#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 -1.63 1.61 0.63 -1.26 -5.16 116.66 110.85 2k40 n ARG 2 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 2k40 n ARG 2 Cb 0.00 0.00 0.05 0.00 0.45 0.00 0.00 32.46 32.96 2k40 n ARG 2 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2k40 s ARG 3 N -0.00 2.89 0.00 -0.14 0.52 -1.26 -4.94 118.95 116.02 2k40 s ARG 3 Ca 0.00 1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 2k40 s ARG 3 Cb 0.00 -1.98 -0.18 0.00 0.52 0.00 0.00 34.95 33.31 2k40 s ARG 3 CO 0.00 -1.14 3.05 -0.35 0.02 0.00 0.00 175.30 176.87 2k40 n PRO 4 N -2.92 1.64 -3.40 3.54 -0.04 -1.26 -4.33 135.00 128.23 2k40 n PRO 4 Ca 0.08 -0.68 -0.25 0.00 -0.04 0.00 0.00 63.50 62.62 2k40 n PRO 4 Cb 0.53 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.77 0.64 0.42 0.54 3.52 -1.26 -5.01 118.95 118.57 2k40 s ARG 5 Ca 0.45 -1.29 0.23 0.00 -0.13 0.00 0.00 55.73 54.99 2k40 s ARG 5 Cb 0.22 -1.11 0.70 0.00 -1.56 0.00 0.00 34.95 33.20 2k40 s ARG 5 CO 0.00 -1.24 1.73 1.15 -0.81 0.00 0.00 175.30 176.14 2k40 h THR 6 N 4.96 0.48 -1.23 4.11 2.02 -1.98 -3.46 112.91 117.82 2k40 h THR 6 Ca 0.09 -1.27 -0.61 0.00 0.77 0.00 0.00 66.41 65.39 2k40 h THR 6 Cb 0.99 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2k40 h THR 6 CO 0.25 0.22 1.50 0.00 0.37 0.00 0.00 175.52 177.87 2k40 n ALA 7 N -2.19 1.08 -1.04 6.16 0.00 -1.26 -4.97 120.51 118.29 2k40 n ALA 7 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 2k40 n ALA 7 Cb 0.50 -2.70 0.04 0.00 0.00 0.00 0.00 19.45 17.28 2k40 n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2k40 n PHE 8 N 11.30 -3.32 -2.09 0.00 3.72 -1.26 -5.05 117.46 120.76 2k40 n PHE 8 Ca 0.41 -0.16 -0.37 0.00 -0.05 0.00 0.00 57.45 57.28 2k40 n PHE 8 Cb 0.30 -0.17 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.34 2.74 0.42 4.37 -1.32 -1.26 -4.92 115.64 114.32 2k40 s THR 9 Ca 0.11 0.54 0.17 0.00 -1.21 0.00 0.00 61.69 61.30 2k40 s THR 9 Cb -0.01 -3.26 0.38 0.00 -1.51 0.00 0.00 72.50 68.10 2k40 s THR 9 CO 0.08 -0.03 1.86 1.56 -2.21 0.00 0.00 174.62 175.89 2k40 h GLN 10 N 1.68 0.40 0.00 7.08 7.50 -1.98 -0.97 115.11 128.81 2k40 h GLN 10 Ca -0.50 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2k40 h GLN 10 Cb 1.27 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2k40 h GLN 10 CO 0.58 0.27 0.00 -1.71 -1.50 0.00 0.00 178.83 176.47 2k40 n ASN 11 N -4.51 0.21 -0.04 1.46 5.15 -1.26 -0.88 115.26 115.38 2k40 n ASN 11 Ca 0.19 0.55 -0.22 0.00 -0.60 0.00 0.00 54.58 54.51 2k40 n ASN 11 Cb 0.69 -0.60 -0.13 0.00 -0.53 0.00 0.00 39.78 39.21 2k40 n ASN 11 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2k40 h GLN 12 N 0.00 0.15 -0.83 1.20 5.75 -1.58 -3.40 115.11 116.40 2k40 h GLN 12 Ca 0.00 -0.26 0.10 0.00 -0.15 0.00 0.00 58.65 58.35 2k40 h GLN 12 Cb 0.26 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.83 2k40 h GLN 12 CO 0.00 1.12 0.47 0.82 -2.65 0.00 0.00 178.83 178.59 2k40 h ILE 13 N -0.43 0.88 -0.61 2.39 1.08 -0.82 -2.46 117.51 117.54 2k40 h ILE 13 Ca -0.38 -0.26 0.12 0.00 -0.39 0.00 0.00 64.86 63.95 2k40 h ILE 13 Cb 1.70 0.04 -0.10 0.00 -3.07 0.00 0.00 36.82 35.39 2k40 h ILE 13 CO -0.04 0.14 0.07 -0.33 -0.69 0.00 0.00 178.15 177.29 2k40 h GLU 14 N 0.77 0.18 -0.36 2.37 4.39 -1.22 0.29 114.58 120.99 2k40 h GLU 14 Ca 0.41 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.01 2k40 h GLU 14 Cb 0.41 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k40 h GLU 14 CO -0.27 0.12 -0.11 0.28 -1.16 0.00 0.00 179.01 177.88 2k40 h VAL 15 N 0.18 1.28 -0.42 3.13 2.07 -1.66 -1.42 116.25 119.41 2k40 h VAL 15 Ca 0.32 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2k40 h VAL 15 Cb 0.51 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2k40 h VAL 15 CO -0.47 0.39 0.02 -0.07 0.02 0.00 0.00 177.57 177.46 2k40 h LEU 16 N 0.51 0.71 -0.53 2.57 3.38 -1.21 -2.03 115.31 118.72 2k40 h LEU 16 Ca 0.09 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2k40 h LEU 16 Cb 0.62 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k40 h LEU 16 CO 0.04 0.83 0.20 -0.33 0.09 0.00 0.00 178.44 179.26 2k40 h GLU 17 N 0.57 0.79 -0.68 1.13 5.08 -0.47 -0.80 114.58 120.21 2k40 h GLU 17 Ca 0.12 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2k40 h GLU 17 Cb 0.45 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2k40 h GLU 17 CO 0.02 0.71 0.45 -0.91 -1.00 0.00 0.00 179.01 178.27 2k40 h ASN 18 N 0.71 0.74 -0.13 1.42 2.35 -1.10 -0.38 115.58 119.20 2k40 h ASN 18 Ca 0.17 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2k40 h ASN 18 Cb 0.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2k40 h ASN 18 CO -0.01 0.52 -0.25 0.58 -1.65 0.00 0.00 177.43 176.62 2k40 h VAL 19 N 0.86 1.37 -0.76 2.81 2.07 -1.24 -3.26 116.25 118.12 2k40 h VAL 19 Ca 0.26 -1.52 0.15 0.00 0.82 0.00 0.00 66.70 66.40 2k40 h VAL 19 Cb -0.02 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2k40 h VAL 19 CO -0.07 0.45 0.51 0.15 0.02 0.00 0.00 177.57 178.63 2k40 h PHE 20 N -0.02 0.50 -0.98 1.57 3.04 -0.77 -0.23 116.94 120.06 2k40 h PHE 20 Ca 0.00 0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.10 2k40 h PHE 20 Cb 0.84 -0.16 -0.08 0.00 2.56 0.00 0.00 35.95 39.11 2k40 h PHE 20 CO 0.10 0.19 0.62 -0.09 -2.02 0.00 0.00 178.31 177.11 2k40 h ARG 21 N 0.43 0.86 0.06 1.11 9.65 -1.11 -2.74 114.38 122.63 2k40 h ARG 21 Ca 0.37 -0.05 -0.27 0.00 -1.10 0.00 0.00 59.98 58.93 2k40 h ARG 21 Cb 0.84 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 2k40 h ARG 21 CO -0.12 0.57 -1.46 0.28 2.80 0.00 0.00 179.97 182.04 2k40 h VAL 22 N 0.89 0.88 -2.93 0.20 2.07 -1.52 -3.46 116.25 112.38 2k40 h VAL 22 Ca 0.50 -2.27 -0.61 0.00 0.82 0.00 0.00 66.70 65.13 2k40 h VAL 22 Cb 0.61 2.43 -0.40 0.00 -1.52 0.00 0.00 31.29 32.41 2k40 h VAL 22 CO -0.26 0.56 -0.75 0.20 0.02 0.00 0.00 177.57 177.34 2k40 s ASN 23 N -6.93 3.54 0.65 0.57 -0.87 -0.16 -5.00 114.94 106.74 2k40 s ASN 23 Ca -0.25 -2.73 0.37 0.00 -1.57 0.00 0.00 52.86 48.69 2k40 s ASN 23 Cb 0.06 -1.01 2.07 0.00 -0.02 0.00 0.00 41.25 42.35 2k40 s ASN 23 CO 0.68 -0.25 2.22 0.00 -2.57 0.00 0.00 177.10 177.18 2k40 s TYR 25 N -4.27 -0.88 0.99 0.00 5.04 -1.26 -4.62 117.35 112.34 2k40 s TYR 25 Ca -0.05 -0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 53.92 2k40 s TYR 25 Cb 0.13 -0.09 0.21 0.00 0.35 0.00 0.00 41.96 42.55 2k40 s TYR 25 CO 0.42 -1.07 1.30 -1.25 -1.34 0.00 0.00 175.55 173.61 2k40 s PRO 26 N 1.43 0.46 0.82 4.97 0.04 -1.25 -5.08 135.00 136.38 2k40 s PRO 26 Ca 0.19 -0.37 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 2k40 s PRO 26 Cb -0.08 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.71 2k40 s PRO 26 CO -0.05 -2.54 1.10 0.20 0.04 0.00 0.00 177.00 175.74 2k40 s GLY 27 N -4.79 1.62 0.17 0.56 0.00 -1.26 -4.86 107.32 98.76 2k40 s GLY 27 Ca 0.74 -0.18 -0.13 0.00 0.00 0.00 0.00 44.72 45.15 2k40 s GLY 27 CO 0.53 0.26 1.77 -2.22 0.00 0.00 0.00 173.10 173.44 2k40 h ILE 28 N -1.17 1.20 0.00 0.90 1.08 -1.99 -1.98 117.51 115.55 2k40 h ILE 28 Ca -0.47 -0.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2k40 h ILE 28 Cb 1.27 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.52 2k40 h ILE 28 CO 0.58 0.23 -0.01 0.44 -0.69 0.00 0.00 178.15 178.70 2k40 h ASP 29 N 0.79 0.00 0.22 1.72 5.19 -1.98 0.25 116.42 122.62 2k40 h ASP 29 Ca 0.20 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.29 2k40 h ASP 29 Cb 0.09 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.63 2k40 h ASP 29 CO -0.03 0.01 -1.49 0.40 -3.12 0.00 0.00 179.24 175.01 2k40 h ILE 30 N 0.00 1.20 -0.01 0.35 1.08 -1.76 -1.87 117.51 116.50 2k40 h ILE 30 Ca -0.00 -2.62 -0.00 0.00 -0.39 0.00 0.00 64.86 61.85 2k40 h ILE 30 Cb 0.03 2.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.75 2k40 h ILE 30 CO 0.00 0.81 0.00 -0.07 -0.69 0.00 0.00 178.15 178.21 2k40 h LEU 31 N 0.07 0.02 -1.09 1.44 3.38 -0.74 -2.16 115.31 116.24 2k40 h LEU 31 Ca -0.27 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2k40 h LEU 31 Cb 2.09 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.79 2k40 h LEU 31 CO 0.23 0.20 0.62 -0.33 0.09 0.00 0.00 178.44 179.25 2k40 h GLU 32 N -0.16 1.23 -0.45 1.13 4.39 -0.69 0.55 114.58 120.57 2k40 h GLU 32 Ca 0.00 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.71 2k40 h GLU 32 Cb 0.19 -0.28 -0.07 0.00 -0.10 0.00 0.00 28.75 28.49 2k40 h GLU 32 CO -0.00 0.81 0.02 0.22 -1.16 0.00 0.00 179.01 178.90 2k40 h ASP 33 N 1.26 -0.14 -0.52 1.42 1.82 -1.22 0.48 116.42 119.53 2k40 h ASP 33 Ca 0.34 0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.96 2k40 h ASP 33 Cb -0.15 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 2k40 h ASP 33 CO -0.07 -0.04 -0.16 -0.07 -1.61 0.00 0.00 179.24 177.29 2k40 h LEU 34 N 0.14 1.04 0.09 2.28 3.38 -1.10 -0.95 115.31 120.19 2k40 h LEU 34 Ca 0.22 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k40 h LEU 34 Cb 0.32 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2k40 h LEU 34 CO -0.35 1.17 -0.34 0.00 0.09 0.00 0.00 178.44 179.01 2k40 h ALA 35 N 0.90 -0.57 0.15 1.53 0.00 -0.51 -2.10 119.26 118.66 2k40 h ALA 35 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k40 h ALA 35 Cb 0.74 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k40 h ALA 35 CO 0.06 -0.88 -0.07 1.96 0.00 0.00 0.00 179.25 180.31 2k40 h GLN 36 N -0.55 -0.20 0.00 0.00 1.08 -0.86 -0.68 115.11 113.89 2k40 h GLN 36 Ca 0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2k40 h GLN 36 Cb 0.60 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2k40 h GLN 36 CO -0.22 -0.01 0.00 1.63 -0.95 0.00 0.00 178.83 179.28 2k40 n LYS 37 N -5.11 0.10 0.00 1.46 5.02 -0.37 -2.57 118.16 116.69 2k40 n LYS 37 Ca -0.09 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k40 n LYS 37 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.42 1.40 -3.38 -0.35 4.77 -0.79 -5.05 117.00 112.18 2k40 n LEU 38 Ca 0.06 -1.40 -0.28 0.00 -0.03 0.00 0.00 56.01 54.36 2k40 n LEU 38 Cb 0.19 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2k40 n LEU 38 CO 0.16 0.35 -0.23 -3.20 -1.33 0.00 0.00 177.39 173.14 2k40 n ASN 39 N -0.22 -4.43 -4.22 -1.43 5.15 -0.94 -5.04 115.26 104.12 2k40 n ASN 39 Ca 0.00 -0.48 -0.13 0.00 -0.60 0.00 0.00 54.58 53.38 2k40 n ASN 39 Cb 0.13 -1.37 -0.10 0.00 -0.53 0.00 0.00 39.78 37.91 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 -3.26 2.03 0.38 1.20 1.43 -0.31 -5.05 118.68 115.11 2k40 s LEU 40 Ca 0.18 -1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2k40 s LEU 40 Cb -0.02 0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 2k40 s LEU 40 CO 0.77 -0.61 0.71 -1.83 0.23 0.00 0.00 176.35 175.62 2k40 s GLU 41 N -3.95 3.72 0.23 1.70 1.03 -1.26 -4.27 118.70 115.90 2k40 s GLU 41 Ca 0.24 0.32 -0.12 0.00 0.03 0.00 0.00 54.97 55.45 2k40 s GLU 41 Cb 0.06 -2.46 0.31 0.00 -0.80 0.00 0.00 34.13 31.25 2k40 s GLU 41 CO 0.04 0.01 1.61 1.25 -1.33 0.00 0.00 175.26 176.84 2k40 h LEU 42 N 1.27 -0.69 -1.10 1.83 7.12 -1.93 -1.31 115.31 120.51 2k40 h LEU 42 Ca -0.47 0.22 0.05 0.00 0.13 0.00 0.00 57.88 57.81 2k40 h LEU 42 Cb 1.19 0.46 -0.06 0.00 -0.53 0.00 0.00 40.66 41.72 2k40 h LEU 42 CO 0.64 -0.25 0.61 0.44 -0.13 0.00 0.00 178.44 179.76 2k40 h ASP 43 N 0.00 0.99 -0.34 1.25 5.19 -1.98 0.15 116.42 121.68 2k40 h ASP 43 Ca 0.36 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.68 2k40 h ASP 43 Cb 0.56 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2k40 h ASP 43 CO -0.77 0.65 -0.13 0.03 -3.12 0.00 0.00 179.24 175.91 2k40 h ARG 44 N 1.13 0.69 -0.50 3.56 3.08 -1.65 -0.30 114.38 120.39 2k40 h ARG 44 Ca 0.39 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 2k40 h ARG 44 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2k40 h ARG 44 CO -0.13 0.88 0.01 0.82 -1.07 0.00 0.00 179.97 180.47 2k40 h ILE 45 N 0.47 1.26 0.00 2.04 1.08 -1.07 -0.47 117.51 120.83 2k40 h ILE 45 Ca 0.08 -1.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.51 2k40 h ILE 45 Cb 0.65 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 2k40 h ILE 45 CO 0.04 0.37 -0.14 1.56 -0.69 0.00 0.00 178.15 179.30 2k40 h GLN 46 N 0.73 -0.23 -0.79 2.37 1.08 -0.67 0.10 115.11 117.70 2k40 h GLN 46 Ca 0.14 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2k40 h GLN 46 Cb 0.51 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2k40 h GLN 46 CO 0.02 -0.15 0.52 0.82 -0.95 0.00 0.00 178.83 179.10 2k40 h ILE 47 N -0.24 1.15 0.98 2.54 2.04 -1.01 0.16 117.51 123.14 2k40 h ILE 47 Ca 0.05 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2k40 h ILE 47 Cb 0.30 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2k40 h ILE 47 CO -0.14 0.18 -0.47 -0.25 0.00 0.00 0.00 178.15 177.48 2k40 h TRP 48 N 1.01 -1.22 -0.44 1.37 7.01 -0.49 -0.92 115.95 122.28 2k40 h TRP 48 Ca 0.31 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.34 2k40 h TRP 48 Cb -0.02 0.40 -0.06 0.00 -2.10 0.00 0.00 29.16 27.39 2k40 h TRP 48 CO -0.00 -0.76 0.12 0.74 -2.79 0.00 0.00 178.44 175.75 2k40 h PHE 49 N -1.35 0.20 -0.80 2.65 -1.00 -0.58 -2.26 116.94 113.81 2k40 h PHE 49 Ca -0.13 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 2k40 h PHE 49 Cb 1.01 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.51 2k40 h PHE 49 CO -0.00 0.05 0.35 0.37 -1.61 0.00 0.00 178.31 177.47 2k40 h GLN 50 N 0.27 1.16 -0.96 1.51 4.15 -0.73 -0.42 115.11 120.08 2k40 h GLN 50 Ca 0.21 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2k40 h GLN 50 Cb 0.24 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 2k40 h GLN 50 CO -0.25 0.91 0.60 -0.91 -1.93 0.00 0.00 178.83 177.25 2k40 h ASN 51 N 1.14 1.15 0.38 -0.69 2.35 -0.61 0.17 115.58 119.47 2k40 h ASN 51 Ca 0.27 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2k40 h ASN 51 Cb 0.16 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2k40 h ASN 51 CO -0.03 0.87 -0.18 0.03 -1.65 0.00 0.00 177.43 176.46 2k40 h ARG 52 N 1.32 -0.50 0.00 0.81 2.47 -0.93 -0.21 114.38 117.35 2k40 h ARG 52 Ca 0.35 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2k40 h ARG 52 Cb -0.08 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2k40 h ARG 52 CO -0.07 -0.19 0.00 0.07 0.56 0.00 0.00 179.97 180.34 2k40 h ARG 53 N -0.83 0.00 0.52 0.04 -0.00 -1.05 -1.31 114.38 111.75 2k40 h ARG 53 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.90 2k40 h ARG 53 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.51 2k40 h ARG 53 CO 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 179.97 179.81 2k40 h ALA 54 N 2.07 -0.73 -0.87 0.08 0.00 -0.65 -3.37 119.26 115.78 2k40 h ALA 54 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2k40 h ALA 54 Cb 0.42 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2k40 h ALA 54 CO 0.00 -0.68 0.49 -0.22 0.00 0.00 0.00 179.25 178.84 2k40 h LYS 55 N -1.12 0.74 -0.99 0.00 3.64 -0.64 -1.05 116.57 117.14 2k40 h LYS 55 Ca -0.07 -0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.50 2k40 h LYS 55 Cb 0.53 -0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 32.00 2k40 h LYS 55 CO 0.12 0.49 -0.11 -0.11 -2.27 0.00 0.00 179.45 177.57 2k40 n LEU 56 N -4.77 -0.23 -3.12 5.20 7.94 -0.53 -1.96 117.00 119.53 2k40 n LEU 56 Ca 0.16 1.69 -0.21 0.00 -1.11 0.00 0.00 56.01 56.54 2k40 n LEU 56 Cb 0.36 -0.57 -0.04 0.00 0.53 0.00 0.00 43.42 43.71 2k40 n LEU 56 CO 0.24 -1.67 -0.11 1.17 -1.11 0.00 0.00 177.39 175.92 2k40 n LYS 57 N -5.55 1.71 -1.96 1.96 3.00 -0.90 -5.12 118.16 111.31 2k40 n LYS 57 Ca 0.20 -3.87 -0.39 0.00 -0.00 0.00 0.00 58.31 54.24 2k40 n LYS 57 Cb 0.63 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2k40 n LYS 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2k40 s ARG 58 N -2.68 3.83 0.20 1.64 3.52 -0.45 -4.96 118.95 120.05 2k40 s ARG 58 Ca 0.42 2.25 -0.31 0.00 -0.13 0.00 0.00 55.73 57.96 2k40 s ARG 58 Cb 0.31 -2.70 -0.11 0.00 -1.56 0.00 0.00 34.95 30.90 2k40 s ARG 58 CO -0.10 -0.64 1.61 0.45 -0.81 0.00 0.00 175.30 175.81 2k40 s SER 59 N -0.67 6.51 -0.05 -2.12 0.15 -1.26 -4.91 113.70 111.35 2k40 s SER 59 Ca 0.59 2.73 -0.01 0.00 0.70 0.00 0.00 55.95 59.96 2k40 s SER 59 Cb -0.40 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.31 2k40 s SER 59 CO 0.51 -0.87 2.20 1.57 1.20 0.00 0.00 173.24 177.85 2k40 n HIS 60 N 3.67 0.21 -2.19 3.44 -0.00 -1.26 -4.93 115.22 114.16 2k40 n HIS 60 Ca 0.13 -1.19 -0.26 0.00 0.46 0.00 0.00 57.72 56.86 2k40 n HIS 60 Cb 0.38 -0.69 0.11 0.00 -0.12 0.00 0.00 29.99 29.66 2k40 n HIS 60 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2k40 s ARG 61 N -0.14 1.71 0.31 1.57 1.70 -1.26 -5.13 118.95 117.72 2k40 s ARG 61 Ca 0.12 -0.43 0.08 0.00 -0.47 0.00 0.00 55.73 55.03 2k40 s ARG 61 Cb 0.07 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 2k40 s ARG 61 CO -0.00 -1.58 0.21 -1.21 -1.08 0.00 0.00 175.30 171.63 2k40 s GLU 62 N -5.40 2.64 0.24 3.89 2.02 -1.26 -5.16 118.70 115.67 2k40 s GLU 62 Ca 0.65 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 2k40 s GLU 62 Cb -0.08 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 2k40 s GLU 62 CO 0.47 0.18 0.29 0.45 0.02 0.00 0.00 175.26 176.67 2k40 s SER 63 N -3.90 0.33 -0.18 -0.19 0.15 -1.26 -5.17 113.70 103.49 2k40 s SER 63 Ca 0.38 -1.31 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 2k40 s SER 63 Cb -0.05 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2k40 s SER 63 CO 0.25 -1.01 -0.11 -1.10 1.20 0.00 0.00 173.24 172.47 2k40 s GLN 64 N -3.91 3.30 0.07 5.44 1.11 -1.26 -5.10 119.66 119.31 2k40 s GLN 64 Ca 0.33 -0.69 -0.22 0.00 0.01 0.00 0.00 55.36 54.79 2k40 s GLN 64 Cb 0.03 -2.78 0.05 0.00 -1.01 0.00 0.00 33.01 29.31 2k40 s GLN 64 CO 0.14 -0.05 0.53 0.12 0.01 0.00 0.00 175.29 176.04 2k40 s PHE 65 N 1.02 -0.43 0.26 0.91 2.19 -1.26 -5.20 117.98 115.48 2k40 s PHE 65 Ca -0.01 0.40 0.02 0.00 0.33 0.00 0.00 56.93 57.67 2k40 s PHE 65 Cb -0.15 0.37 -0.03 0.00 -1.31 0.00 0.00 43.02 41.90 2k40 s PHE 65 CO -0.02 -0.68 0.23 -1.17 1.83 0.00 0.00 175.22 175.41 2k40 s LEU 66 N -2.18 1.34 0.00 6.12 1.98 -1.26 -5.34 118.68 119.34 2k40 s LEU 66 Ca -0.03 -1.52 0.00 0.00 -2.89 0.00 0.00 54.13 49.68 2k40 s LEU 66 Cb -0.00 0.58 0.00 0.00 0.66 0.00 0.00 46.19 47.43 2k40 s LEU 66 CO -0.04 -0.97 0.00 0.80 -1.89 0.00 0.00 176.35 174.24