#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 3.98 0.20 1.61 0.52 -1.26 -4.32 118.95 119.68 2k40 s ARG 2 Ca 0.00 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 2k40 s ARG 2 Cb 0.00 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.31 2k40 s ARG 2 CO 0.00 -1.12 0.00 0.54 0.02 0.00 0.00 175.30 174.74 2k40 n ARG 3 N 7.67 -3.92 -1.34 3.54 1.74 -1.26 -4.80 116.66 118.30 2k40 n ARG 3 Ca 0.21 2.78 -0.38 0.00 -0.77 0.00 0.00 57.85 59.69 2k40 n ARG 3 Cb 0.42 -3.18 -0.02 0.00 -1.02 0.00 0.00 32.46 28.66 2k40 n ARG 3 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2k40 n PRO 4 N 1.36 2.63 -2.93 5.56 -0.04 -1.26 -4.61 135.00 135.72 2k40 n PRO 4 Ca 0.00 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.07 2k40 n PRO 4 Cb 0.00 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 2k40 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k40 n ARG 5 N 5.38 2.63 -2.31 0.54 3.00 -1.26 -4.91 116.66 119.72 2k40 n ARG 5 Ca 0.57 -4.39 -0.35 0.00 -0.00 0.00 0.00 57.85 53.68 2k40 n ARG 5 Cb 0.31 -2.06 -0.03 0.00 0.00 0.00 0.00 32.46 30.67 2k40 n ARG 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2k40 s THR 6 N -4.06 3.80 0.72 5.15 2.01 -1.26 -4.97 115.64 117.02 2k40 s THR 6 Ca 0.46 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.07 2k40 s THR 6 Cb 0.32 -4.82 0.02 0.00 0.01 0.00 0.00 72.50 68.03 2k40 s THR 6 CO -0.12 -1.48 1.09 0.00 -0.69 0.00 0.00 174.62 173.42 2k40 s ALA 7 N 7.76 2.78 0.10 7.40 0.00 -1.26 -4.29 121.76 134.25 2k40 s ALA 7 Ca 0.61 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2k40 s ALA 7 Cb 0.01 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 2k40 s ALA 7 CO 0.08 -1.22 0.03 1.19 0.00 0.00 0.00 175.76 175.84 2k40 n PHE 8 N -3.08 0.06 -2.32 0.00 3.72 -1.26 -5.13 117.46 109.45 2k40 n PHE 8 Ca 0.07 -0.62 -0.36 0.00 -0.05 0.00 0.00 57.45 56.49 2k40 n PHE 8 Cb 0.57 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 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 -1.85 3.28 0.29 4.37 -1.32 -1.26 -4.83 115.64 114.32 2k40 s THR 9 Ca 0.04 0.85 0.04 0.00 -1.21 0.00 0.00 61.69 61.41 2k40 s THR 9 Cb 0.00 -3.38 0.28 0.00 -1.51 0.00 0.00 72.50 67.89 2k40 s THR 9 CO 0.03 -0.12 1.73 -0.61 -2.21 0.00 0.00 174.62 173.44 2k40 h GLN 10 N 1.58 0.52 0.00 7.08 4.15 -2.01 -0.15 115.11 126.28 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 1.25 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2k40 h GLN 10 CO 0.58 0.34 0.00 -0.97 -1.93 0.00 0.00 178.83 176.86 2k40 h ASN 11 N 0.53 0.00 0.19 -0.69 -1.24 -2.00 0.44 115.58 112.81 2k40 h ASN 11 Ca 0.55 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 57.23 2k40 h ASN 11 Cb 0.96 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.02 2k40 h ASN 11 CO -0.46 0.00 -1.62 -0.61 -1.29 0.00 0.00 177.43 173.46 2k40 h GLN 12 N 0.00 0.41 -0.19 6.67 4.15 -1.47 -3.35 115.11 121.33 2k40 h GLN 12 Ca 0.00 -0.70 0.05 0.00 0.77 0.00 0.00 58.65 58.77 2k40 h GLN 12 Cb 0.54 0.26 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 2k40 h GLN 12 CO 0.00 1.33 -0.15 0.82 -1.93 0.00 0.00 178.83 178.91 2k40 h ILE 13 N 0.04 0.59 -0.87 2.39 1.08 -0.73 -2.70 117.51 117.32 2k40 h ILE 13 Ca -0.31 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.28 2k40 h ILE 13 Cb 2.05 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 36.33 2k40 h ILE 13 CO 0.18 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 177.87 2k40 h GLU 14 N -0.15 0.72 -0.14 2.37 4.39 -1.09 0.28 114.58 120.96 2k40 h GLU 14 Ca 0.11 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2k40 h GLU 14 Cb 0.32 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k40 h GLU 14 CO -0.28 0.48 -0.01 0.28 -1.16 0.00 0.00 179.01 178.32 2k40 h VAL 15 N 0.74 1.27 -0.47 3.13 2.07 -1.64 -1.35 116.25 120.00 2k40 h VAL 15 Ca 0.42 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2k40 h VAL 15 Cb 0.58 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2k40 h VAL 15 CO -0.18 0.26 0.16 -0.07 0.02 0.00 0.00 177.57 177.76 2k40 h LEU 16 N -0.03 0.68 -0.23 2.57 3.38 -1.05 -2.36 115.31 118.27 2k40 h LEU 16 Ca 0.04 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2k40 h LEU 16 Cb 0.40 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2k40 h LEU 16 CO 0.01 0.69 -0.36 -0.33 0.09 0.00 0.00 178.44 178.54 2k40 h GLU 17 N 0.63 -0.36 0.00 1.13 4.39 -0.52 -1.19 114.58 118.66 2k40 h GLU 17 Ca 0.15 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2k40 h GLU 17 Cb 0.24 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2k40 h GLU 17 CO -0.01 -0.24 0.06 0.09 -1.16 0.00 0.00 179.01 177.75 2k40 n ASN 18 N -5.42 0.31 -0.09 1.42 3.02 -0.51 -1.01 115.26 112.99 2k40 n ASN 18 Ca -0.02 0.62 -0.20 0.00 -0.03 0.00 0.00 54.58 54.95 2k40 n ASN 18 Cb 0.34 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 2k40 n ASN 18 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2k40 h VAL 19 N 0.00 1.18 -0.61 2.41 2.07 -0.88 -3.40 116.25 117.02 2k40 h VAL 19 Ca 0.00 -2.24 0.17 0.00 0.82 0.00 0.00 66.70 65.45 2k40 h VAL 19 Cb 0.11 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2k40 h VAL 19 CO 0.00 0.42 0.44 0.15 0.02 0.00 0.00 177.57 178.60 2k40 h PHE 20 N -0.96 0.06 -0.52 1.57 3.04 0.11 -0.31 116.94 119.94 2k40 h PHE 20 Ca -0.24 0.00 0.15 0.00 3.98 0.00 0.00 57.97 61.86 2k40 h PHE 20 Cb 1.24 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 2k40 h PHE 20 CO 0.15 0.02 0.43 0.00 -2.02 0.00 0.00 178.31 176.90 2k40 h ARG 21 N 0.05 0.00 0.00 1.11 2.47 -1.29 -3.19 114.38 113.53 2k40 h ARG 21 Ca 0.29 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.79 2k40 h ARG 21 Cb 1.10 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 2k40 h ARG 21 CO -0.02 0.00 -1.76 0.28 0.56 0.00 0.00 179.97 179.03 2k40 n VAL 22 N -4.07 0.75 -3.64 2.04 0.31 -0.63 -4.92 118.33 108.16 2k40 n VAL 22 Ca 0.10 -0.20 -0.37 0.00 -0.01 0.00 0.00 64.34 63.86 2k40 n VAL 22 Cb 0.65 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 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 -6.12 5.86 0.44 4.52 -0.87 -0.22 -4.90 114.94 113.65 2k40 s ASN 23 Ca -0.19 -3.51 0.16 0.00 -1.57 0.00 0.00 52.86 47.76 2k40 s ASN 23 Cb 0.07 -1.91 1.08 0.00 -0.02 0.00 0.00 41.25 40.47 2k40 s ASN 23 CO 0.25 -0.23 1.93 0.00 -2.57 0.00 0.00 177.10 176.47 2k40 s TYR 25 N -5.38 2.80 0.91 0.00 2.02 -1.26 -4.91 117.35 111.53 2k40 s TYR 25 Ca -0.08 -2.29 -0.14 0.00 -0.37 0.00 0.00 57.07 54.20 2k40 s TYR 25 Cb 0.21 -2.19 0.17 0.00 -0.40 0.00 0.00 41.96 39.75 2k40 s TYR 25 CO 0.76 -0.88 1.26 -1.25 -1.57 0.00 0.00 175.55 173.87 2k40 s PRO 26 N 1.24 1.00 0.51 -1.71 0.04 -1.24 -5.11 135.00 129.73 2k40 s PRO 26 Ca 0.05 -0.38 -0.04 0.00 0.04 0.00 0.00 61.00 60.68 2k40 s PRO 26 Cb -0.18 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2k40 s PRO 26 CO -0.12 -2.16 0.79 0.20 0.04 0.00 0.00 177.00 175.75 2k40 s GLY 27 N -4.81 1.56 0.30 0.56 0.00 -1.26 -4.98 107.32 98.69 2k40 s GLY 27 Ca 0.71 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 2k40 s GLY 27 CO 0.51 -0.56 1.96 -2.22 0.00 0.00 0.00 173.10 172.79 2k40 h ILE 28 N 0.12 1.18 0.00 0.90 1.08 -1.99 -1.65 117.51 117.14 2k40 h ILE 28 Ca -0.46 -0.37 -0.11 0.00 -0.39 0.00 0.00 64.86 63.53 2k40 h ILE 28 Cb 1.24 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2k40 h ILE 28 CO 0.60 0.20 -0.51 0.44 -0.69 0.00 0.00 178.15 178.18 2k40 h ASP 29 N 1.08 0.00 0.05 1.72 5.19 -1.97 0.15 116.42 122.63 2k40 h ASP 29 Ca 0.32 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.45 2k40 h ASP 29 Cb -0.05 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.48 2k40 h ASP 29 CO -0.08 0.51 -1.10 0.40 -3.12 0.00 0.00 179.24 175.85 2k40 h ILE 30 N 0.00 1.28 -0.34 0.35 2.04 -1.84 0.23 117.51 119.24 2k40 h ILE 30 Ca -0.01 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 2k40 h ILE 30 Cb 1.07 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 2k40 h ILE 30 CO 0.07 0.71 0.17 -0.07 0.00 0.00 0.00 178.15 179.03 2k40 h LEU 31 N 0.36 0.43 -0.11 1.44 3.38 -1.07 -0.95 115.31 118.79 2k40 h LEU 31 Ca -0.15 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2k40 h LEU 31 Cb 1.76 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2k40 h LEU 31 CO 0.21 0.42 -0.02 -0.33 0.09 0.00 0.00 178.44 178.81 2k40 h GLU 32 N 0.41 0.01 -0.18 1.13 4.39 -0.78 -1.05 114.58 118.52 2k40 h GLU 32 Ca 0.12 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2k40 h GLU 32 Cb 0.09 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k40 h GLU 32 CO -0.02 0.01 0.13 0.22 -1.16 0.00 0.00 179.01 178.19 2k40 h ASP 33 N 0.01 0.04 -0.01 1.42 3.58 -0.70 0.23 116.42 120.99 2k40 h ASP 33 Ca 0.05 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2k40 h ASP 33 Cb 0.08 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2k40 h ASP 33 CO -0.11 0.03 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.19 2k40 h LEU 34 N 0.04 0.02 -0.20 2.28 3.38 -1.10 -3.15 115.31 116.59 2k40 h LEU 34 Ca 0.08 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.58 2k40 h LEU 34 Cb 0.28 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2k40 h LEU 34 CO -0.01 0.55 -0.14 0.00 0.09 0.00 0.00 178.44 178.94 2k40 h ALA 35 N 0.48 0.02 0.00 1.53 0.00 -0.18 0.70 119.26 121.81 2k40 h ALA 35 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k40 h ALA 35 Cb 0.54 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k40 h ALA 35 CO 0.00 -0.56 0.00 1.04 0.00 0.00 0.00 179.25 179.73 2k40 n GLN 36 N -5.29 0.08 -0.01 0.00 1.13 0.72 -2.01 117.38 112.00 2k40 n GLN 36 Ca -0.02 0.46 -0.01 0.00 -1.94 0.00 0.00 57.00 55.49 2k40 n GLN 36 Cb 0.21 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 28.84 2k40 n GLN 36 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2k40 n LYS 37 N -1.87 1.96 0.05 -1.09 4.81 -0.98 -4.71 118.16 116.32 2k40 n LYS 37 Ca 0.01 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.58 2k40 n LYS 37 Cb 0.10 -1.03 0.29 0.00 0.02 0.00 0.00 35.03 34.41 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k40 n LEU 38 N -2.29 0.60 -2.49 3.14 4.77 0.20 -4.99 117.00 115.95 2k40 n LEU 38 Ca -0.02 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 2k40 n LEU 38 Cb 0.54 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2k40 n LEU 38 CO 0.02 -0.04 0.13 -3.20 -1.33 0.00 0.00 177.39 172.97 2k40 n ASN 39 N -1.95 -5.21 -3.52 -1.43 2.85 -0.97 -5.07 115.26 99.97 2k40 n ASN 39 Ca 0.05 -0.20 -0.19 0.00 -0.11 0.00 0.00 54.58 54.13 2k40 n ASN 39 Cb 0.41 -3.49 -0.08 0.00 1.24 0.00 0.00 39.78 37.85 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k40 s LEU 40 N -3.72 1.69 0.25 1.20 1.43 -0.85 -5.07 118.68 113.61 2k40 s LEU 40 Ca 0.12 -1.71 0.10 0.00 -1.03 0.00 0.00 54.13 51.61 2k40 s LEU 40 Cb -0.02 0.49 -0.04 0.00 0.03 0.00 0.00 46.19 46.65 2k40 s LEU 40 CO 0.45 -1.02 -0.08 -1.83 0.23 0.00 0.00 176.35 174.09 2k40 s GLU 41 N -3.56 2.05 0.27 1.70 1.03 -1.26 -4.45 118.70 114.48 2k40 s GLU 41 Ca 0.40 -1.50 -0.01 0.00 0.03 0.00 0.00 54.97 53.89 2k40 s GLU 41 Cb 0.03 -2.04 0.51 0.00 -0.80 0.00 0.00 34.13 31.83 2k40 s GLU 41 CO 0.25 0.37 1.81 1.25 -1.33 0.00 0.00 175.26 177.61 2k40 h LEU 42 N 2.21 0.76 -1.55 1.83 6.46 -1.96 -0.60 115.31 122.47 2k40 h LEU 42 Ca -0.44 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 2k40 h LEU 42 Cb 1.24 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 2k40 h LEU 42 CO 0.59 0.40 0.18 0.44 -0.62 0.00 0.00 178.44 179.43 2k40 h ASP 43 N 0.85 0.43 -0.39 1.25 3.32 -1.97 0.18 116.42 120.09 2k40 h ASP 43 Ca 0.46 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.35 2k40 h ASP 43 Cb 0.50 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2k40 h ASP 43 CO -0.28 0.36 -0.28 0.03 -1.72 0.00 0.00 179.24 177.35 2k40 h ARG 44 N 0.49 0.92 -0.13 3.56 3.08 -1.53 0.11 114.38 120.87 2k40 h ARG 44 Ca 0.13 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2k40 h ARG 44 Cb 0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2k40 h ARG 44 CO -0.02 1.08 -0.01 0.82 -1.07 0.00 0.00 179.97 180.77 2k40 h ILE 45 N 0.78 1.26 -0.27 2.04 1.08 -1.19 -0.70 117.51 120.51 2k40 h ILE 45 Ca 0.09 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 2k40 h ILE 45 Cb 0.85 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.13 2k40 h ILE 45 CO 0.07 0.25 -0.07 1.56 -0.69 0.00 0.00 178.15 179.28 2k40 h GLN 46 N -0.04 0.00 -0.68 2.37 1.08 -0.61 0.13 115.11 117.37 2k40 h GLN 46 Ca 0.04 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2k40 h GLN 46 Cb 0.39 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2k40 h GLN 46 CO 0.01 0.00 0.30 0.82 -0.95 0.00 0.00 178.83 179.01 2k40 h ILE 47 N 0.00 1.23 0.69 2.54 2.04 -1.01 0.28 117.51 123.29 2k40 h ILE 47 Ca 0.13 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2k40 h ILE 47 Cb 0.20 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2k40 h ILE 47 CO -0.28 0.28 -0.41 -0.25 0.00 0.00 0.00 178.15 177.49 2k40 h TRP 48 N 0.98 -1.09 -0.20 1.37 7.01 -0.20 -0.79 115.95 123.04 2k40 h TRP 48 Ca 0.23 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.27 2k40 h TRP 48 Cb 0.15 0.38 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 2k40 h TRP 48 CO 0.01 -0.63 -0.14 0.74 -2.79 0.00 0.00 178.44 175.64 2k40 h PHE 49 N -1.04 -0.34 -0.95 2.65 -1.00 -0.51 -0.83 116.94 114.93 2k40 h PHE 49 Ca -0.09 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.75 2k40 h PHE 49 Cb 0.83 0.18 -0.06 0.00 3.61 0.00 0.00 35.95 40.51 2k40 h PHE 49 CO -0.09 -0.20 0.62 1.96 -1.61 0.00 0.00 178.31 178.99 2k40 h GLN 50 N -0.13 1.16 -0.29 1.51 1.08 -1.00 -0.02 115.11 117.41 2k40 h GLN 50 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2k40 h GLN 50 Cb 0.31 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2k40 h GLN 50 CO -0.28 0.77 0.14 -0.91 -0.95 0.00 0.00 178.83 177.60 2k40 h ASN 51 N 1.20 0.38 -0.29 1.46 2.35 -0.21 0.59 115.58 121.05 2k40 h ASN 51 Ca 0.38 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2k40 h ASN 51 Cb 0.02 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2k40 h ASN 51 CO -0.13 0.39 0.16 0.03 -1.65 0.00 0.00 177.43 176.24 2k40 h ARG 52 N 0.33 0.41 -0.31 0.81 2.47 -0.89 0.58 114.38 117.78 2k40 h ARG 52 Ca 0.10 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2k40 h ARG 52 Cb 0.12 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 2k40 h ARG 52 CO -0.01 0.35 0.17 -0.09 0.56 0.00 0.00 179.97 180.95 2k40 h ARG 53 N 0.36 0.34 0.40 0.04 1.12 -0.90 0.83 114.38 116.57 2k40 h ARG 53 Ca 0.10 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.93 2k40 h ARG 53 Cb 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2k40 h ARG 53 CO -0.02 0.23 -0.21 0.00 -3.11 0.00 0.00 179.97 176.86 2k40 h ALA 54 N 1.14 -0.56 -0.88 2.80 0.00 -0.78 -1.45 119.26 119.54 2k40 h ALA 54 Ca 0.12 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2k40 h ALA 54 Cb 0.02 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2k40 h ALA 54 CO -0.07 -0.82 0.57 -0.22 0.00 0.00 0.00 179.25 178.72 2k40 h LYS 55 N -0.56 0.88 -0.14 0.00 3.64 -0.64 0.10 116.57 119.85 2k40 h LYS 55 Ca -0.05 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2k40 h LYS 55 Cb 0.44 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2k40 h LYS 55 CO 0.08 0.58 -0.18 1.25 -2.27 0.00 0.00 179.45 178.91 2k40 h LEU 56 N 0.90 0.41 -1.75 5.20 6.46 -0.79 -3.11 115.31 122.64 2k40 h LEU 56 Ca 0.40 -0.51 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 2k40 h LEU 56 Cb 0.35 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2k40 h LEU 56 CO -0.16 0.83 -0.16 0.50 -0.62 0.00 0.00 178.44 178.83 2k40 h LYS 57 N -0.01 0.00 0.00 1.25 3.64 -0.74 -3.46 116.57 117.25 2k40 h LYS 57 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2k40 h LYS 57 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2k40 h LYS 57 CO 0.04 0.16 0.00 -2.13 -2.27 0.00 0.00 179.45 175.25 2k40 n ARG 58 N -4.16 0.00 -2.14 1.90 0.63 0.31 -4.77 116.66 108.43 2k40 n ARG 58 Ca -0.02 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.76 2k40 n ARG 58 Cb 0.23 -0.09 -0.02 0.00 0.45 0.00 0.00 32.46 33.03 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2k40 n SER 59 N 0.00 -4.36 -4.50 6.15 2.88 -1.26 -4.96 113.62 107.57 2k40 n SER 59 Ca 0.00 0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 57.45 2k40 n SER 59 Cb 0.00 -3.76 0.18 0.00 -0.75 0.00 0.00 64.21 59.88 2k40 n SER 59 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2k40 s HIS 60 N -2.61 1.85 -0.10 0.66 5.04 -1.26 -5.09 115.29 113.79 2k40 s HIS 60 Ca 0.00 0.80 0.02 0.00 -1.54 0.00 0.00 55.06 54.34 2k40 s HIS 60 Cb 0.00 -3.39 0.01 0.00 0.04 0.00 0.00 32.58 29.24 2k40 s HIS 60 CO 0.00 -2.96 -0.15 1.03 -2.34 0.00 0.00 174.74 170.33 2k40 s ARG 61 N -5.20 2.10 0.55 2.88 1.81 -1.26 -5.08 118.95 114.75 2k40 s ARG 61 Ca 0.67 -0.53 0.00 0.00 -1.72 0.00 0.00 55.73 54.15 2k40 s ARG 61 Cb -0.15 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 2k40 s ARG 61 CO 0.56 -0.03 0.00 0.39 -0.68 0.00 0.00 175.30 175.53 2k40 n GLU 62 N 4.09 -0.96 -3.71 3.54 1.02 -1.26 -5.07 120.64 118.30 2k40 n GLU 62 Ca -0.20 0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 57.55 2k40 n GLU 62 Cb 0.51 -1.17 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 2k40 n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k40 s SER 63 N -4.24 -0.14 0.01 1.62 0.15 -1.26 -5.17 113.70 104.66 2k40 s SER 63 Ca 0.00 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 2k40 s SER 63 Cb 0.00 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 2k40 s SER 63 CO 0.00 -0.71 -0.01 0.00 1.20 0.00 0.00 173.24 173.72 2k40 s GLN 64 N -3.01 0.14 0.36 5.44 -2.07 -1.26 -5.18 119.66 114.07 2k40 s GLN 64 Ca 0.13 -0.25 -0.07 0.00 -1.82 0.00 0.00 55.36 53.34 2k40 s GLN 64 Cb 0.01 0.05 0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2k40 s GLN 64 CO 0.00 -0.02 0.59 0.12 -1.32 0.00 0.00 175.29 174.65 2k40 s PHE 65 N -0.62 0.75 0.15 9.60 5.36 -1.26 -5.20 117.98 126.76 2k40 s PHE 65 Ca -0.07 -1.13 0.00 0.00 -0.96 0.00 0.00 56.93 54.77 2k40 s PHE 65 Cb -0.04 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 2k40 s PHE 65 CO -0.00 -1.29 0.00 -0.11 -1.46 0.00 0.00 175.22 172.36 2k40 n LEU 66 N -0.56 0.00 0.00 6.12 7.94 -1.26 -5.39 117.00 123.85 2k40 n LEU 66 Ca -0.02 -0.93 0.00 0.00 -1.11 0.00 0.00 56.01 53.95 2k40 n LEU 66 Cb 0.61 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.66 2k40 n LEU 66 CO 0.29 -0.14 0.15 0.23 -1.11 0.00 0.00 177.39 176.80