#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 0.44 0.05 1.61 3.52 -1.26 -5.13 118.95 118.18 2k40 s ARG 2 Ca 0.00 -0.55 -0.37 0.00 -0.13 0.00 0.00 55.73 54.67 2k40 s ARG 2 Cb 0.00 -1.76 -0.19 0.00 -1.56 0.00 0.00 34.95 31.44 2k40 s ARG 2 CO 0.00 -0.84 1.05 2.89 -0.81 0.00 0.00 175.30 177.59 2k40 n ARG 3 N 5.10 0.25 -2.02 5.12 1.85 -1.26 -4.87 116.66 120.83 2k40 n ARG 3 Ca -0.06 0.09 -0.42 0.00 -1.00 0.00 0.00 57.85 56.46 2k40 n ARG 3 Cb 0.45 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.28 2k40 n ARG 3 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k40 s PRO 4 N -0.08 4.16 0.23 2.89 0.04 -1.26 -4.50 135.00 136.48 2k40 s PRO 4 Ca 0.85 2.16 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2k40 s PRO 4 Cb -1.15 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 29.40 2k40 s PRO 4 CO 0.55 -0.87 0.00 -2.13 0.04 0.00 0.00 177.00 174.60 2k40 n ARG 5 N 7.15 -3.67 0.29 4.56 0.63 -1.26 -4.95 116.66 119.41 2k40 n ARG 5 Ca 0.17 2.68 -0.17 0.00 -0.92 0.00 0.00 57.85 59.61 2k40 n ARG 5 Cb 0.43 -2.88 -0.09 0.00 0.45 0.00 0.00 32.46 30.37 2k40 n ARG 5 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2k40 h THR 6 N 2.36 0.14 -3.73 5.15 2.02 -1.98 -3.50 112.91 113.37 2k40 h THR 6 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k40 h THR 6 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2k40 h THR 6 CO 0.00 0.00 -0.92 0.00 0.37 0.00 0.00 175.52 174.97 2k40 n ALA 7 N -2.72 -1.92 -3.51 6.16 0.00 -1.26 -5.09 120.51 112.17 2k40 n ALA 7 Ca -0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2k40 n ALA 7 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.34 0.00 -3.03 0.00 3.72 -1.26 -5.16 117.46 109.39 2k40 n PHE 8 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 2k40 n PHE 8 Cb 0.39 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.38 4.54 0.47 4.37 -1.32 -1.26 -4.97 115.64 116.08 2k40 s THR 9 Ca 0.00 1.26 0.15 0.00 -1.21 0.00 0.00 61.69 61.89 2k40 s THR 9 Cb 0.00 -3.75 0.31 0.00 -1.51 0.00 0.00 72.50 67.55 2k40 s THR 9 CO 0.00 -0.02 2.04 -0.61 -2.21 0.00 0.00 174.62 173.82 2k40 h GLN 10 N 2.75 0.26 -0.54 7.08 5.75 -2.01 0.36 115.11 128.76 2k40 h GLN 10 Ca -0.48 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.13 2k40 h GLN 10 Cb 1.18 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 2k40 h GLN 10 CO 0.65 0.17 0.37 -0.97 -2.65 0.00 0.00 178.83 176.40 2k40 h ASN 11 N 0.27 0.15 0.13 -0.69 -0.00 -2.00 -0.24 115.58 113.19 2k40 h ASN 11 Ca 0.18 0.01 -0.34 0.00 -0.00 0.00 0.00 56.30 56.15 2k40 h ASN 11 Cb 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 2k40 h ASN 11 CO -0.04 0.08 -1.79 -0.61 -0.00 0.00 0.00 177.43 175.07 2k40 h GLN 12 N 0.16 0.27 -0.56 6.67 4.15 -1.37 -3.37 115.11 121.05 2k40 h GLN 12 Ca 0.26 -0.46 0.11 0.00 0.77 0.00 0.00 58.65 59.33 2k40 h GLN 12 Cb 0.80 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.57 2k40 h GLN 12 CO -0.04 1.22 0.09 0.82 -1.93 0.00 0.00 178.83 178.99 2k40 h ILE 13 N -0.08 0.64 -0.63 2.39 1.08 -0.90 -2.76 117.51 117.25 2k40 h ILE 13 Ca -0.38 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.13 2k40 h ILE 13 Cb 1.94 0.40 -0.12 0.00 -3.07 0.00 0.00 36.82 35.97 2k40 h ILE 13 CO 0.08 0.04 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.04 2k40 h GLU 14 N 0.22 -0.04 -0.51 2.37 4.39 -1.21 0.31 114.58 120.11 2k40 h GLU 14 Ca 0.29 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 2k40 h GLU 14 Cb 0.43 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2k40 h GLU 14 CO -0.40 -0.03 -0.04 0.28 -1.16 0.00 0.00 179.01 177.67 2k40 h VAL 15 N -0.04 1.27 -0.25 3.13 2.07 -1.66 0.17 116.25 120.94 2k40 h VAL 15 Ca 0.29 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2k40 h VAL 15 Cb 0.50 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2k40 h VAL 15 CO -0.67 0.40 0.04 -0.07 0.02 0.00 0.00 177.57 177.30 2k40 h LEU 16 N 0.80 0.39 -0.91 2.57 3.38 -1.09 -2.24 115.31 118.20 2k40 h LEU 16 Ca 0.14 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2k40 h LEU 16 Cb 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k40 h LEU 16 CO 0.03 0.54 -0.10 -0.33 0.09 0.00 0.00 178.44 178.68 2k40 h GLU 17 N 0.22 0.69 -0.26 1.13 5.08 -0.40 -1.39 114.58 119.66 2k40 h GLU 17 Ca 0.08 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2k40 h GLU 17 Cb 0.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k40 h GLU 17 CO 0.00 0.77 0.17 -0.97 -1.00 0.00 0.00 179.01 177.99 2k40 h ASN 18 N 0.63 0.28 0.04 1.42 -1.24 -0.84 0.15 115.58 116.02 2k40 h ASN 18 Ca 0.11 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 2k40 h ASN 18 Cb 0.54 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.52 2k40 h ASN 18 CO 0.03 0.20 -0.02 0.58 -1.29 0.00 0.00 177.43 176.94 2k40 h VAL 19 N 0.33 1.35 -0.77 2.57 2.07 -1.05 -3.32 116.25 117.43 2k40 h VAL 19 Ca 0.09 -1.34 0.18 0.00 0.82 0.00 0.00 66.70 66.46 2k40 h VAL 19 Cb -0.02 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2k40 h VAL 19 CO -0.02 0.33 0.52 0.15 0.02 0.00 0.00 177.57 178.58 2k40 h PHE 20 N -0.65 0.33 0.00 1.57 3.57 -0.73 0.26 116.94 121.29 2k40 h PHE 20 Ca -0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k40 h PHE 20 Cb 0.58 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 2k40 h PHE 20 CO 0.12 0.11 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.22 2k40 h ARG 21 N 0.27 0.00 0.00 1.11 2.43 -0.81 -2.86 114.38 114.52 2k40 h ARG 21 Ca 0.38 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.32 2k40 h ARG 21 Cb 1.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2k40 h ARG 21 CO -0.09 0.00 -1.87 0.28 -1.51 0.00 0.00 179.97 176.78 2k40 n VAL 22 N -3.96 0.88 -3.74 0.20 0.31 -0.29 -4.86 118.33 106.87 2k40 n VAL 22 Ca -0.03 -0.37 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 2k40 n VAL 22 Cb 0.08 -0.98 -0.12 0.00 -0.91 0.00 0.00 33.84 31.91 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 -5.31 3.68 0.46 4.52 -0.87 -0.07 -4.99 114.94 112.36 2k40 s ASN 23 Ca -0.18 -3.12 0.20 0.00 -1.57 0.00 0.00 52.86 48.19 2k40 s ASN 23 Cb 0.05 -1.18 1.18 0.00 -0.02 0.00 0.00 41.25 41.28 2k40 s ASN 23 CO 0.38 -0.19 1.92 0.00 -2.57 0.00 0.00 177.10 176.64 2k40 s TYR 25 N -5.28 2.88 0.94 0.00 2.02 -1.26 -4.87 117.35 111.78 2k40 s TYR 25 Ca -0.07 -1.49 -0.14 0.00 -0.37 0.00 0.00 57.07 55.00 2k40 s TYR 25 Cb 0.21 -1.98 0.16 0.00 -0.40 0.00 0.00 41.96 39.95 2k40 s TYR 25 CO 0.76 -0.74 1.17 -1.25 -1.57 0.00 0.00 175.55 173.92 2k40 s PRO 26 N 1.33 0.91 0.78 -1.71 0.04 -1.19 -5.10 135.00 130.06 2k40 s PRO 26 Ca 0.04 0.13 -0.10 0.00 0.04 0.00 0.00 61.00 61.11 2k40 s PRO 26 Cb -0.14 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2k40 s PRO 26 CO -0.09 -2.32 1.12 0.20 0.04 0.00 0.00 177.00 175.95 2k40 s GLY 27 N -4.20 1.66 0.06 0.56 0.00 -1.26 -4.96 107.32 99.18 2k40 s GLY 27 Ca 0.66 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 2k40 s GLY 27 CO 0.53 -0.39 1.56 -2.22 0.00 0.00 0.00 173.10 172.58 2k40 h ILE 28 N -0.92 1.19 -0.48 0.90 1.08 -1.99 -2.06 117.51 115.22 2k40 h ILE 28 Ca -0.45 -0.57 0.14 0.00 -0.39 0.00 0.00 64.86 63.59 2k40 h ILE 28 Cb 1.31 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 2k40 h ILE 28 CO 0.59 0.17 0.38 -0.78 -0.69 0.00 0.00 178.15 177.81 2k40 h ASP 29 N -0.02 0.00 0.63 1.72 1.82 -1.97 0.27 116.42 118.86 2k40 h ASP 29 Ca 0.03 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.40 2k40 h ASP 29 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2k40 h ASP 29 CO -0.00 0.00 -1.26 0.40 -1.61 0.00 0.00 179.24 176.77 2k40 h ILE 30 N 0.00 1.47 -0.24 2.25 2.04 -1.86 -0.17 117.51 121.00 2k40 h ILE 30 Ca 0.23 -3.05 -0.05 0.00 1.00 0.00 0.00 64.86 62.98 2k40 h ILE 30 Cb 0.98 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 2k40 h ILE 30 CO -0.00 0.89 -0.05 -0.07 0.00 0.00 0.00 178.15 178.92 2k40 h LEU 31 N 0.07 0.46 0.13 1.44 3.38 -0.46 -1.55 115.31 118.79 2k40 h LEU 31 Ca -0.14 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2k40 h LEU 31 Cb 1.97 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 2k40 h LEU 31 CO 0.20 0.71 -0.29 -0.33 0.09 0.00 0.00 178.44 178.82 2k40 h GLU 32 N 0.21 -0.49 -0.65 1.13 5.08 -0.61 0.17 114.58 119.41 2k40 h GLU 32 Ca 0.06 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2k40 h GLU 32 Cb 0.50 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2k40 h GLU 32 CO 0.02 -0.33 0.43 0.22 -1.00 0.00 0.00 179.01 178.35 2k40 h ASP 33 N -0.51 0.73 -0.61 1.42 3.58 -1.06 0.13 116.42 120.09 2k40 h ASP 33 Ca 0.03 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2k40 h ASP 33 Cb 0.54 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 2k40 h ASP 33 CO -0.16 0.52 0.29 -0.07 -2.88 0.00 0.00 179.24 176.95 2k40 h LEU 34 N 0.86 0.80 0.70 2.28 3.38 -1.20 0.64 115.31 122.77 2k40 h LEU 34 Ca 0.25 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2k40 h LEU 34 Cb -0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2k40 h LEU 34 CO -0.07 0.71 -0.43 0.00 0.09 0.00 0.00 178.44 178.74 2k40 h ALA 35 N 1.12 -1.10 -0.26 1.53 0.00 -0.55 -1.84 119.26 118.16 2k40 h ALA 35 Ca 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k40 h ALA 35 Cb 0.12 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k40 h ALA 35 CO -0.03 -1.14 0.10 0.37 0.00 0.00 0.00 179.25 178.56 2k40 h GLN 36 N -1.07 0.36 0.06 0.00 5.75 -0.65 0.42 115.11 119.98 2k40 h GLN 36 Ca -0.09 -0.04 -0.31 0.00 -0.15 0.00 0.00 58.65 58.07 2k40 h GLN 36 Cb 0.86 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2k40 h GLN 36 CO 0.09 0.31 -1.67 1.17 -2.65 0.00 0.00 178.83 176.08 2k40 n LYS 37 N -4.42 0.66 0.05 1.69 4.81 0.21 -4.14 118.16 117.01 2k40 n LYS 37 Ca 0.01 0.41 0.13 0.00 -0.87 0.00 0.00 58.31 57.99 2k40 n LYS 37 Cb 0.13 -1.72 0.51 0.00 0.02 0.00 0.00 35.03 33.97 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 -3.95 0.34 -1.43 3.14 7.99 -0.69 -4.95 117.00 117.44 2k40 n LEU 38 Ca -0.33 0.54 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2k40 n LEU 38 Cb 0.87 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2k40 n LEU 38 CO 0.30 -0.11 0.00 0.59 -1.51 0.00 0.00 177.39 176.66 2k40 n ASN 39 N -1.82 -1.90 -0.52 -1.43 3.02 -0.80 -5.07 115.26 106.74 2k40 n ASN 39 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2k40 n ASN 39 Cb 0.36 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k40 n LEU 40 N -1.41 0.00 -4.09 3.41 4.77 0.07 -5.05 117.00 114.70 2k40 n LEU 40 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2k40 n LEU 40 Cb 0.48 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2k40 n LEU 40 CO 0.00 0.00 -0.42 -1.83 -1.33 0.00 0.00 177.39 173.81 2k40 s GLU 41 N -0.34 0.63 0.33 3.23 -1.05 -1.26 -4.46 118.70 115.77 2k40 s GLU 41 Ca 0.00 -0.77 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 2k40 s GLU 41 Cb 0.00 -0.49 0.71 0.00 -0.44 0.00 0.00 34.13 33.91 2k40 s GLU 41 CO 0.00 0.10 1.86 1.25 0.95 0.00 0.00 175.26 179.43 2k40 h LEU 42 N 4.57 0.76 -0.85 1.83 6.46 -1.94 -0.65 115.31 125.50 2k40 h LEU 42 Ca -0.37 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.52 2k40 h LEU 42 Cb 1.20 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.95 2k40 h LEU 42 CO 0.41 0.40 0.50 0.44 -0.62 0.00 0.00 178.44 179.58 2k40 h ASP 43 N 0.81 0.75 -0.31 1.25 5.19 -1.97 0.18 116.42 122.32 2k40 h ASP 43 Ca 0.46 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.79 2k40 h ASP 43 Cb 0.60 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 2k40 h ASP 43 CO -0.22 0.45 -0.21 0.03 -3.12 0.00 0.00 179.24 176.17 2k40 h ARG 44 N 0.87 0.79 -0.21 3.56 3.08 -1.55 -0.38 114.38 120.53 2k40 h ARG 44 Ca 0.39 -0.31 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 2k40 h ARG 44 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k40 h ARG 44 CO -0.22 0.93 -0.62 0.82 -1.07 0.00 0.00 179.97 179.80 2k40 h ILE 45 N 0.69 1.29 0.47 2.04 1.08 -1.11 0.10 117.51 122.07 2k40 h ILE 45 Ca 0.10 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 62.71 2k40 h ILE 45 Cb 0.72 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 2k40 h ILE 45 CO 0.06 0.59 -0.39 1.56 -0.69 0.00 0.00 178.15 179.27 2k40 h GLN 46 N 0.55 -0.82 -0.84 2.37 1.08 -0.60 0.72 115.11 117.57 2k40 h GLN 46 Ca -0.01 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2k40 h GLN 46 Cb 1.22 0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 28.78 2k40 h GLN 46 CO 0.13 -0.55 0.52 0.82 -0.95 0.00 0.00 178.83 178.80 2k40 h ILE 47 N -0.86 1.05 0.50 2.54 2.04 -1.10 0.55 117.51 122.24 2k40 h ILE 47 Ca -0.05 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2k40 h ILE 47 Cb 0.74 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2k40 h ILE 47 CO -0.02 0.18 -0.26 -0.25 0.00 0.00 0.00 178.15 177.80 2k40 h TRP 48 N 0.96 -0.67 -0.43 1.37 7.01 -0.74 0.31 115.95 123.75 2k40 h TRP 48 Ca 0.36 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2k40 h TRP 48 Cb 0.14 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2k40 h TRP 48 CO -0.03 -0.41 0.19 0.74 -2.79 0.00 0.00 178.44 176.14 2k40 h PHE 49 N -0.70 0.64 -0.60 2.65 0.04 -0.63 -1.02 116.94 117.32 2k40 h PHE 49 Ca -0.07 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.71 2k40 h PHE 49 Cb 0.55 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 2k40 h PHE 49 CO -0.06 0.54 0.35 1.96 -0.60 0.00 0.00 178.31 180.50 2k40 h GLN 50 N 0.56 0.65 -0.03 1.51 1.08 -0.88 0.24 115.11 118.24 2k40 h GLN 50 Ca 0.15 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2k40 h GLN 50 Cb 0.15 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k40 h GLN 50 CO -0.02 0.43 0.02 -0.91 -0.95 0.00 0.00 178.83 177.40 2k40 h ASN 51 N 0.67 0.03 0.45 1.46 2.35 -0.68 -0.05 115.58 119.82 2k40 h ASN 51 Ca 0.26 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2k40 h ASN 51 Cb 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2k40 h ASN 51 CO -0.14 0.04 -0.42 0.03 -1.65 0.00 0.00 177.43 175.29 2k40 h ARG 52 N 0.02 -0.85 -0.74 0.81 -0.00 -0.74 -0.60 114.38 112.28 2k40 h ARG 52 Ca 0.01 0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.53 2k40 h ARG 52 Cb 0.01 0.19 -0.03 0.00 0.00 0.00 0.00 29.97 30.14 2k40 h ARG 52 CO -0.00 -0.57 0.37 -0.09 0.00 0.00 0.00 179.97 179.68 2k40 h ARG 53 N -0.88 1.04 -0.21 0.04 1.12 -0.55 0.13 114.38 115.06 2k40 h ARG 53 Ca -0.05 -0.13 -0.02 0.00 -1.11 0.00 0.00 59.98 58.67 2k40 h ARG 53 Cb 0.77 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.53 2k40 h ARG 53 CO -0.05 0.79 0.06 0.00 -3.11 0.00 0.00 179.97 177.66 2k40 h ALA 54 N 1.37 0.28 0.00 2.80 0.00 -0.94 -3.32 119.26 119.44 2k40 h ALA 54 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k40 h ALA 54 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k40 h ALA 54 CO -0.04 -0.08 -0.37 1.17 0.00 0.00 0.00 179.25 179.94 2k40 n LYS 55 N -4.76 0.07 -0.18 0.00 4.81 -0.24 -4.69 118.16 113.16 2k40 n LYS 55 Ca -0.04 0.03 -0.05 0.00 -0.87 0.00 0.00 58.31 57.38 2k40 n LYS 55 Cb 0.17 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 33.62 2k40 n LYS 55 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k40 n LEU 56 N -1.65 -0.46 0.04 3.14 7.94 0.39 -0.33 117.00 126.08 2k40 n LEU 56 Ca 0.05 0.92 0.02 0.00 -1.11 0.00 0.00 56.01 55.90 2k40 n LEU 56 Cb 0.36 -0.17 0.38 0.00 0.53 0.00 0.00 43.42 44.51 2k40 n LEU 56 CO 0.33 -0.70 1.00 0.50 -1.11 0.00 0.00 177.39 177.40 2k40 h LYS 57 N 0.00 0.43 0.00 1.96 3.64 -1.88 -1.70 116.57 119.02 2k40 h LYS 57 Ca 0.07 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2k40 h LYS 57 Cb 0.18 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2k40 h LYS 57 CO -0.41 0.42 -0.61 -0.09 -2.27 0.00 0.00 179.45 176.50 2k40 h ARG 58 N 0.42 0.00 0.00 1.90 1.12 -1.02 -3.48 114.38 113.32 2k40 h ARG 58 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 2k40 h ARG 58 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2k40 h ARG 58 CO 0.00 0.61 0.00 0.45 -3.11 0.00 0.00 179.97 177.92 2k40 n SER 59 N -3.37 0.00 -2.33 -3.80 2.88 -0.47 -4.74 113.62 101.79 2k40 n SER 59 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 2k40 n SER 59 Cb 0.72 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.18 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 7.98 -1.43 -1.90 0.66 -0.00 -1.26 -4.93 115.22 114.33 2k40 n HIS 60 Ca 0.00 -1.51 -0.28 0.00 0.46 0.00 0.00 57.72 56.39 2k40 n HIS 60 Cb 0.00 0.48 -0.07 0.00 -0.12 0.00 0.00 29.99 30.28 2k40 n HIS 60 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k40 n ARG 61 N -0.39 1.41 -4.12 1.57 3.00 -1.26 -4.93 116.66 111.95 2k40 n ARG 61 Ca -0.02 -2.31 -0.15 0.00 -0.01 0.00 0.00 57.85 55.36 2k40 n ARG 61 Cb 0.41 -3.66 -0.13 0.00 0.00 0.00 0.00 32.46 29.08 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 6.55 0.46 -0.39 5.56 2.56 -1.26 -5.09 118.70 127.08 2k40 s GLU 62 Ca 0.69 -0.40 0.11 0.00 0.00 0.00 0.00 54.97 55.37 2k40 s GLU 62 Cb 0.01 -0.36 0.38 0.00 2.00 0.00 0.00 34.13 36.16 2k40 s GLU 62 CO 0.14 0.09 1.09 -1.13 -0.56 0.00 0.00 175.26 174.89 2k40 n SER 63 N 2.39 -0.66 -3.19 -1.70 3.41 -1.26 -4.99 113.62 107.61 2k40 n SER 63 Ca -0.17 -2.91 -0.21 0.00 -0.26 0.00 0.00 58.87 55.32 2k40 n SER 63 Cb 0.57 0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 2k40 n SER 63 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2k40 n GLN 64 N -0.08 0.41 -3.73 4.33 7.27 -1.26 -5.13 117.38 119.19 2k40 n GLN 64 Ca 0.07 -2.88 -0.11 0.00 0.07 0.00 0.00 57.00 54.15 2k40 n GLN 64 Cb 0.77 -1.52 -0.07 0.00 2.41 0.00 0.00 30.24 31.84 2k40 n GLN 64 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 2k40 s PHE 65 N -0.03 -0.11 -1.34 3.69 -0.12 -1.26 -5.09 117.98 113.71 2k40 s PHE 65 Ca 0.33 -0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.98 2k40 s PHE 65 Cb 0.08 0.13 0.09 0.00 -0.63 0.00 0.00 43.02 42.69 2k40 s PHE 65 CO -0.16 -0.57 1.89 -0.11 -0.05 0.00 0.00 175.22 176.22 2k40 n LEU 66 N 0.29 5.97 0.00 -1.99 0.00 -1.26 -5.31 117.00 114.70 2k40 n LEU 66 Ca -0.17 -4.22 0.00 0.00 0.00 0.00 0.00 56.01 51.62 2k40 n LEU 66 Cb 0.61 -1.65 0.00 0.00 0.00 0.00 0.00 43.42 42.38 2k40 n LEU 66 CO 0.20 0.80 0.00 0.80 0.00 0.00 0.00 177.39 179.19