#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 h ARG 2 N 0.00 0.00 -7.14 1.61 0.11 -2.08 -3.43 114.38 103.46 2k40 h ARG 2 Ca 0.00 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.62 2k40 h ARG 2 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2k40 h ARG 2 CO 0.00 0.00 0.37 1.03 0.10 0.00 0.00 179.97 181.47 2k40 s ARG 3 N -3.76 3.95 -0.84 0.08 0.52 -1.26 -4.98 118.95 112.66 2k40 s ARG 3 Ca -0.00 1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 56.22 2k40 s ARG 3 Cb 0.10 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.31 2k40 s ARG 3 CO 0.51 -0.27 2.71 -0.35 0.02 0.00 0.00 175.30 177.92 2k40 n PRO 4 N -1.27 2.47 -0.59 3.54 -0.04 -1.26 -4.30 135.00 133.55 2k40 n PRO 4 Ca 0.07 -1.48 0.04 0.00 -0.04 0.00 0.00 63.50 62.09 2k40 n PRO 4 Cb 0.54 -2.38 0.06 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.43 0.51 -2.20 0.54 0.00 -1.26 -4.98 116.66 112.70 2k40 n ARG 5 Ca 0.53 -1.86 -0.43 0.00 -0.00 0.00 0.00 57.85 56.10 2k40 n ARG 5 Cb 0.37 -0.79 -0.02 0.00 0.00 0.00 0.00 32.46 32.02 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 -1.11 3.89 0.44 5.15 2.01 -1.26 -4.91 115.64 119.86 2k40 s THR 6 Ca 0.19 1.07 0.06 0.00 0.31 0.00 0.00 61.69 63.32 2k40 s THR 6 Cb 0.19 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2k40 s THR 6 CO -0.03 -0.12 0.09 0.00 -0.69 0.00 0.00 174.62 173.86 2k40 s ALA 7 N 3.92 3.58 0.00 7.40 0.00 -1.26 -4.76 121.76 130.64 2k40 s ALA 7 Ca 0.65 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2k40 s ALA 7 Cb -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2k40 s ALA 7 CO 0.23 -0.14 0.00 1.19 0.00 0.00 0.00 175.76 177.05 2k40 n PHE 8 N -1.16 0.00 -2.37 0.00 3.72 -1.26 -5.11 117.46 111.27 2k40 n PHE 8 Ca -0.07 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.00 2k40 n PHE 8 Cb 0.66 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.18 2k40 n PHE 8 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k40 s THR 9 N -0.67 4.05 0.29 4.37 -4.23 -1.26 -4.94 115.64 113.25 2k40 s THR 9 Ca 0.00 1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 2k40 s THR 9 Cb 0.00 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.59 2k40 s THR 9 CO 0.00 -0.45 1.95 -0.61 -0.54 0.00 0.00 174.62 174.97 2k40 h GLN 10 N 1.06 1.15 0.00 3.99 4.15 -2.01 -0.42 115.11 123.03 2k40 h GLN 10 Ca -0.48 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2k40 h GLN 10 Cb 1.21 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2k40 h GLN 10 CO 0.59 0.76 0.00 -1.71 -1.93 0.00 0.00 178.83 176.54 2k40 n ASN 11 N -4.41 0.05 -0.08 -0.69 4.05 -1.26 -0.72 115.26 112.20 2k40 n ASN 11 Ca 0.10 0.51 -0.22 0.00 0.45 0.00 0.00 54.58 55.43 2k40 n ASN 11 Cb 0.03 -0.52 -0.12 0.00 1.23 0.00 0.00 39.78 40.40 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2k40 n GLN 12 N -1.56 0.62 -0.19 1.20 7.27 -0.63 -4.36 117.38 119.74 2k40 n GLN 12 Ca 0.03 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.59 2k40 n GLN 12 Cb 0.15 -1.74 0.09 0.00 2.41 0.00 0.00 30.24 31.16 2k40 n GLN 12 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2k40 h ILE 13 N -0.72 0.58 0.00 1.69 1.08 -0.40 -1.88 117.51 117.86 2k40 h ILE 13 Ca -0.37 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2k40 h ILE 13 Cb 1.50 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2k40 h ILE 13 CO -0.14 0.03 -0.02 1.05 -0.69 0.00 0.00 178.15 178.39 2k40 h GLU 14 N 0.17 0.00 0.04 2.37 4.11 -1.15 0.13 114.58 120.25 2k40 h GLU 14 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 2k40 h GLU 14 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k40 h GLU 14 CO -0.45 0.02 -0.02 0.28 0.07 0.00 0.00 179.01 178.91 2k40 h VAL 15 N 0.00 1.25 -0.55 -1.06 2.07 -1.54 -1.30 116.25 115.12 2k40 h VAL 15 Ca -0.00 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 2k40 h VAL 15 Cb 0.06 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2k40 h VAL 15 CO 0.00 0.25 0.28 -0.07 0.02 0.00 0.00 177.57 178.05 2k40 h LEU 16 N -0.49 0.71 -0.80 2.57 4.07 -1.24 -2.14 115.31 117.99 2k40 h LEU 16 Ca -0.01 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.90 2k40 h LEU 16 Cb 0.45 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 2k40 h LEU 16 CO 0.01 0.63 0.48 -0.33 -1.08 0.00 0.00 178.44 178.15 2k40 h GLU 17 N 0.74 0.84 0.00 1.13 5.08 -0.86 -0.04 114.58 121.47 2k40 h GLU 17 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2k40 h GLU 17 Cb 0.10 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2k40 h GLU 17 CO -0.03 0.56 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.58 2k40 h ASN 18 N 0.86 0.00 0.03 1.42 2.35 -0.73 -0.01 115.58 119.50 2k40 h ASN 18 Ca 0.36 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.02 2k40 h ASN 18 Cb 0.21 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.59 2k40 h ASN 18 CO -0.19 0.05 -0.36 0.58 -1.65 0.00 0.00 177.43 175.86 2k40 h VAL 19 N 0.00 1.57 -0.08 2.81 2.07 -0.75 -3.38 116.25 118.49 2k40 h VAL 19 Ca -0.00 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.36 2k40 h VAL 19 Cb 0.16 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2k40 h VAL 19 CO 0.01 0.59 -0.04 0.15 0.02 0.00 0.00 177.57 178.29 2k40 h PHE 20 N -0.51 0.12 0.00 1.57 3.57 -0.26 -0.01 116.94 121.42 2k40 h PHE 20 Ca -0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2k40 h PHE 20 Cb 1.16 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k40 h PHE 20 CO 0.20 0.17 0.02 0.07 -2.23 0.00 0.00 178.31 176.53 2k40 h ARG 21 N 0.12 0.00 0.00 1.11 0.11 -1.20 -2.92 114.38 111.60 2k40 h ARG 21 Ca 0.03 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 2k40 h ARG 21 Cb 0.16 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 2k40 h ARG 21 CO 0.01 0.00 -1.49 0.28 0.10 0.00 0.00 179.97 178.86 2k40 n VAL 22 N -2.75 0.50 -3.69 0.08 0.31 -0.95 -4.97 118.33 106.85 2k40 n VAL 22 Ca -0.02 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.72 2k40 n VAL 22 Cb 0.07 -0.81 -0.09 0.00 -0.91 0.00 0.00 33.84 32.10 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 -4.62 5.35 0.51 4.52 0.01 -0.06 -4.91 114.94 115.74 2k40 s ASN 23 Ca -0.10 -2.76 0.20 0.00 -0.71 0.00 0.00 52.86 49.49 2k40 s ASN 23 Cb 0.03 -1.88 1.29 0.00 0.41 0.00 0.00 41.25 41.10 2k40 s ASN 23 CO 0.22 -0.40 2.06 0.00 -1.51 0.00 0.00 177.10 177.47 2k40 s TYR 25 N -5.09 0.21 1.06 0.00 2.02 -1.26 -4.97 117.35 109.31 2k40 s TYR 25 Ca -0.05 -0.09 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 2k40 s TYR 25 Cb 0.19 -0.62 0.24 0.00 -0.40 0.00 0.00 41.96 41.36 2k40 s TYR 25 CO 0.71 -0.37 1.28 -1.25 -1.57 0.00 0.00 175.55 174.35 2k40 s PRO 26 N 2.13 -0.12 0.62 -1.71 0.04 -1.26 -5.11 135.00 129.60 2k40 s PRO 26 Ca 0.03 -0.39 -0.06 0.00 0.04 0.00 0.00 61.00 60.62 2k40 s PRO 26 Cb -0.14 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.66 2k40 s PRO 26 CO -0.06 -2.92 0.94 0.20 0.04 0.00 0.00 177.00 175.19 2k40 s GLY 27 N -4.65 1.63 0.24 0.56 0.00 -1.26 -4.97 107.32 98.87 2k40 s GLY 27 Ca 0.75 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.71 2k40 s GLY 27 CO 0.54 -0.42 1.70 -2.22 0.00 0.00 0.00 173.10 172.71 2k40 h ILE 28 N -0.30 1.26 0.00 0.90 1.08 -1.99 -2.01 117.51 116.44 2k40 h ILE 28 Ca -0.45 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 62.84 2k40 h ILE 28 Cb 1.27 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2k40 h ILE 28 CO 0.61 0.40 -0.06 -0.78 -0.69 0.00 0.00 178.15 177.62 2k40 h ASP 29 N 0.67 0.00 0.14 1.72 3.58 -1.98 0.34 116.42 120.90 2k40 h ASP 29 Ca 0.11 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.34 2k40 h ASP 29 Cb 0.59 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.64 2k40 h ASP 29 CO 0.04 0.06 -0.85 0.40 -2.88 0.00 0.00 179.24 176.01 2k40 h ILE 30 N 0.00 1.34 -0.42 2.25 1.08 -1.78 0.33 117.51 120.32 2k40 h ILE 30 Ca -0.00 -2.20 -0.09 0.00 -0.39 0.00 0.00 64.86 62.17 2k40 h ILE 30 Cb 0.15 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2k40 h ILE 30 CO 0.01 0.67 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.96 2k40 h LEU 31 N 0.35 0.82 -0.21 1.44 3.38 -0.68 -0.83 115.31 119.57 2k40 h LEU 31 Ca -0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2k40 h LEU 31 Cb 1.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2k40 h LEU 31 CO 0.16 1.00 0.04 -0.33 0.09 0.00 0.00 178.44 179.39 2k40 h GLU 32 N 0.63 0.11 -0.66 1.13 5.08 -0.42 0.12 114.58 120.57 2k40 h GLU 32 Ca 0.10 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2k40 h GLU 32 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2k40 h GLU 32 CO 0.04 0.07 0.43 0.22 -1.00 0.00 0.00 179.01 178.78 2k40 h ASP 33 N 0.12 0.76 -0.39 1.42 3.58 -0.87 0.13 116.42 121.17 2k40 h ASP 33 Ca 0.10 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k40 h ASP 33 Cb 0.10 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2k40 h ASP 33 CO -0.13 0.56 0.23 -0.07 -2.88 0.00 0.00 179.24 176.94 2k40 h LEU 34 N 0.90 0.47 -0.05 2.28 3.38 -1.07 0.53 115.31 121.75 2k40 h LEU 34 Ca 0.24 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2k40 h LEU 34 Cb -0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2k40 h LEU 34 CO -0.05 0.39 -0.12 0.00 0.09 0.00 0.00 178.44 178.75 2k40 h ALA 35 N 1.10 -0.09 0.20 1.53 0.00 -0.36 -1.81 119.26 119.83 2k40 h ALA 35 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k40 h ALA 35 Cb 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k40 h ALA 35 CO -0.03 -0.59 -0.34 1.96 0.00 0.00 0.00 179.25 180.25 2k40 h GLN 36 N -0.17 -0.55 0.00 0.00 7.50 -0.69 -0.01 115.11 121.18 2k40 h GLN 36 Ca 0.06 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2k40 h GLN 36 Cb 0.26 0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2k40 h GLN 36 CO -0.16 -0.37 0.00 1.63 -1.50 0.00 0.00 178.83 178.43 2k40 n LYS 37 N -4.41 0.15 -0.01 1.46 4.76 0.17 -2.89 118.16 117.38 2k40 n LYS 37 Ca -0.07 0.39 0.03 0.00 -2.87 0.00 0.00 58.31 55.79 2k40 n LYS 37 Cb 0.29 -1.80 0.03 0.00 -1.84 0.00 0.00 35.03 31.71 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k40 n LEU 38 N -2.08 1.60 -3.81 -0.35 4.77 -0.69 -5.03 117.00 111.42 2k40 n LEU 38 Ca 0.02 -1.18 -0.28 0.00 -0.03 0.00 0.00 56.01 54.55 2k40 n LEU 38 Cb 0.21 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2k40 n LEU 38 CO 0.18 0.36 -0.23 -3.20 -1.33 0.00 0.00 177.39 173.16 2k40 n ASN 39 N 0.23 -4.45 -1.32 -1.43 5.15 -0.93 -5.04 115.26 107.47 2k40 n ASN 39 Ca 0.03 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 2k40 n ASN 39 Cb 0.16 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.90 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k40 n LEU 40 N -2.96 0.00 -4.19 1.20 4.77 -0.06 -5.05 117.00 110.71 2k40 n LEU 40 Ca -0.28 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 2k40 n LEU 40 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 2k40 n LEU 40 CO 0.63 0.00 -0.40 -1.83 -1.33 0.00 0.00 177.39 174.46 2k40 s GLU 41 N -1.00 0.90 0.18 3.23 -1.05 -1.26 -4.58 118.70 115.12 2k40 s GLU 41 Ca 0.00 -1.34 -0.23 0.00 -0.15 0.00 0.00 54.97 53.26 2k40 s GLU 41 Cb 0.00 -0.37 0.10 0.00 -0.44 0.00 0.00 34.13 33.41 2k40 s GLU 41 CO 0.00 0.02 1.57 1.25 0.95 0.00 0.00 175.26 179.06 2k40 h LEU 42 N 3.02 -1.36 -1.58 1.83 7.12 -1.95 0.18 115.31 122.57 2k40 h LEU 42 Ca -0.36 0.25 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 2k40 h LEU 42 Cb 1.18 0.65 -0.01 0.00 -0.53 0.00 0.00 40.66 41.95 2k40 h LEU 42 CO 0.62 -0.31 -0.22 0.44 -0.13 0.00 0.00 178.44 178.84 2k40 h ASP 43 N -0.17 0.00 -0.42 1.25 5.19 -1.98 0.13 116.42 120.42 2k40 h ASP 43 Ca 0.22 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.55 2k40 h ASP 43 Cb 0.56 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 2k40 h ASP 43 CO -0.72 0.22 -0.04 0.03 -3.12 0.00 0.00 179.24 175.61 2k40 h ARG 44 N 0.00 0.85 -0.26 3.56 3.08 -1.39 0.81 114.38 121.03 2k40 h ARG 44 Ca -0.00 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 2k40 h ARG 44 Cb 0.47 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2k40 h ARG 44 CO 0.03 0.87 -0.43 0.82 -1.07 0.00 0.00 179.97 180.20 2k40 h ILE 45 N 0.78 1.30 0.17 2.04 1.08 -0.98 -0.95 117.51 120.95 2k40 h ILE 45 Ca 0.14 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 2k40 h ILE 45 Cb 0.53 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 2k40 h ILE 45 CO 0.03 0.52 -0.17 1.56 -0.69 0.00 0.00 178.15 179.40 2k40 h GLN 46 N 0.49 -0.36 -0.67 2.37 4.20 -0.85 -0.06 115.11 120.23 2k40 h GLN 46 Ca 0.02 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2k40 h GLN 46 Cb 1.03 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 2k40 h GLN 46 CO 0.10 -0.24 0.44 0.82 -0.67 0.00 0.00 178.83 179.28 2k40 h ILE 47 N -0.37 1.09 0.91 2.54 5.03 -0.89 0.35 117.51 126.17 2k40 h ILE 47 Ca 0.00 -0.27 -0.04 0.00 -0.12 0.00 0.00 64.86 64.43 2k40 h ILE 47 Cb 0.35 0.23 0.01 0.00 -3.03 0.00 0.00 36.82 34.37 2k40 h ILE 47 CO -0.04 0.14 -0.44 -0.25 -0.68 0.00 0.00 178.15 176.89 2k40 h TRP 48 N 0.79 -1.13 -0.68 1.37 7.01 -0.69 -0.43 115.95 122.18 2k40 h TRP 48 Ca 0.27 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.25 2k40 h TRP 48 Cb 0.09 0.37 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2k40 h TRP 48 CO -0.00 -0.70 0.45 0.74 -2.79 0.00 0.00 178.44 176.14 2k40 h PHE 49 N -1.31 0.85 -0.10 2.65 0.04 -0.82 -1.04 116.94 117.20 2k40 h PHE 49 Ca -0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2k40 h PHE 49 Cb 0.93 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2k40 h PHE 49 CO 0.00 0.53 0.06 0.37 -0.60 0.00 0.00 178.31 178.67 2k40 h GLN 50 N 0.91 0.13 -0.98 1.51 -0.00 -1.00 -1.37 115.11 114.31 2k40 h GLN 50 Ca 0.26 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.92 2k40 h GLN 50 Cb -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.31 2k40 h GLN 50 CO -0.06 0.08 0.64 -0.91 0.00 0.00 0.00 178.83 178.59 2k40 h ASN 51 N 0.13 1.09 0.58 -0.69 2.35 -0.72 0.32 115.58 118.64 2k40 h ASN 51 Ca 0.04 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2k40 h ASN 51 Cb -0.01 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 2k40 h ASN 51 CO -0.01 0.76 -0.35 0.03 -1.65 0.00 0.00 177.43 176.21 2k40 h ARG 52 N 1.27 -0.84 -0.43 0.81 -0.00 -0.74 -1.21 114.38 113.24 2k40 h ARG 52 Ca 0.38 0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.88 2k40 h ARG 52 Cb -0.05 0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.09 2k40 h ARG 52 CO -0.11 -0.56 0.10 0.07 0.00 0.00 0.00 179.97 179.48 2k40 h ARG 53 N -0.87 0.65 0.00 0.04 0.11 -1.25 -1.69 114.38 111.36 2k40 h ARG 53 Ca -0.08 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2k40 h ARG 53 Cb 0.69 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2k40 h ARG 53 CO 0.08 0.59 0.00 0.00 0.10 0.00 0.00 179.97 180.75 2k40 h ALA 54 N 1.48 1.00 0.00 0.08 0.00 -0.83 -3.26 119.26 117.74 2k40 h ALA 54 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k40 h ALA 54 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k40 h ALA 54 CO -0.00 0.00 -0.23 1.63 0.00 0.00 0.00 179.25 180.64 2k40 n LYS 55 N -2.85 0.68 -0.28 0.00 5.02 -0.47 -4.96 118.16 115.30 2k40 n LYS 55 Ca -0.01 -1.51 -0.08 0.00 -2.02 0.00 0.00 58.31 54.70 2k40 n LYS 55 Cb 0.19 -0.87 -0.04 0.00 -0.02 0.00 0.00 35.03 34.28 2k40 n LYS 55 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2k40 h LEU 56 N 0.00 -1.66 -1.35 -0.35 7.12 -1.36 0.29 115.31 118.00 2k40 h LEU 56 Ca 0.00 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.28 2k40 h LEU 56 Cb 1.14 0.76 0.00 0.00 -0.53 0.00 0.00 40.66 42.03 2k40 h LEU 56 CO 0.00 -0.31 0.00 0.11 -0.13 0.00 0.00 178.44 178.11 2k40 h LYS 57 N -0.16 0.00 -1.58 1.25 1.57 -1.90 -3.08 116.57 112.68 2k40 h LYS 57 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2k40 h LYS 57 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k40 h LYS 57 CO -0.79 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 178.63 2k40 n ARG 58 N -2.57 0.82 -0.70 3.15 1.74 0.09 -4.92 116.66 114.28 2k40 n ARG 58 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2k40 n ARG 58 Cb 0.19 -1.09 0.23 0.00 -1.02 0.00 0.00 32.46 30.77 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k40 s SER 59 N 1.48 1.42 0.01 0.55 0.15 -1.17 -4.99 113.70 111.15 2k40 s SER 59 Ca 0.00 1.47 -0.25 0.00 0.70 0.00 0.00 55.95 57.87 2k40 s SER 59 Cb 0.00 -2.21 -0.17 0.00 -1.71 0.00 0.00 66.02 61.92 2k40 s SER 59 CO 0.00 -3.92 1.31 0.45 1.20 0.00 0.00 173.24 172.27 2k40 h HIS 60 N -2.43 -0.23 -3.65 3.44 3.86 -1.94 -3.46 115.15 110.75 2k40 h HIS 60 Ca -0.59 -0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.30 2k40 h HIS 60 Cb 1.33 0.07 -0.31 0.00 1.06 0.00 0.00 27.41 29.56 2k40 h HIS 60 CO 0.28 0.11 -0.74 0.50 0.86 0.00 0.00 177.93 178.94 2k40 s ARG 61 N -4.73 0.28 -0.16 2.45 6.06 -1.26 -5.14 118.95 116.45 2k40 s ARG 61 Ca -0.15 -0.01 -0.28 0.00 -2.50 0.00 0.00 55.73 52.80 2k40 s ARG 61 Cb 0.02 -0.37 -0.01 0.00 0.06 0.00 0.00 34.95 34.66 2k40 s ARG 61 CO 0.60 -0.04 0.94 -1.21 -2.50 0.00 0.00 175.30 173.08 2k40 s GLU 62 N 0.51 4.33 -0.92 5.12 2.02 -1.26 -4.99 118.70 123.50 2k40 s GLU 62 Ca -0.05 1.22 -0.25 0.00 0.02 0.00 0.00 54.97 55.92 2k40 s GLU 62 Cb -0.08 -3.58 -0.07 0.00 0.10 0.00 0.00 34.13 30.50 2k40 s GLU 62 CO -0.01 -0.39 2.01 -1.12 0.02 0.00 0.00 175.26 175.77 2k40 s SER 63 N 1.15 4.91 0.02 -0.19 0.01 -1.26 -4.92 113.70 113.42 2k40 s SER 63 Ca 0.43 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.03 2k40 s SER 63 Cb -0.17 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 2k40 s SER 63 CO 0.13 -2.99 -0.10 -1.10 0.41 0.00 0.00 173.24 169.59 2k40 s GLN 64 N 7.25 0.71 0.38 12.44 -0.21 -1.26 -5.18 119.66 133.80 2k40 s GLN 64 Ca 0.73 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 55.50 2k40 s GLN 64 Cb -0.07 -0.66 0.03 0.00 1.00 0.00 0.00 33.01 33.31 2k40 s GLN 64 CO 0.02 0.17 0.64 0.12 -2.12 0.00 0.00 175.29 174.13 2k40 s PHE 65 N -0.64 0.64 0.34 0.91 5.36 -1.26 -5.20 117.98 118.13 2k40 s PHE 65 Ca -0.00 -1.10 0.05 0.00 -0.96 0.00 0.00 56.93 54.92 2k40 s PHE 65 Cb -0.06 0.38 -0.07 0.00 -0.34 0.00 0.00 43.02 42.93 2k40 s PHE 65 CO 0.00 -1.39 0.03 -1.17 -1.46 0.00 0.00 175.22 171.23 2k40 s LEU 66 N -3.17 2.41 0.00 6.12 2.96 -1.26 -5.34 118.68 120.39 2k40 s LEU 66 Ca 0.23 -1.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 2k40 s LEU 66 Cb -0.03 -0.56 0.00 0.00 0.50 0.00 0.00 46.19 46.11 2k40 s LEU 66 CO 0.17 -0.53 0.50 0.80 -1.32 0.00 0.00 176.35 175.97