#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 1.89 -0.19 1.61 0.52 -1.26 -4.90 118.95 116.63 2k40 s ARG 2 Ca 0.00 0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 55.31 2k40 s ARG 2 Cb 0.00 -4.87 0.05 0.00 0.52 0.00 0.00 34.95 30.65 2k40 s ARG 2 CO 0.00 -4.13 0.48 0.50 0.02 0.00 0.00 175.30 172.17 2k40 s ARG 3 N 8.31 0.52 -0.60 3.54 3.52 -1.26 -5.08 118.95 127.90 2k40 s ARG 3 Ca 0.85 0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 57.16 2k40 s ARG 3 Cb -0.11 0.16 -0.17 0.00 -1.56 0.00 0.00 34.95 33.27 2k40 s ARG 3 CO 0.05 -0.11 2.99 -0.35 -0.81 0.00 0.00 175.30 177.08 2k40 n PRO 4 N 3.47 2.36 -3.71 5.12 -0.04 -1.26 -4.73 135.00 136.22 2k40 n PRO 4 Ca -0.17 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 61.83 2k40 n PRO 4 Cb 0.56 -2.26 -0.12 0.00 -0.04 0.00 0.00 33.50 31.65 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 1.82 0.29 -0.01 0.54 3.52 -1.26 -5.04 118.95 118.80 2k40 s ARG 5 Ca 0.59 0.67 0.09 0.00 -0.13 0.00 0.00 55.73 56.94 2k40 s ARG 5 Cb 0.22 -0.06 -0.12 0.00 -1.56 0.00 0.00 34.95 33.44 2k40 s ARG 5 CO -0.02 -0.17 0.26 2.41 -0.81 0.00 0.00 175.30 176.96 2k40 n THR 6 N 4.34 0.00 -1.86 4.11 -1.04 -1.26 -4.86 114.28 113.70 2k40 n THR 6 Ca -0.23 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.05 61.26 2k40 n THR 6 Cb 0.54 0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 69.58 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 -2.27 1.54 1.00 2.41 0.00 -1.26 -4.90 121.76 118.28 2k40 s ALA 7 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2k40 s ALA 7 Cb 0.06 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2k40 s ALA 7 CO 0.35 -4.82 0.00 1.19 0.00 0.00 0.00 175.76 172.48 2k40 n PHE 8 N 15.12 -2.12 -2.16 0.00 3.72 -1.26 -5.03 117.46 125.72 2k40 n PHE 8 Ca 0.37 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.36 2k40 n PHE 8 Cb 0.48 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 -0.74 2.82 0.45 4.37 -1.32 -1.26 -4.89 115.64 115.07 2k40 s THR 9 Ca 0.00 0.80 0.15 0.00 -1.21 0.00 0.00 61.69 61.44 2k40 s THR 9 Cb 0.00 -3.50 0.33 0.00 -1.51 0.00 0.00 72.50 67.82 2k40 s THR 9 CO 0.00 0.17 2.00 -0.61 -2.21 0.00 0.00 174.62 173.97 2k40 h GLN 10 N 3.25 0.31 -0.33 7.08 4.15 -1.98 -0.75 115.11 126.84 2k40 h GLN 10 Ca -0.49 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 2k40 h GLN 10 Cb 1.23 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 2k40 h GLN 10 CO 0.65 0.21 0.11 -0.91 -1.93 0.00 0.00 178.83 176.95 2k40 h ASN 11 N 0.32 0.42 0.07 -0.69 2.35 -1.98 0.43 115.58 116.49 2k40 h ASN 11 Ca 0.25 -0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.68 2k40 h ASN 11 Cb 0.55 -0.11 0.03 0.00 0.05 0.00 0.00 38.32 38.83 2k40 h ASN 11 CO -0.06 0.40 -1.10 -0.61 -1.65 0.00 0.00 177.43 174.41 2k40 h GLN 12 N 0.46 0.62 0.44 0.81 4.15 -1.56 -3.13 115.11 116.90 2k40 h GLN 12 Ca 0.11 -0.76 -0.01 0.00 0.77 0.00 0.00 58.65 58.76 2k40 h GLN 12 Cb 0.13 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2k40 h GLN 12 CO -0.01 1.33 -0.32 0.82 -1.93 0.00 0.00 178.83 178.72 2k40 h ILE 13 N 0.25 0.33 0.00 2.39 1.08 -1.01 -1.28 117.51 119.28 2k40 h ILE 13 Ca -0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2k40 h ILE 13 Cb 1.78 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2k40 h ILE 13 CO 0.21 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.05 2k40 n GLU 14 N -5.45 0.03 -0.07 2.37 -0.58 0.11 -0.09 120.64 116.95 2k40 n GLU 14 Ca -0.11 0.31 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 2k40 n GLU 14 Cb 0.35 -1.55 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 2k40 n GLU 14 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k40 h VAL 15 N 0.00 1.24 -0.29 2.62 2.07 -1.48 -3.25 116.25 117.17 2k40 h VAL 15 Ca 0.00 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.53 2k40 h VAL 15 Cb 0.23 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 2k40 h VAL 15 CO 0.00 0.42 0.10 -0.07 0.02 0.00 0.00 177.57 178.04 2k40 h LEU 16 N -1.00 0.11 -1.13 2.57 3.38 -0.13 -2.04 115.31 117.08 2k40 h LEU 16 Ca -0.06 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2k40 h LEU 16 Cb 0.86 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2k40 h LEU 16 CO -0.04 0.10 0.60 -0.33 0.09 0.00 0.00 178.44 178.86 2k40 h GLU 17 N 0.23 1.07 -0.25 1.13 4.39 -0.72 -0.22 114.58 120.21 2k40 h GLU 17 Ca 0.13 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2k40 h GLU 17 Cb 0.09 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2k40 h GLU 17 CO -0.13 0.71 0.14 -0.91 -1.16 0.00 0.00 179.01 177.66 2k40 h ASN 18 N 1.11 0.29 0.03 1.42 2.35 -1.43 0.47 115.58 119.83 2k40 h ASN 18 Ca 0.37 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2k40 h ASN 18 Cb 0.08 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k40 h ASN 18 CO -0.12 0.24 -0.02 0.58 -1.65 0.00 0.00 177.43 176.46 2k40 h VAL 19 N 0.34 1.38 -0.45 2.81 2.07 -0.70 -3.28 116.25 118.42 2k40 h VAL 19 Ca 0.09 -1.45 0.13 0.00 0.82 0.00 0.00 66.70 66.29 2k40 h VAL 19 Cb 0.00 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2k40 h VAL 19 CO -0.02 0.36 0.35 0.15 0.02 0.00 0.00 177.57 178.44 2k40 h PHE 20 N -0.70 0.00 0.39 1.57 3.57 -0.77 0.12 116.94 121.11 2k40 h PHE 20 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k40 h PHE 20 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2k40 h PHE 20 CO 0.14 0.00 -0.31 0.00 -2.23 0.00 0.00 178.31 175.91 2k40 h ARG 21 N 0.00 -0.65 -0.11 1.11 3.08 -1.00 -3.08 114.38 113.73 2k40 h ARG 21 Ca 0.21 0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2k40 h ARG 21 Cb 0.92 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2k40 h ARG 21 CO -0.00 -0.43 -0.66 -0.39 -1.07 0.00 0.00 179.97 177.41 2k40 h VAL 22 N -0.68 1.36 -2.78 2.04 -1.51 -1.31 -3.41 116.25 109.95 2k40 h VAL 22 Ca -0.05 -2.01 -0.44 0.00 -1.23 0.00 0.00 66.70 62.97 2k40 h VAL 22 Cb 0.57 2.00 -0.39 0.00 -2.13 0.00 0.00 31.29 31.33 2k40 h VAL 22 CO 0.00 0.61 -0.72 0.54 -1.23 0.00 0.00 177.57 176.77 2k40 s ASN 23 N -6.95 2.42 0.54 4.19 2.20 -0.08 -5.02 114.94 112.25 2k40 s ASN 23 Ca -0.06 -0.74 0.26 0.00 -0.94 0.00 0.00 52.86 51.38 2k40 s ASN 23 Cb 0.11 -0.08 1.55 0.00 -2.00 0.00 0.00 41.25 40.83 2k40 s ASN 23 CO 0.84 -0.37 2.16 0.00 -2.94 0.00 0.00 177.10 176.78 2k40 s TYR 25 N -4.55 3.28 1.06 0.00 2.02 -1.26 -4.95 117.35 112.94 2k40 s TYR 25 Ca -0.04 -2.90 -0.12 0.00 -0.37 0.00 0.00 57.07 53.64 2k40 s TYR 25 Cb 0.15 -2.71 0.22 0.00 -0.40 0.00 0.00 41.96 39.22 2k40 s TYR 25 CO 0.59 -0.87 1.07 -2.14 -1.57 0.00 0.00 175.55 172.63 2k40 s PRO 26 N 0.58 -0.07 0.80 -1.71 0.02 -1.24 -5.07 135.00 128.31 2k40 s PRO 26 Ca 0.13 1.01 -0.12 0.00 0.02 0.00 0.00 61.00 62.05 2k40 s PRO 26 Cb -0.21 -1.64 0.07 0.00 0.02 0.00 0.00 34.50 32.74 2k40 s PRO 26 CO -0.07 -3.20 1.10 0.20 -0.33 0.00 0.00 177.00 174.70 2k40 s GLY 27 N -2.72 1.62 0.42 0.52 0.00 -1.26 -4.92 107.32 100.98 2k40 s GLY 27 Ca 0.67 -0.25 0.10 0.00 0.00 0.00 0.00 44.72 45.24 2k40 s GLY 27 CO 0.61 0.18 2.00 -2.22 0.00 0.00 0.00 173.10 173.68 2k40 h ILE 28 N -1.08 1.12 0.00 0.90 1.08 -1.99 -1.83 117.51 115.71 2k40 h ILE 28 Ca -0.47 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 63.51 2k40 h ILE 28 Cb 1.27 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 2k40 h ILE 28 CO 0.60 0.15 -0.26 0.44 -0.69 0.00 0.00 178.15 178.39 2k40 h ASP 29 N 0.30 0.00 0.34 1.72 5.19 -1.97 0.24 116.42 122.24 2k40 h ASP 29 Ca 0.07 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.16 2k40 h ASP 29 Cb 0.16 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.70 2k40 h ASP 29 CO -0.00 0.26 -1.46 0.40 -3.12 0.00 0.00 179.24 175.32 2k40 h ILE 30 N 0.00 1.30 -0.57 0.35 2.04 -1.73 0.12 117.51 119.01 2k40 h ILE 30 Ca -0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 64.86 63.06 2k40 h ILE 30 Cb 0.48 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 2k40 h ILE 30 CO 0.03 0.83 0.24 -0.07 0.00 0.00 0.00 178.15 179.19 2k40 h LEU 31 N 0.13 0.78 0.39 1.44 3.38 -1.07 -0.39 115.31 119.96 2k40 h LEU 31 Ca -0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k40 h LEU 31 Cb 2.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 2k40 h LEU 31 CO 0.25 0.72 -0.30 -0.33 0.09 0.00 0.00 178.44 178.88 2k40 h GLU 32 N 0.78 -0.66 -0.95 1.13 5.08 -0.60 -1.34 114.58 118.02 2k40 h GLU 32 Ca 0.19 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2k40 h GLU 32 Cb 0.18 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2k40 h GLU 32 CO -0.02 -0.44 0.61 0.22 -1.00 0.00 0.00 179.01 178.39 2k40 h ASP 33 N -0.68 0.89 0.38 1.42 3.58 -0.55 0.22 116.42 121.67 2k40 h ASP 33 Ca -0.03 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k40 h ASP 33 Cb 0.59 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k40 h ASP 33 CO -0.00 0.51 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.61 2k40 h LEU 34 N 0.97 -0.45 -0.04 2.28 3.38 -1.08 -0.39 115.31 119.98 2k40 h LEU 34 Ca 0.45 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.47 2k40 h LEU 34 Cb 0.41 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2k40 h LEU 34 CO -0.21 -0.31 -0.35 0.00 0.09 0.00 0.00 178.44 177.66 2k40 h ALA 35 N 0.11 -0.50 -0.99 1.53 0.00 -0.03 0.12 119.26 119.50 2k40 h ALA 35 Ca -0.05 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2k40 h ALA 35 Cb 0.40 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2k40 h ALA 35 CO 0.08 -0.86 0.62 1.96 0.00 0.00 0.00 179.25 181.04 2k40 h GLN 36 N -0.48 0.96 0.00 0.00 1.08 -0.62 -0.40 115.11 115.66 2k40 h GLN 36 Ca 0.07 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 2k40 h GLN 36 Cb 0.59 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2k40 h GLN 36 CO -0.31 0.64 -0.94 0.87 -0.95 0.00 0.00 178.83 178.14 2k40 h LYS 37 N 0.99 0.00 0.00 1.46 1.79 -0.71 -3.39 116.57 116.71 2k40 h LYS 37 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 2k40 h LYS 37 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2k40 h LYS 37 CO -0.26 0.61 -1.87 1.28 -1.08 0.00 0.00 179.45 178.13 2k40 n LEU 38 N -3.18 0.03 -2.39 2.94 4.77 0.39 -5.01 117.00 114.56 2k40 n LEU 38 Ca -0.03 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.74 2k40 n LEU 38 Cb 0.85 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2k40 n LEU 38 CO 0.43 0.01 -0.13 0.59 -1.33 0.00 0.00 177.39 176.96 2k40 n ASN 39 N -2.16 -5.50 -4.90 -1.43 5.03 -0.19 -5.06 115.26 101.05 2k40 n ASN 39 Ca -0.03 -0.13 -0.23 0.00 0.87 0.00 0.00 54.58 55.06 2k40 n ASN 39 Cb 0.51 -4.46 0.06 0.00 -1.02 0.00 0.00 39.78 34.87 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2k40 s LEU 40 N -5.64 3.10 0.36 3.41 1.43 -1.24 -4.98 118.68 115.12 2k40 s LEU 40 Ca 0.13 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2k40 s LEU 40 Cb -0.06 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2k40 s LEU 40 CO 0.16 -1.41 0.53 -1.83 0.23 0.00 0.00 176.35 174.03 2k40 s GLU 41 N -4.96 3.18 0.24 1.70 1.03 -1.26 -4.53 118.70 114.10 2k40 s GLU 41 Ca 0.60 -0.72 -0.13 0.00 0.03 0.00 0.00 54.97 54.74 2k40 s GLU 41 Cb -0.09 -2.72 0.32 0.00 -0.80 0.00 0.00 34.13 30.83 2k40 s GLU 41 CO 0.41 0.01 1.57 1.25 -1.33 0.00 0.00 175.26 177.17 2k40 h LEU 42 N 0.74 -1.06 0.04 1.83 7.12 -1.96 -2.70 115.31 119.33 2k40 h LEU 42 Ca -0.47 0.28 0.03 0.00 0.13 0.00 0.00 57.88 57.84 2k40 h LEU 42 Cb 1.25 0.62 -0.05 0.00 -0.53 0.00 0.00 40.66 41.95 2k40 h LEU 42 CO 0.56 -0.30 -0.32 -0.78 -0.13 0.00 0.00 178.44 177.48 2k40 h ASP 43 N -0.02 -0.94 -0.14 1.25 3.58 -1.97 0.24 116.42 118.42 2k40 h ASP 43 Ca 0.38 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.88 2k40 h ASP 43 Cb 0.63 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2k40 h ASP 43 CO -0.92 -0.39 -0.12 0.03 -2.88 0.00 0.00 179.24 174.97 2k40 h ARG 44 N -0.49 0.49 -0.26 0.28 3.08 -1.91 0.14 114.38 115.71 2k40 h ARG 44 Ca 0.05 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 2k40 h ARG 44 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2k40 h ARG 44 CO -0.24 0.61 -0.48 0.82 -1.07 0.00 0.00 179.97 179.61 2k40 h ILE 45 N 0.46 1.29 0.17 2.04 2.04 -1.22 -1.14 117.51 121.15 2k40 h ILE 45 Ca 0.09 -1.67 0.01 0.00 1.00 0.00 0.00 64.86 64.28 2k40 h ILE 45 Cb 0.48 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2k40 h ILE 45 CO 0.03 0.54 -0.19 1.56 0.00 0.00 0.00 178.15 180.08 2k40 h GLN 46 N 0.54 -0.40 -0.75 2.37 1.08 -0.18 0.51 115.11 118.28 2k40 h GLN 46 Ca 0.01 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2k40 h GLN 46 Cb 1.08 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 2k40 h GLN 46 CO 0.11 -0.26 0.43 0.82 -0.95 0.00 0.00 178.83 178.97 2k40 h ILE 47 N -0.41 0.95 0.37 2.54 2.04 -1.03 0.27 117.51 122.25 2k40 h ILE 47 Ca 0.01 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2k40 h ILE 47 Cb 0.40 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2k40 h ILE 47 CO -0.06 0.14 -0.35 -0.25 0.00 0.00 0.00 178.15 177.63 2k40 h TRP 48 N 0.75 -0.94 -0.28 1.37 7.01 -0.81 -0.26 115.95 122.80 2k40 h TRP 48 Ca 0.35 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.39 2k40 h TRP 48 Cb 0.26 0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 27.65 2k40 h TRP 48 CO -0.07 -0.50 0.06 0.74 -2.79 0.00 0.00 178.44 175.88 2k40 h PHE 49 N -0.74 0.10 -0.47 2.65 -1.00 -0.40 -0.35 116.94 116.72 2k40 h PHE 49 Ca -0.03 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2k40 h PHE 49 Cb 0.66 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.20 2k40 h PHE 49 CO -0.19 0.03 0.19 1.96 -1.61 0.00 0.00 178.31 178.69 2k40 h GLN 50 N 0.16 0.70 -0.38 1.51 1.08 -0.96 -1.70 115.11 115.52 2k40 h GLN 50 Ca 0.13 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2k40 h GLN 50 Cb 0.13 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2k40 h GLN 50 CO -0.17 0.62 0.09 -0.91 -0.95 0.00 0.00 178.83 177.52 2k40 h ASN 51 N 0.62 0.51 0.27 1.46 2.35 -0.69 0.14 115.58 120.22 2k40 h ASN 51 Ca 0.16 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2k40 h ASN 51 Cb 0.18 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2k40 h ASN 51 CO -0.01 0.52 -0.23 0.03 -1.65 0.00 0.00 177.43 176.08 2k40 h ARG 52 N 0.54 -0.47 -0.89 0.81 -0.00 -0.64 -1.80 114.38 111.93 2k40 h ARG 52 Ca 0.13 0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.69 2k40 h ARG 52 Cb 0.22 0.11 -0.06 0.00 0.00 0.00 0.00 29.97 30.24 2k40 h ARG 52 CO -0.00 -0.31 0.57 0.07 0.00 0.00 0.00 179.97 180.29 2k40 h ARG 53 N -0.49 1.04 0.00 0.04 0.11 -1.26 -0.28 114.38 113.54 2k40 h ARG 53 Ca -0.03 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2k40 h ARG 53 Cb 0.42 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2k40 h ARG 53 CO -0.01 0.69 0.00 0.00 0.10 0.00 0.00 179.97 180.75 2k40 n ALA 54 N -2.35 1.25 -0.51 0.08 0.00 0.03 -3.04 120.51 115.97 2k40 n ALA 54 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k40 n ALA 54 Cb 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2k40 n ALA 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k40 n LYS 55 N -1.48 1.02 0.05 0.00 4.81 -0.42 -4.91 118.16 117.22 2k40 n LYS 55 Ca 0.01 -0.82 -0.13 0.00 -0.87 0.00 0.00 58.31 56.50 2k40 n LYS 55 Cb 0.06 -0.74 -0.07 0.00 0.02 0.00 0.00 35.03 34.29 2k40 n LYS 55 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k40 h LEU 56 N 0.00 -1.32 -0.40 3.14 5.85 -1.02 0.74 115.31 122.30 2k40 h LEU 56 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2k40 h LEU 56 Cb 0.64 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2k40 h LEU 56 CO 0.00 -0.46 0.00 2.29 -0.34 0.00 0.00 178.44 179.93 2k40 n LYS 57 N -5.45 0.34 -0.39 1.25 2.85 -1.26 -1.66 118.16 113.84 2k40 n LYS 57 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2k40 n LYS 57 Cb 0.37 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.69 2k40 n LYS 57 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2k40 n ARG 58 N -0.16 0.06 -2.90 -1.58 0.63 0.13 -5.03 116.66 107.81 2k40 n ARG 58 Ca 0.00 -0.95 -0.43 0.00 -0.92 0.00 0.00 57.85 55.55 2k40 n ARG 58 Cb 0.03 -0.53 0.01 0.00 0.45 0.00 0.00 32.46 32.42 2k40 n ARG 58 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2k40 n SER 59 N -0.04 5.88 -2.28 6.15 7.64 -0.47 -4.94 113.62 125.56 2k40 n SER 59 Ca 0.00 -3.25 -0.07 0.00 1.01 0.00 0.00 58.87 56.56 2k40 n SER 59 Cb 0.66 -1.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.41 2k40 n SER 59 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k40 n HIS 60 N 2.47 0.07 -0.73 1.43 8.25 -1.26 -3.13 115.22 122.32 2k40 n HIS 60 Ca 0.30 -0.88 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 2k40 n HIS 60 Cb 0.36 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.38 2k40 n HIS 60 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2k40 n ARG 61 N 2.80 -0.05 -1.42 -0.41 0.00 -1.26 -5.07 116.66 111.25 2k40 n ARG 61 Ca 0.25 -0.26 -0.31 0.00 -0.00 0.00 0.00 57.85 57.52 2k40 n ARG 61 Cb 0.48 -0.64 0.07 0.00 0.00 0.00 0.00 32.46 32.38 2k40 n ARG 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2k40 s GLU 62 N -0.06 2.61 -0.16 -0.14 2.12 -1.18 -5.02 118.70 116.87 2k40 s GLU 62 Ca 0.00 1.06 0.19 0.00 0.36 0.00 0.00 54.97 56.58 2k40 s GLU 62 Cb 0.00 -1.94 0.39 0.00 0.26 0.00 0.00 34.13 32.84 2k40 s GLU 62 CO 0.00 -1.37 1.19 0.43 -0.54 0.00 0.00 175.26 174.98 2k40 n SER 63 N -3.31 0.46 -0.00 -1.70 7.64 -1.26 -5.00 113.62 110.44 2k40 n SER 63 Ca 0.08 -2.05 -0.00 0.00 1.01 0.00 0.00 58.87 57.91 2k40 n SER 63 Cb 0.53 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2k40 n SER 63 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k40 h GLN 64 N 1.44 -0.03 0.00 1.43 5.75 -2.03 -3.50 115.11 118.18 2k40 h GLN 64 Ca -0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2k40 h GLN 64 Cb 1.49 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.04 2k40 h GLN 64 CO 0.02 -0.02 0.00 0.34 -2.65 0.00 0.00 178.83 176.52 2k40 n PHE 65 N -2.90 0.00 -3.47 3.99 7.35 -1.26 -5.18 117.46 115.99 2k40 n PHE 65 Ca -0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.58 2k40 n PHE 65 Cb 0.01 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.82 2k40 n PHE 65 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2k40 s LEU 66 N -1.68 -0.48 0.00 -2.13 2.96 -1.26 -5.21 118.68 110.88 2k40 s LEU 66 Ca 0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2k40 s LEU 66 Cb 0.00 2.43 0.00 0.00 0.50 0.00 0.00 46.19 49.12 2k40 s LEU 66 CO 0.00 -0.88 0.00 0.80 -1.32 0.00 0.00 176.35 174.95