00 -1.45 0.00 0.00 41.25 42.15 2k40 s ASN 23 CO 0.85 -0.31 2.15 0.00 -3.72 0.00 0.00 177.10 176.06 2k40 s TYR 25 N -4.56 1.36 1.20 0.00 2.02 -1.26 -4.88 117.35 111.24 2k40 s TYR 25 Ca -0.05 -1.92 -0.19 0.00 -0.37 0.00 0.00 57.07 54.54 2k40 s TYR 25 Cb 0.15 -1.43 0.29 0.00 -0.40 0.00 0.00 41.96 40.56 2k40 s TYR 25 CO 0.52 -0.82 1.12 -1.25 -1.57 0.00 0.00 175.55 173.55 2k40 s PRO 26 N 0.92 -1.21 0.49 -1.71 0.04 -1.26 -5.12 135.00 127.16 2k40 s PRO 26 Ca 0.16 -0.10 0.05 0.00 0.04 0.00 0.00 61.00 61.15 2k40 s PRO 26 Cb -0.22 -1.60 0.05 0.00 0.04 0.00 0.00 34.50 32.76 2k40 s PRO 26 CO -0.05 -3.70 0.38 0.41 0.04 0.00 0.00 177.00 174.08 2k40 n GLY 27 N -1.06 2.74 0.13 0.56 0.00 -1.26 -5.01 105.19 101.30 2k40 n GLY 27 Ca 0.13 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 2k40 n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k40 h ILE 28 N 0.63 0.80 0.00 -0.61 1.08 -1.99 -2.15 117.51 115.27 2k40 h ILE 28 Ca -0.31 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 2k40 h ILE 28 Cb 1.14 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 2k40 h ILE 28 CO 0.48 0.00 -0.18 0.44 -0.69 0.00 0.00 178.15 178.20 2k40 h ASP 29 N -0.22 0.00 -0.16 1.72 5.19 -1.97 0.27 116.42 121.24 2k40 h ASP 29 Ca -0.01 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.28 2k40 h ASP 29 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2k40 h ASP 29 CO 0.00 0.18 -0.37 0.40 -3.12 0.00 0.00 179.24 176.34 2k40 h ILE 30 N 0.00 1.35 -0.49 0.35 2.04 -1.92 0.18 117.51 119.01 2k40 h ILE 30 Ca -0.00 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.20 2k40 h ILE 30 Cb 0.33 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2k40 h ILE 30 CO 0.02 0.49 0.20 -0.07 0.00 0.00 0.00 178.15 178.79 2k40 h LEU 31 N 0.18 0.67 -0.85 1.44 3.38 -0.70 -1.30 115.31 118.13 2k40 h LEU 31 Ca 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2k40 h LEU 31 Cb 0.97 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2k40 h LEU 31 CO 0.08 0.66 -0.21 -0.33 0.09 0.00 0.00 178.44 178.73 2k40 h GLU 32 N 0.65 0.62 -0.24 1.13 5.08 -0.52 -0.42 114.58 120.88 2k40 h GLU 32 Ca 0.16 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2k40 h GLU 32 Cb 0.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k40 h GLU 32 CO -0.01 0.79 0.12 0.22 -1.00 0.00 0.00 179.01 179.13 2k40 h ASP 33 N 0.55 0.30 -0.23 1.42 3.58 -0.57 0.86 116.42 122.33 2k40 h ASP 33 Ca 0.08 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.45 2k40 h ASP 33 Cb 0.67 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2k40 h ASP 33 CO 0.05 0.32 0.08 -0.07 -2.88 0.00 0.00 179.24 176.74 2k40 h LEU 34 N 0.26 0.10 0.12 2.28 3.38 -1.14 -0.86 115.31 119.45 2k40 h LEU 34 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2k40 h LEU 34 Cb 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2k40 h LEU 34 CO -0.01 0.09 -0.34 0.00 0.09 0.00 0.00 178.44 178.26 2k40 h ALA 35 N 1.14 -0.59 -0.23 1.53 0.00 -0.98 -0.45 119.26 119.68 2k40 h ALA 35 Ca 0.10 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2k40 h ALA 35 Cb 0.06 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k40 h ALA 35 CO -0.10 -0.89 0.36 0.37 0.00 0.00 0.00 179.25 178.99 2k40 h GLN 36 N -0.57 0.00 -0.01 0.00 5.75 -0.58 -0.80 115.11 118.90 2k40 h GLN 36 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2k40 h GLN 36 Cb 0.60 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2k40 h GLN 36 CO -0.21 0.00 -0.17 1.63 -2.65 0.00 0.00 178.83 177.44 2k40 n LYS 37 N -3.44 1.49 0.00 1.69 4.76 -0.35 -4.74 118.16 117.58 2k40 n LYS 37 Ca 0.03 -1.01 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 2k40 n LYS 37 Cb 0.49 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k40 n LEU 38 N 0.25 0.00 -1.27 -0.35 4.77 -0.23 -5.05 117.00 115.12 2k40 n LEU 38 Ca 0.07 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2k40 n LEU 38 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2k40 n LEU 38 CO 0.14 0.00 -0.14 -3.20 -1.33 0.00 0.00 177.39 172.85 2k40 n ASN 39 N -0.32 -3.76 -4.98 -1.43 4.05 -0.38 -5.04 115.26 103.41 2k40 n ASN 39 Ca 0.00 0.01 -0.21 0.00 0.45 0.00 0.00 54.58 54.84 2k40 n ASN 39 Cb 0.00 -2.93 0.01 0.00 1.23 0.00 0.00 39.78 38.10 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2k40 s LEU 40 N -3.24 3.64 0.35 1.20 1.43 -1.26 -5.11 118.68 115.68 2k40 s LEU 40 Ca 0.00 -0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2k40 s LEU 40 Cb 0.00 -2.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 2k40 s LEU 40 CO 0.00 -0.75 0.69 -1.83 0.23 0.00 0.00 176.35 174.68 2k40 s GLU 41 N -4.48 3.78 0.32 1.70 1.03 -1.26 -4.61 118.70 115.18 2k40 s GLU 41 Ca 0.51 0.37 0.08 0.00 0.03 0.00 0.00 54.97 55.96 2k40 s GLU 41 Cb -0.10 -2.49 0.82 0.00 -0.80 0.00 0.00 34.13 31.56 2k40 s GLU 41 CO 0.36 0.09 1.78 1.25 -1.33 0.00 0.00 175.26 177.41 2k40 h LEU 42 N 1.65 0.71 -0.92 1.83 6.46 -1.98 -1.49 115.31 121.58 2k40 h LEU 42 Ca -0.47 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 2k40 h LEU 42 Cb 1.18 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.01 2k40 h LEU 42 CO 0.65 0.24 0.58 0.44 -0.62 0.00 0.00 178.44 179.73 2k40 h ASP 43 N 0.69 0.91 0.75 1.25 5.19 -1.98 0.25 116.42 123.48 2k40 h ASP 43 Ca 0.57 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.84 2k40 h ASP 43 Cb 0.99 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 2k40 h ASP 43 CO -0.36 0.57 -0.75 -0.09 -3.12 0.00 0.00 179.24 175.50 2k40 h ARG 44 N 1.04 0.00 -0.12 3.56 2.43 -1.68 -0.80 114.38 118.81 2k40 h ARG 44 Ca 0.40 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.34 2k40 h ARG 44 Cb 0.19 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2k40 h ARG 44 CO -0.18 0.75 -0.82 0.82 -1.51 0.00 0.00 179.97 179.03 2k40 h ILE 45 N 0.00 1.29 -0.01 1.20 2.04 -1.20 -1.59 117.51 119.24 2k40 h ILE 45 Ca -0.01 -2.04 0.03 0.00 1.00 0.00 0.00 64.86 63.84 2k40 h ILE 45 Cb 1.33 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 39.41 2k40 h ILE 45 CO 0.10 0.64 -0.40 1.56 0.00 0.00 0.00 178.15 180.05 2k40 h GLN 46 N 0.49 -0.53 -0.55 2.37 4.20 -0.41 0.31 115.11 120.99 2k40 h GLN 46 Ca -0.06 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2k40 h GLN 46 Cb 1.45 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 2k40 h GLN 46 CO 0.16 -0.35 0.36 0.82 -0.67 0.00 0.00 178.83 179.16 2k40 h ILE 47 N -0.55 1.04 0.71 2.54 2.04 -1.18 0.13 117.51 122.25 2k40 h ILE 47 Ca 0.05 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2k40 h ILE 47 Cb 0.63 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2k40 h ILE 47 CO -0.31 0.11 -0.34 -0.25 0.00 0.00 0.00 178.15 177.36 2k40 h TRP 48 N 0.60 -0.88 -0.74 1.37 7.01 -0.69 -1.12 115.95 121.50 2k40 h TRP 48 Ca 0.23 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.23 2k40 h TRP 48 Cb 0.14 0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 2k40 h TRP 48 CO -0.00 -0.53 0.47 0.74 -2.79 0.00 0.00 178.44 176.33 2k40 h PHE 49 N -1.05 0.88 0.00 2.65 0.04 -0.38 -0.40 116.94 118.69 2k40 h PHE 49 Ca -0.10 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.72 2k40 h PHE 49 Cb 0.75 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 2k40 h PHE 49 CO -0.01 0.51 -0.20 1.96 -0.60 0.00 0.00 178.31 179.97 2k40 h GLN 50 N 0.92 -0.31 -0.14 1.51 4.20 -0.80 -0.48 115.11 120.00 2k40 h GLN 50 Ca 0.30 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2k40 h GLN 50 Cb 0.01 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2k40 h GLN 50 CO -0.11 -0.21 0.07 -0.91 -0.67 0.00 0.00 178.83 177.01 2k40 h ASN 51 N -0.32 0.18 -0.22 1.46 2.35 -0.64 0.91 115.58 119.31 2k40 h ASN 51 Ca 0.06 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2k40 h ASN 51 Cb 0.39 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2k40 h ASN 51 CO -0.18 0.23 -0.10 0.03 -1.65 0.00 0.00 177.43 175.76 2k40 h ARG 52 N 0.12 0.60 -0.20 0.81 2.47 -0.99 -2.27 114.38 114.91 2k40 h ARG 52 Ca 0.05 -0.17 -0.13 0.00 -1.26 0.00 0.00 59.98 58.47 2k40 h ARG 52 Cb 0.09 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2k40 h ARG 52 CO -0.01 0.69 -0.37 -0.09 0.56 0.00 0.00 179.97 180.75 2k40 h ARG 53 N 0.55 0.60 -0.69 0.04 1.12 -1.02 -1.87 114.38 113.12 2k40 h ARG 53 Ca 0.10 -0.38 0.09 0.00 -1.11 0.00 0.00 59.98 58.68 2k40 h ARG 53 Cb 0.50 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 2k40 h ARG 53 CO 0.03 1.00 0.46 0.00 -3.11 0.00 0.00 179.97 178.34 2k40 h ALA 54 N 0.60 1.87 0.00 2.80 0.00 -0.45 -3.08 119.26 121.00 2k40 h ALA 54 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k40 h ALA 54 Cb 0.97 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2k40 h ALA 54 CO 0.08 -0.01 -0.43 0.36 0.00 0.00 0.00 179.25 179.25 2k40 n LYS 55 N -4.49 1.13 -0.24 0.00 2.85 -0.89 -4.94 118.16 111.60 2k40 n LYS 55 Ca 0.11 -2.70 0.09 0.00 -1.05 0.00 0.00 58.31 54.76 2k40 n LYS 55 Cb 0.33 -1.25 0.18 0.00 -0.65 0.00 0.00 35.03 33.64 2k40 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2k40 n LEU 56 N -0.88 -0.11 -0.02 -5.58 7.94 -0.70 -1.03 117.00 116.62 2k40 n LEU 56 Ca 0.15 1.15 0.11 0.00 -1.11 0.00 0.00 56.01 56.30 2k40 n LEU 56 Cb 0.74 -0.41 0.03 0.00 0.53 0.00 0.00 43.42 44.31 2k40 n LEU 56 CO -0.02 -1.15 0.15 1.17 -1.11 0.00 0.00 177.39 176.43 2k40 n LYS 57 N -4.94 0.06 -4.03 1.96 4.81 -1.26 -4.90 118.16 109.85 2k40 n LYS 57 Ca 0.15 -0.04 -0.31 0.00 -0.87 0.00 0.00 58.31 57.24 2k40 n LYS 57 Cb 0.49 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.88 2k40 n LYS 57 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2k40 s ARG 58 N -2.97 2.23 0.20 1.64 1.70 -0.20 -5.07 118.95 116.49 2k40 s ARG 58 Ca 0.10 -0.92 -0.07 0.00 -0.47 0.00 0.00 55.73 54.37 2k40 s ARG 58 Cb 0.17 -2.52 0.03 0.00 -0.57 0.00 0.00 34.95 32.06 2k40 s ARG 58 CO 0.79 -0.41 0.39 0.45 -1.08 0.00 0.00 175.30 175.44 2k40 n SER 59 N 4.63 -1.12 0.28 -2.89 2.88 -1.26 -4.88 113.62 111.27 2k40 n SER 59 Ca -0.16 -1.86 0.18 0.00 -1.33 0.00 0.00 58.87 55.70 2k40 n SER 59 Cb 0.46 1.89 0.96 0.00 -0.75 0.00 0.00 64.21 66.76 2k40 n SER 59 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2k40 h HIS 60 N 1.52 0.00 -3.10 0.66 3.86 -2.00 -3.48 115.15 112.61 2k40 h HIS 60 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2k40 h HIS 60 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2k40 h HIS 60 CO 0.00 0.00 -0.30 -2.13 0.86 0.00 0.00 177.93 176.36 2k40 n ARG 61 N -3.57 -0.24 0.00 2.45 0.63 -1.26 -4.98 116.66 109.70 2k40 n ARG 61 Ca -0.01 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2k40 n ARG 61 Cb 0.18 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 32.70 2k40 n ARG 61 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2k40 n GLU 62 N 1.07 4.28 -4.22 -0.14 2.13 -1.26 -5.09 120.64 117.41 2k40 n GLU 62 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2k40 n GLU 62 Cb 0.15 -0.44 -0.09 0.00 0.27 0.00 0.00 31.44 31.33 2k40 n GLU 62 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k40 s SER 63 N -0.83 0.79 0.06 4.31 0.15 -1.26 -5.19 113.70 111.73 2k40 s SER 63 Ca 0.00 -1.53 0.02 0.00 0.70 0.00 0.00 55.95 55.14 2k40 s SER 63 Cb 0.00 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2k40 s SER 63 CO 0.00 -0.96 -0.07 0.00 1.20 0.00 0.00 173.24 173.41 2k40 s GLN 64 N -3.83 0.60 0.16 5.44 -2.07 -1.26 -5.18 119.66 113.52 2k40 s GLN 64 Ca 0.39 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 53.00 2k40 s GLN 64 Cb 0.05 -0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.69 2k40 s GLN 64 CO 0.19 0.02 0.07 0.12 -1.32 0.00 0.00 175.29 174.37 2k40 s PHE 65 N -2.07 1.00 0.00 9.60 5.36 -1.26 -5.18 117.98 125.43 2k40 s PHE 65 Ca -0.04 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.69 2k40 s PHE 65 Cb -0.05 -0.55 0.00 0.00 -0.34 0.00 0.00 43.02 42.08 2k40 s PHE 65 CO -0.01 -0.50 0.00 1.47 -1.46 0.00 0.00 175.22 174.72 2k40 n LEU 66 N -0.17 0.00 -0.19 6.12 -0.00 -1.26 -5.30 117.00 116.20 2k40 n LEU 66 Ca -0.04 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.00 2k40 n LEU 66 Cb 0.64 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.08 2k40 n LEU 66 CO 0.32 0.00 0.33 0.80 -0.00 0.00 0.00 177.39 178.84