#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 0.68 -0.50 1.61 1.81 -1.26 -5.12 118.95 116.17 2k40 s ARG 2 Ca 0.00 0.81 0.05 0.00 -1.72 0.00 0.00 55.73 54.87 2k40 s ARG 2 Cb 0.00 0.33 0.39 0.00 -0.45 0.00 0.00 34.95 35.22 2k40 s ARG 2 CO 0.00 -0.08 1.07 -2.13 -0.68 0.00 0.00 175.30 173.48 2k40 n ARG 3 N 2.78 3.37 -1.27 3.54 0.63 -1.26 -4.97 116.66 119.49 2k40 n ARG 3 Ca -0.14 -4.62 -0.24 0.00 -0.92 0.00 0.00 57.85 51.94 2k40 n ARG 3 Cb 0.56 -2.25 0.18 0.00 0.45 0.00 0.00 32.46 31.40 2k40 n ARG 3 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2k40 n PRO 4 N -0.40 -1.66 -4.61 -0.14 -0.04 -1.26 -5.10 135.00 121.78 2k40 n PRO 4 Ca 0.37 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.94 2k40 n PRO 4 Cb 0.56 -1.18 -0.16 0.00 -0.04 0.00 0.00 33.50 32.69 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 -5.20 3.11 -0.01 0.54 3.00 -1.26 -4.95 118.95 114.19 2k40 s ARG 5 Ca 0.59 -0.81 0.01 0.00 -1.00 0.00 0.00 55.73 54.53 2k40 s ARG 5 Cb -0.03 -2.52 -0.00 0.00 0.00 0.00 0.00 34.95 32.40 2k40 s ARG 5 CO 0.43 0.00 -0.05 0.99 0.00 0.00 0.00 175.30 176.67 2k40 s THR 6 N 0.81 0.39 0.30 4.11 2.01 -1.26 -5.11 115.64 116.89 2k40 s THR 6 Ca -0.06 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 2k40 s THR 6 Cb -0.15 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.01 2k40 s THR 6 CO -0.01 0.12 0.49 0.00 -0.69 0.00 0.00 174.62 174.53 2k40 s ALA 7 N 0.02 0.26 0.00 7.40 0.00 -1.26 -4.60 121.76 123.59 2k40 s ALA 7 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2k40 s ALA 7 Cb -0.04 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.17 2k40 s ALA 7 CO -0.00 -0.82 0.00 1.19 0.00 0.00 0.00 175.76 176.12 2k40 n PHE 8 N -0.48 0.00 -2.36 0.00 3.72 -1.26 -5.13 117.46 111.95 2k40 n PHE 8 Ca -0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 2k40 n PHE 8 Cb 0.62 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.63 3.59 0.29 4.37 -1.32 -1.26 -4.91 115.64 115.77 2k40 s THR 9 Ca 0.00 0.94 0.05 0.00 -1.21 0.00 0.00 61.69 61.47 2k40 s THR 9 Cb 0.00 -3.38 0.05 0.00 -1.51 0.00 0.00 72.50 67.66 2k40 s THR 9 CO 0.00 -0.26 1.71 -0.61 -2.21 0.00 0.00 174.62 173.25 2k40 h GLN 10 N 1.23 0.33 0.00 7.08 4.15 -2.01 -1.50 115.11 124.39 2k40 h GLN 10 Ca -0.49 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 58.79 2k40 h GLN 10 Cb 1.23 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2k40 h GLN 10 CO 0.58 0.65 0.00 -1.71 -1.93 0.00 0.00 178.83 176.41 2k40 n ASN 11 N -4.07 0.73 -0.06 -0.69 2.85 -1.26 -0.76 115.26 112.01 2k40 n ASN 11 Ca -0.01 0.66 -0.14 0.00 -0.11 0.00 0.00 54.58 54.98 2k40 n ASN 11 Cb 0.45 -0.82 -0.12 0.00 1.24 0.00 0.00 39.78 40.53 2k40 n ASN 11 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2k40 h GLN 12 N 0.00 -0.00 -0.58 1.20 4.15 -1.73 -3.36 115.11 114.79 2k40 h GLN 12 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 2k40 h GLN 12 Cb 0.44 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.02 2k40 h GLN 12 CO 0.00 0.91 -0.15 0.82 -1.93 0.00 0.00 178.83 178.49 2k40 h ILE 13 N -0.92 0.41 0.00 2.39 1.08 -0.88 -2.13 117.51 117.47 2k40 h ILE 13 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k40 h ILE 13 Cb 0.92 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2k40 h ILE 13 CO 0.00 0.00 -0.02 1.05 -0.69 0.00 0.00 178.15 178.49 2k40 h GLU 14 N -0.00 0.00 -0.28 2.37 4.11 -1.11 0.40 114.58 120.06 2k40 h GLU 14 Ca 0.28 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.61 2k40 h GLU 14 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2k40 h GLU 14 CO -0.60 0.02 -0.21 0.28 0.07 0.00 0.00 179.01 178.57 2k40 h VAL 15 N 0.00 1.30 -0.22 -1.06 2.07 -1.52 -0.78 116.25 116.04 2k40 h VAL 15 Ca -0.00 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 2k40 h VAL 15 Cb 0.04 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2k40 h VAL 15 CO 0.00 0.43 0.01 -0.07 0.02 0.00 0.00 177.57 177.96 2k40 h LEU 16 N 0.38 0.37 -0.54 2.57 4.07 -1.28 -2.49 115.31 118.40 2k40 h LEU 16 Ca 0.05 -0.29 0.09 0.00 0.08 0.00 0.00 57.88 57.82 2k40 h LEU 16 Cb 0.75 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 2k40 h LEU 16 CO 0.06 0.57 0.11 -0.33 -1.08 0.00 0.00 178.44 177.76 2k40 h GLU 17 N 0.16 0.24 0.00 1.13 4.39 -0.98 0.10 114.58 119.62 2k40 h GLU 17 Ca 0.06 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2k40 h GLU 17 Cb 0.37 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k40 h GLU 17 CO 0.01 0.16 -0.17 -0.91 -1.16 0.00 0.00 179.01 176.94 2k40 h ASN 18 N 0.25 0.00 -0.14 1.42 2.35 -1.08 -0.81 115.58 117.57 2k40 h ASN 18 Ca 0.27 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2k40 h ASN 18 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2k40 h ASN 18 CO -0.35 0.17 -0.35 0.58 -1.65 0.00 0.00 177.43 175.82 2k40 h VAL 19 N 0.00 1.36 -0.82 2.81 2.07 -0.91 -3.35 116.25 117.42 2k40 h VAL 19 Ca -0.00 -1.63 0.09 0.00 0.82 0.00 0.00 66.70 65.98 2k40 h VAL 19 Cb 0.36 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2k40 h VAL 19 CO 0.02 0.49 0.53 0.15 0.02 0.00 0.00 177.57 178.78 2k40 h PHE 20 N 0.09 0.85 0.00 1.57 3.57 0.26 0.16 116.94 123.44 2k40 h PHE 20 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k40 h PHE 20 Cb 0.96 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2k40 h PHE 20 CO 0.10 0.41 0.00 2.89 -2.23 0.00 0.00 178.31 179.48 2k40 n ARG 21 N -4.51 0.49 -0.01 1.11 1.85 -0.42 -3.12 116.66 112.06 2k40 n ARG 21 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.98 2k40 n ARG 21 Cb 0.30 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.20 2k40 n ARG 21 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k40 n VAL 22 N -1.00 0.07 -3.68 8.89 0.31 -0.05 -4.96 118.33 117.90 2k40 n VAL 22 Ca 0.12 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.13 2k40 n VAL 22 Cb 0.06 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.20 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 -3.85 3.50 0.34 4.52 0.01 0.36 -4.99 114.94 114.83 2k40 s ASN 23 Ca -0.01 -2.70 0.07 0.00 -0.71 0.00 0.00 52.86 49.50 2k40 s ASN 23 Cb 0.00 -0.97 0.61 0.00 0.41 0.00 0.00 41.25 41.30 2k40 s ASN 23 CO 0.03 -0.25 1.83 0.00 -1.51 0.00 0.00 177.10 177.20 2k40 s TYR 25 N -4.62 2.92 0.96 0.00 2.02 -1.26 -4.86 117.35 112.51 2k40 s TYR 25 Ca -0.06 -3.01 -0.11 0.00 -0.37 0.00 0.00 57.07 53.52 2k40 s TYR 25 Cb 0.15 -2.53 0.17 0.00 -0.40 0.00 0.00 41.96 39.34 2k40 s TYR 25 CO 0.76 -0.72 1.11 -2.14 -1.57 0.00 0.00 175.55 172.99 2k40 s PRO 26 N -0.35 0.68 0.66 -1.71 0.02 -1.24 -5.06 135.00 128.01 2k40 s PRO 26 Ca 0.19 1.34 -0.10 0.00 0.02 0.00 0.00 61.00 62.45 2k40 s PRO 26 Cb -0.21 -1.70 0.01 0.00 0.02 0.00 0.00 34.50 32.61 2k40 s PRO 26 CO -0.03 -2.79 1.04 0.20 -0.33 0.00 0.00 177.00 175.08 2k40 s GLY 27 N -2.72 1.62 0.29 0.52 0.00 -1.26 -4.96 107.32 100.81 2k40 s GLY 27 Ca 0.67 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 2k40 s GLY 27 CO 0.59 -0.08 1.91 -2.22 0.00 0.00 0.00 173.10 173.31 2k40 h ILE 28 N -0.49 1.11 0.00 0.90 1.08 -1.99 -2.35 117.51 115.78 2k40 h ILE 28 Ca -0.45 -0.38 -0.11 0.00 -0.39 0.00 0.00 64.86 63.52 2k40 h ILE 28 Cb 1.25 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 2k40 h ILE 28 CO 0.63 0.20 -0.53 0.44 -0.69 0.00 0.00 178.15 178.20 2k40 h ASP 29 N 1.12 0.00 -0.19 1.72 5.19 -1.97 0.30 116.42 122.59 2k40 h ASP 29 Ca 0.39 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.73 2k40 h ASP 29 Cb 0.11 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 2k40 h ASP 29 CO -0.14 0.53 -0.17 0.40 -3.12 0.00 0.00 179.24 176.74 2k40 h ILE 30 N 0.00 1.33 -0.50 0.35 2.04 -1.83 -0.37 117.51 118.53 2k40 h ILE 30 Ca -0.01 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 2k40 h ILE 30 Cb 0.97 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2k40 h ILE 30 CO 0.07 0.40 0.16 -0.07 0.00 0.00 0.00 178.15 178.70 2k40 h LEU 31 N 0.11 0.73 -0.84 1.44 3.38 -1.08 -1.63 115.31 117.42 2k40 h LEU 31 Ca 0.03 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2k40 h LEU 31 Cb 0.70 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k40 h LEU 31 CO 0.04 0.74 -0.21 -0.33 0.09 0.00 0.00 178.44 178.77 2k40 h GLU 32 N 0.68 0.63 -0.40 1.13 4.39 -0.44 0.17 114.58 120.74 2k40 h GLU 32 Ca 0.16 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2k40 h GLU 32 Cb 0.27 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2k40 h GLU 32 CO -0.01 0.79 0.16 0.22 -1.16 0.00 0.00 179.01 179.02 2k40 h ASP 33 N 0.56 0.56 -0.27 1.42 3.58 -0.97 -0.51 116.42 120.78 2k40 h ASP 33 Ca 0.08 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2k40 h ASP 33 Cb 0.67 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2k40 h ASP 33 CO 0.05 0.58 0.13 -0.07 -2.88 0.00 0.00 179.24 177.05 2k40 h LEU 34 N 0.50 0.19 -0.03 2.28 3.38 -1.10 -0.31 115.31 120.23 2k40 h LEU 34 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2k40 h LEU 34 Cb 0.20 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2k40 h LEU 34 CO -0.01 0.14 -0.44 0.00 0.09 0.00 0.00 178.44 178.22 2k40 h ALA 35 N 1.14 -0.71 -0.59 1.53 0.00 -0.57 -0.16 119.26 119.91 2k40 h ALA 35 Ca 0.11 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2k40 h ALA 35 Cb 0.04 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2k40 h ALA 35 CO -0.08 -0.98 0.32 0.37 0.00 0.00 0.00 179.25 178.88 2k40 h GLN 36 N -0.58 0.60 0.00 0.00 5.75 -0.99 -1.35 115.11 118.54 2k40 h GLN 36 Ca 0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2k40 h GLN 36 Cb 0.66 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2k40 h GLN 36 CO -0.34 0.39 0.00 0.87 -2.65 0.00 0.00 178.83 177.10 2k40 h LYS 37 N 0.61 0.00 0.00 1.69 1.79 -0.70 -3.34 116.57 116.63 2k40 h LYS 37 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2k40 h LYS 37 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2k40 h LYS 37 CO -0.16 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.49 2k40 n LEU 38 N -2.43 0.62 -3.50 2.94 4.77 -0.10 -5.04 117.00 114.26 2k40 n LEU 38 Ca 0.04 -0.74 -0.21 0.00 -0.03 0.00 0.00 56.01 55.06 2k40 n LEU 38 Cb 0.35 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2k40 n LEU 38 CO 0.26 0.15 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.27 2k40 n ASN 39 N -0.24 -4.38 -4.23 -1.43 2.85 -0.53 -5.04 115.26 102.26 2k40 n ASN 39 Ca 0.00 -0.81 -0.16 0.00 -0.11 0.00 0.00 54.58 53.51 2k40 n ASN 39 Cb 0.02 -4.44 -0.11 0.00 1.24 0.00 0.00 39.78 36.50 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 -6.11 2.44 0.41 1.20 1.43 -1.04 -5.08 118.68 111.93 2k40 s LEU 40 Ca 0.29 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 2k40 s LEU 40 Cb -0.07 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.66 2k40 s LEU 40 CO 0.79 -0.23 0.79 -1.83 0.23 0.00 0.00 176.35 176.10 2k40 s GLU 41 N -3.02 3.82 0.27 1.70 1.03 -1.26 -4.43 118.70 116.81 2k40 s GLU 41 Ca 0.10 0.55 -0.04 0.00 0.03 0.00 0.00 54.97 55.61 2k40 s GLU 41 Cb -0.02 -2.36 0.55 0.00 -0.80 0.00 0.00 34.13 31.49 2k40 s GLU 41 CO 0.02 -0.04 1.60 1.25 -1.33 0.00 0.00 175.26 176.75 2k40 h LEU 42 N 1.33 -0.48 -1.19 1.83 7.12 -1.96 0.34 115.31 122.29 2k40 h LEU 42 Ca -0.47 0.24 -0.05 0.00 0.13 0.00 0.00 57.88 57.73 2k40 h LEU 42 Cb 1.19 0.44 -0.02 0.00 -0.53 0.00 0.00 40.66 41.73 2k40 h LEU 42 CO 0.64 -0.26 -0.00 0.44 -0.13 0.00 0.00 178.44 179.12 2k40 h ASP 43 N 0.05 0.52 -0.66 1.25 5.19 -1.98 0.42 116.42 121.21 2k40 h ASP 43 Ca 0.49 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.73 2k40 h ASP 43 Cb 0.90 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 2k40 h ASP 43 CO -0.81 0.59 0.17 0.03 -3.12 0.00 0.00 179.24 176.11 2k40 h ARG 44 N 0.53 1.07 -0.24 3.56 3.08 -1.32 0.14 114.38 121.20 2k40 h ARG 44 Ca 0.11 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2k40 h ARG 44 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2k40 h ARG 44 CO 0.01 0.94 -0.12 0.82 -1.07 0.00 0.00 179.97 180.55 2k40 h ILE 45 N 1.02 1.30 0.17 2.04 1.08 -1.15 0.06 117.51 122.03 2k40 h ILE 45 Ca 0.22 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.50 2k40 h ILE 45 Cb 0.34 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 2k40 h ILE 45 CO -0.00 0.37 -0.24 1.56 -0.69 0.00 0.00 178.15 179.15 2k40 h GLN 46 N 0.23 -0.46 -0.82 2.37 1.08 -0.77 0.36 115.11 117.11 2k40 h GLN 46 Ca 0.05 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 2k40 h GLN 46 Cb 0.63 0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 28.10 2k40 h GLN 46 CO 0.04 -0.31 0.49 0.82 -0.95 0.00 0.00 178.83 178.92 2k40 h ILE 47 N -0.48 0.98 0.36 2.54 5.03 -0.74 0.21 117.51 125.42 2k40 h ILE 47 Ca 0.02 -0.30 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 2k40 h ILE 47 Cb 0.47 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 2k40 h ILE 47 CO -0.10 0.16 -0.31 -0.25 -0.68 0.00 0.00 178.15 176.96 2k40 h TRP 48 N 0.86 -0.83 -0.18 1.37 7.01 -0.56 0.30 115.95 123.93 2k40 h TRP 48 Ca 0.37 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.37 2k40 h TRP 48 Cb 0.24 0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2k40 h TRP 48 CO -0.05 -0.45 0.10 0.74 -2.79 0.00 0.00 178.44 175.98 2k40 h PHE 49 N -0.68 0.25 -0.92 2.65 0.04 -0.55 -0.99 116.94 116.73 2k40 h PHE 49 Ca -0.03 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.76 2k40 h PHE 49 Cb 0.60 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.62 2k40 h PHE 49 CO -0.16 0.24 0.60 1.96 -0.60 0.00 0.00 178.31 180.35 2k40 h GLN 50 N 0.18 1.15 -0.68 1.51 1.08 -0.61 0.19 115.11 117.93 2k40 h GLN 50 Ca 0.06 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 2k40 h GLN 50 Cb 0.08 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 2k40 h GLN 50 CO -0.01 0.76 0.29 -0.91 -0.95 0.00 0.00 178.83 178.01 2k40 h ASN 51 N 1.18 0.90 0.23 1.46 2.35 -0.65 -0.04 115.58 121.00 2k40 h ASN 51 Ca 0.36 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2k40 h ASN 51 Cb -0.03 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2k40 h ASN 51 CO -0.11 0.79 -0.11 0.03 -1.65 0.00 0.00 177.43 176.38 2k40 h ARG 52 N 0.97 -0.30 -0.48 0.81 -0.00 -0.09 -0.28 114.38 115.02 2k40 h ARG 52 Ca 0.23 0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.67 2k40 h ARG 52 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 2k40 h ARG 52 CO -0.02 -0.07 0.05 -0.09 0.00 0.00 0.00 179.97 179.83 2k40 h ARG 53 N -0.48 0.76 0.72 0.04 1.12 -0.56 0.70 114.38 116.68 2k40 h ARG 53 Ca -0.03 -0.18 -0.03 0.00 -1.11 0.00 0.00 59.98 58.63 2k40 h ARG 53 Cb 0.36 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 2k40 h ARG 53 CO 0.05 0.74 -0.48 0.00 -3.11 0.00 0.00 179.97 177.17 2k40 h ALA 54 N 1.33 -1.24 -0.71 2.80 0.00 -1.03 -3.11 119.26 117.30 2k40 h ALA 54 Ca 0.15 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2k40 h ALA 54 Cb 0.37 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2k40 h ALA 54 CO 0.01 -1.21 0.31 -0.22 0.00 0.00 0.00 179.25 178.13 2k40 h LYS 55 N -1.13 0.48 0.44 0.00 1.63 -0.48 0.83 116.57 118.34 2k40 h LYS 55 Ca -0.10 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2k40 h LYS 55 Cb 0.92 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2k40 h LYS 55 CO 0.08 0.32 -0.25 1.25 -3.45 0.00 0.00 179.45 177.39 2k40 h LEU 56 N 0.49 -0.62 -0.73 5.20 6.46 -0.97 -3.11 115.31 122.03 2k40 h LEU 56 Ca 0.37 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.10 2k40 h LEU 56 Cb 0.49 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 2k40 h LEU 56 CO -0.34 -0.41 0.21 0.50 -0.62 0.00 0.00 178.44 177.79 2k40 h LYS 57 N -0.65 1.15 -2.40 1.25 3.64 -1.37 -3.50 116.57 114.69 2k40 h LYS 57 Ca -0.05 -0.26 0.26 0.00 -1.27 0.00 0.00 60.65 59.33 2k40 h LYS 57 Cb 0.53 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 2k40 h LYS 57 CO 0.07 0.99 -0.49 0.54 -2.27 0.00 0.00 179.45 178.29 2k40 n ARG 58 N -4.25 -2.04 -3.20 1.90 1.74 0.24 -4.88 116.66 106.17 2k40 n ARG 58 Ca 0.06 1.44 -0.21 0.00 -0.77 0.00 0.00 57.85 58.37 2k40 n ARG 58 Cb 0.24 -2.55 -0.07 0.00 -1.02 0.00 0.00 32.46 29.07 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k40 n SER 59 N -4.30 -0.98 -1.33 0.55 2.88 -1.26 -5.01 113.62 104.17 2k40 n SER 59 Ca -0.01 -2.59 0.16 0.00 -1.33 0.00 0.00 58.87 55.09 2k40 n SER 59 Cb 0.62 -0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 2k40 n SER 59 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k40 n HIS 60 N 2.45 -3.31 -3.03 0.66 -0.00 -1.26 -5.09 115.22 105.65 2k40 n HIS 60 Ca 0.25 1.43 0.04 0.00 -0.00 0.00 0.00 57.72 59.43 2k40 n HIS 60 Cb 0.51 -2.60 -0.01 0.00 -0.00 0.00 0.00 29.99 27.90 2k40 n HIS 60 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k40 n ARG 61 N -3.75 -0.55 -3.61 1.57 1.74 -1.26 -5.01 116.66 105.80 2k40 n ARG 61 Ca 0.01 0.36 -0.27 0.00 -0.77 0.00 0.00 57.85 57.18 2k40 n ARG 61 Cb 0.52 -0.66 0.04 0.00 -1.02 0.00 0.00 32.46 31.33 2k40 n ARG 61 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k40 n GLU 62 N -1.93 -1.28 -3.90 5.56 2.13 -1.26 -5.05 120.64 114.91 2k40 n GLU 62 Ca 0.00 0.61 -0.09 0.00 0.66 0.00 0.00 57.16 58.34 2k40 n GLU 62 Cb 0.12 -4.15 -0.06 0.00 0.27 0.00 0.00 31.44 27.62 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 -3.36 -0.03 0.13 4.31 0.15 -1.26 -5.15 113.70 108.48 2k40 s SER 63 Ca 0.38 -0.76 -0.30 0.00 0.70 0.00 0.00 55.95 55.96 2k40 s SER 63 Cb -0.13 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2k40 s SER 63 CO 0.85 -0.93 1.18 -1.58 1.20 0.00 0.00 173.24 173.96 2k40 s GLN 64 N -3.94 4.48 0.21 5.44 -0.44 -1.26 -5.03 119.66 119.12 2k40 s GLN 64 Ca 0.15 1.80 0.01 0.00 -2.50 0.00 0.00 55.36 54.82 2k40 s GLN 64 Cb 0.02 -3.29 -0.00 0.00 -1.64 0.00 0.00 33.01 28.09 2k40 s GLN 64 CO -0.01 -0.13 0.25 1.97 0.50 0.00 0.00 175.29 177.86 2k40 n PHE 65 N 3.12 -0.83 0.00 1.67 -1.74 -1.26 -5.10 117.46 113.32 2k40 n PHE 65 Ca 0.06 -1.53 0.00 0.00 -0.56 0.00 0.00 57.45 55.42 2k40 n PHE 65 Cb 0.46 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.73 2k40 n PHE 65 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 2k40 n LEU 66 N 0.00 0.00 0.00 5.98 7.94 -1.26 -5.31 117.00 124.35 2k40 n LEU 66 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2k40 n LEU 66 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2k40 n LEU 66 CO 0.18 0.00 0.00 0.23 -1.11 0.00 0.00 177.39 176.69