#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 n ARG 2 N 0.00 0.31 -4.28 1.61 1.85 -1.26 -4.81 116.66 110.09 2k40 n ARG 2 Ca 0.00 -0.63 -0.15 0.00 -1.00 0.00 0.00 57.85 56.07 2k40 n ARG 2 Cb 0.00 -2.05 -0.10 0.00 -1.05 0.00 0.00 32.46 29.26 2k40 n ARG 2 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2k40 s ARG 3 N 4.70 1.28 0.86 2.89 1.70 -1.26 -5.18 118.95 123.94 2k40 s ARG 3 Ca 0.06 -1.66 -0.13 0.00 -0.47 0.00 0.00 55.73 53.53 2k40 s ARG 3 Cb 0.02 -0.23 0.12 0.00 -0.57 0.00 0.00 34.95 34.28 2k40 s ARG 3 CO -0.00 -0.24 1.20 -1.25 -1.08 0.00 0.00 175.30 173.93 2k40 s PRO 4 N -3.99 1.50 -0.25 3.89 0.04 -1.26 -5.07 135.00 129.85 2k40 s PRO 4 Ca 0.32 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 2k40 s PRO 4 Cb 0.07 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2k40 s PRO 4 CO 0.10 -1.90 0.23 0.50 0.04 0.00 0.00 177.00 175.97 2k40 s ARG 5 N -5.58 4.05 0.15 4.56 3.00 -1.26 -4.89 118.95 118.98 2k40 s ARG 5 Ca 0.65 -0.17 0.00 0.00 -1.00 0.00 0.00 55.73 55.21 2k40 s ARG 5 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 34.95 31.26 2k40 s ARG 5 CO 0.51 -0.06 0.00 2.41 0.00 0.00 0.00 175.30 178.16 2k40 n THR 6 N 4.59 0.00 -1.03 4.11 -1.04 -1.26 -4.88 114.28 114.77 2k40 n THR 6 Ca -0.13 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.98 2k40 n THR 6 Cb 0.52 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.99 2k40 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k40 n ALA 7 N 1.13 -3.00 -3.68 2.41 0.00 -1.26 -5.09 120.51 111.01 2k40 n ALA 7 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 2k40 n ALA 7 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.27 -0.16 -2.35 0.00 3.72 -1.26 -5.15 117.46 108.98 2k40 n PHE 8 Ca -0.02 -1.14 -0.33 0.00 -0.05 0.00 0.00 57.45 55.91 2k40 n PHE 8 Cb 0.60 0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 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 -2.40 3.95 0.58 4.37 -1.32 -1.26 -4.88 115.64 114.69 2k40 s THR 9 Ca 0.13 1.06 0.28 0.00 -1.21 0.00 0.00 61.69 61.95 2k40 s THR 9 Cb 0.01 -3.47 0.35 0.00 -1.51 0.00 0.00 72.50 67.87 2k40 s THR 9 CO 0.09 -0.42 2.20 1.56 -2.21 0.00 0.00 174.62 175.85 2k40 h GLN 10 N 1.05 0.00 0.00 7.08 4.20 -2.01 0.40 115.11 125.83 2k40 h GLN 10 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2k40 h GLN 10 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2k40 h GLN 10 CO 0.59 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.84 2k40 n ASN 11 N -3.92 0.00 -0.05 1.46 5.03 -1.26 -0.52 115.26 115.99 2k40 n ASN 11 Ca -0.02 -0.26 -0.06 0.00 0.87 0.00 0.00 54.58 55.11 2k40 n ASN 11 Cb 0.15 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2k40 n GLN 12 N -1.15 1.66 -0.15 3.52 7.27 0.01 -4.59 117.38 123.95 2k40 n GLN 12 Ca 0.11 0.02 -0.09 0.00 0.07 0.00 0.00 57.00 57.12 2k40 n GLN 12 Cb 0.11 -1.26 0.00 0.00 2.41 0.00 0.00 30.24 31.50 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 0.00 1.20 -0.72 1.69 1.08 -0.93 -3.11 117.51 116.71 2k40 h ILE 13 Ca -0.28 -0.60 0.09 0.00 -0.39 0.00 0.00 64.86 63.68 2k40 h ILE 13 Cb 1.56 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 36.00 2k40 h ILE 13 CO -0.01 0.23 0.36 -0.33 -0.69 0.00 0.00 178.15 177.71 2k40 h GLU 14 N 0.58 0.59 -0.57 2.37 4.39 -1.07 0.30 114.58 121.17 2k40 h GLU 14 Ca 0.15 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 2k40 h GLU 14 Cb 0.18 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k40 h GLU 14 CO -0.01 0.39 -0.07 0.28 -1.16 0.00 0.00 179.01 178.44 2k40 h VAL 15 N 0.61 1.27 -0.13 3.13 2.07 -1.81 0.49 116.25 121.88 2k40 h VAL 15 Ca 0.35 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 2k40 h VAL 15 Cb 0.37 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k40 h VAL 15 CO -0.27 0.44 -0.16 -0.07 0.02 0.00 0.00 177.57 177.53 2k40 h LEU 16 N 0.95 0.37 -1.06 2.57 3.38 -1.28 -1.41 115.31 118.82 2k40 h LEU 16 Ca 0.15 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2k40 h LEU 16 Cb 0.64 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2k40 h LEU 16 CO 0.04 0.80 0.04 -0.33 0.09 0.00 0.00 178.44 179.08 2k40 h GLU 17 N -0.05 0.71 -0.39 1.13 5.08 -0.46 -0.00 114.58 120.60 2k40 h GLU 17 Ca 0.02 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2k40 h GLU 17 Cb 0.70 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2k40 h GLU 17 CO 0.04 0.70 0.24 -0.97 -1.00 0.00 0.00 179.01 178.01 2k40 h ASN 18 N 0.68 0.39 -0.48 1.42 -1.24 -0.85 0.19 115.58 115.70 2k40 h ASN 18 Ca 0.14 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 2k40 h ASN 18 Cb 0.36 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 2k40 h ASN 18 CO 0.01 0.28 0.11 0.58 -1.29 0.00 0.00 177.43 177.12 2k40 h VAL 19 N 0.48 1.24 -0.78 2.57 2.07 -1.00 -2.94 116.25 117.89 2k40 h VAL 19 Ca 0.15 -0.86 0.10 0.00 0.82 0.00 0.00 66.70 66.91 2k40 h VAL 19 Cb -0.01 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2k40 h VAL 19 CO -0.06 0.31 0.43 0.15 0.02 0.00 0.00 177.57 178.41 2k40 h PHE 20 N 0.65 0.77 0.00 1.57 3.04 -0.77 0.14 116.94 122.35 2k40 h PHE 20 Ca 0.15 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.13 2k40 h PHE 20 Cb 0.34 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2k40 h PHE 20 CO 0.02 0.30 0.00 -2.13 -2.02 0.00 0.00 178.31 174.48 2k40 n ARG 21 N -4.79 0.11 -0.12 1.11 3.00 0.04 -2.47 116.66 113.54 2k40 n ARG 21 Ca 0.13 0.50 -0.18 0.00 -0.00 0.00 0.00 57.85 58.30 2k40 n ARG 21 Cb 0.28 -1.78 -0.10 0.00 0.00 0.00 0.00 32.46 30.86 2k40 n ARG 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2k40 n VAL 22 N -1.99 1.32 -3.49 5.15 0.31 -0.59 -4.98 118.33 114.06 2k40 n VAL 22 Ca 0.00 -0.47 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 2k40 n VAL 22 Cb 0.10 -1.41 -0.13 0.00 -0.91 0.00 0.00 33.84 31.48 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 -6.42 2.16 0.64 4.52 0.01 0.40 -5.04 114.94 111.20 2k40 s ASN 23 Ca -0.32 -0.72 0.35 0.00 -0.71 0.00 0.00 52.86 51.46 2k40 s ASN 23 Cb 0.09 0.16 1.96 0.00 0.41 0.00 0.00 41.25 43.87 2k40 s ASN 23 CO 0.51 -0.38 2.18 0.00 -1.51 0.00 0.00 177.10 177.90 2k40 s TYR 25 N -4.34 -1.49 1.07 0.00 -0.85 -1.26 -4.77 117.35 105.71 2k40 s TYR 25 Ca -0.05 -0.47 -0.17 0.00 -0.52 0.00 0.00 57.07 55.86 2k40 s TYR 25 Cb 0.13 0.25 0.24 0.00 0.38 0.00 0.00 41.96 42.95 2k40 s TYR 25 CO 0.44 -1.23 1.23 -1.25 -1.52 0.00 0.00 175.55 173.21 2k40 s PRO 26 N 1.06 -0.20 0.84 -3.49 0.04 -1.26 -5.08 135.00 126.93 2k40 s PRO 26 Ca 0.27 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.93 2k40 s PRO 26 Cb -0.01 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.89 2k40 s PRO 26 CO -0.06 -3.00 1.12 0.20 0.04 0.00 0.00 177.00 175.30 2k40 s GLY 27 N -4.45 1.60 0.15 0.56 0.00 -1.26 -4.87 107.32 99.05 2k40 s GLY 27 Ca 0.73 -0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 2k40 s GLY 27 CO 0.54 0.11 1.77 -2.22 0.00 0.00 0.00 173.10 173.31 2k40 h ILE 28 N -1.25 0.98 0.00 0.90 1.08 -1.99 -2.10 117.51 115.13 2k40 h ILE 28 Ca -0.48 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.85 2k40 h ILE 28 Cb 1.30 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2k40 h ILE 28 CO 0.61 0.06 -0.08 0.44 -0.69 0.00 0.00 178.15 178.49 2k40 h ASP 29 N 0.33 0.00 -0.05 1.72 5.19 -1.97 0.34 116.42 121.99 2k40 h ASP 29 Ca 0.14 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 2k40 h ASP 29 Cb 0.06 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.58 2k40 h ASP 29 CO -0.10 0.08 -0.46 0.40 -3.12 0.00 0.00 179.24 176.04 2k40 h ILE 30 N 0.00 1.42 -0.78 0.35 1.08 -1.77 0.45 117.51 118.26 2k40 h ILE 30 Ca -0.00 -1.90 -0.05 0.00 -0.39 0.00 0.00 64.86 62.53 2k40 h ILE 30 Cb 0.19 2.43 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 2k40 h ILE 30 CO 0.01 0.55 0.31 -0.07 -0.69 0.00 0.00 178.15 178.26 2k40 h LEU 31 N -0.10 1.08 -0.42 1.44 3.38 -0.85 -2.17 115.31 117.67 2k40 h LEU 31 Ca -0.04 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2k40 h LEU 31 Cb 1.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2k40 h LEU 31 CO 0.09 0.96 -0.75 -0.33 0.09 0.00 0.00 178.44 178.50 2k40 h GLU 32 N 1.14 0.30 -0.83 1.13 5.08 -0.39 -0.99 114.58 120.01 2k40 h GLU 32 Ca 0.26 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k40 h GLU 32 Cb 0.22 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2k40 h GLU 32 CO -0.02 0.92 0.55 0.22 -1.00 0.00 0.00 179.01 179.68 2k40 h ASP 33 N 0.20 0.94 0.12 1.42 3.58 -0.84 0.54 116.42 122.38 2k40 h ASP 33 Ca -0.03 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2k40 h ASP 33 Cb 1.33 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2k40 h ASP 33 CO 0.12 0.67 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.03 2k40 h LEU 34 N 1.11 -0.14 -0.75 2.28 3.38 -1.32 -3.07 115.31 116.80 2k40 h LEU 34 Ca 0.31 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.33 2k40 h LEU 34 Cb -0.10 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 2k40 h LEU 34 CO -0.08 -0.01 0.33 0.00 0.09 0.00 0.00 178.44 178.77 2k40 h ALA 35 N 0.62 1.05 -0.01 1.53 0.00 -0.99 -0.25 119.26 121.21 2k40 h ALA 35 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k40 h ALA 35 Cb 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k40 h ALA 35 CO 0.03 -0.14 0.14 1.96 0.00 0.00 0.00 179.25 181.24 2k40 h GLN 36 N 0.52 0.00 0.00 0.00 7.50 -0.80 -2.48 115.11 119.85 2k40 h GLN 36 Ca 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.51 2k40 h GLN 36 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 2k40 h GLN 36 CO -0.35 0.00 -1.12 1.63 -1.50 0.00 0.00 178.83 177.49 2k40 n LYS 37 N -3.07 1.16 0.00 1.46 5.02 -0.74 -4.66 118.16 117.34 2k40 n LYS 37 Ca -0.02 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 2k40 n LYS 37 Cb 0.21 -1.04 0.43 0.00 -0.02 0.00 0.00 35.03 34.60 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k40 n LEU 38 N -2.41 0.00 -3.31 -0.35 4.77 -0.18 -4.95 117.00 110.56 2k40 n LEU 38 Ca -0.04 0.48 -0.24 0.00 -0.03 0.00 0.00 56.01 56.19 2k40 n LEU 38 Cb 0.55 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2k40 n LEU 38 CO 0.03 -0.15 -0.11 -3.20 -1.33 0.00 0.00 177.39 172.63 2k40 n ASN 39 N -1.48 -6.37 -3.18 -1.43 2.85 -0.96 -5.05 115.26 99.65 2k40 n ASN 39 Ca 0.05 -0.08 -0.19 0.00 -0.11 0.00 0.00 54.58 54.26 2k40 n ASN 39 Cb 0.22 -3.16 -0.08 0.00 1.24 0.00 0.00 39.78 38.01 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k40 n LEU 40 N -0.79 0.00 -4.65 1.20 4.77 -1.04 -5.08 117.00 111.41 2k40 n LEU 40 Ca -0.05 -3.07 -0.23 0.00 -0.03 0.00 0.00 56.01 52.62 2k40 n LEU 40 Cb 0.60 1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 43.24 2k40 n LEU 40 CO 0.55 -0.51 -0.32 -1.83 -1.33 0.00 0.00 177.39 173.94 2k40 s GLU 41 N -3.32 2.33 0.24 3.23 1.03 -1.26 -4.59 118.70 116.36 2k40 s GLU 41 Ca 0.38 -1.38 -0.07 0.00 0.03 0.00 0.00 54.97 53.94 2k40 s GLU 41 Cb 0.02 -2.19 0.42 0.00 -0.80 0.00 0.00 34.13 31.58 2k40 s GLU 41 CO 0.27 0.37 1.67 1.25 -1.33 0.00 0.00 175.26 177.49 2k40 h LEU 42 N 1.93 -0.13 0.01 1.83 7.12 -1.95 -2.46 115.31 121.66 2k40 h LEU 42 Ca -0.45 0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.75 2k40 h LEU 42 Cb 1.25 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.58 2k40 h LEU 42 CO 0.60 -0.09 -0.22 -0.78 -0.13 0.00 0.00 178.44 177.83 2k40 h ASP 43 N 0.20 -0.64 0.24 1.25 3.58 -1.98 0.23 116.42 119.30 2k40 h ASP 43 Ca 0.40 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.84 2k40 h ASP 43 Cb 0.68 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 2k40 h ASP 43 CO -0.55 -0.29 -0.36 0.03 -2.88 0.00 0.00 179.24 175.19 2k40 h ARG 44 N -0.35 0.18 -0.34 0.28 3.08 -1.88 0.73 114.38 116.09 2k40 h ARG 44 Ca 0.06 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2k40 h ARG 44 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2k40 h ARG 44 CO -0.19 0.53 -0.24 0.82 -1.07 0.00 0.00 179.97 179.82 2k40 h ILE 45 N 0.16 1.29 0.27 2.04 2.04 -1.23 -1.08 117.51 121.00 2k40 h ILE 45 Ca 0.02 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2k40 h ILE 45 Cb 0.72 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2k40 h ILE 45 CO 0.05 0.45 -0.23 1.56 0.00 0.00 0.00 178.15 179.99 2k40 h GLN 46 N 0.53 -0.49 -0.56 2.37 1.08 -0.03 0.97 115.11 118.98 2k40 h GLN 46 Ca 0.07 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2k40 h GLN 46 Cb 0.80 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.31 2k40 h GLN 46 CO 0.06 -0.33 0.34 0.82 -0.95 0.00 0.00 178.83 178.77 2k40 h ILE 47 N -0.51 1.16 0.61 2.54 5.03 -0.94 0.17 117.51 125.56 2k40 h ILE 47 Ca -0.01 -0.34 -0.03 0.00 -0.12 0.00 0.00 64.86 64.36 2k40 h ILE 47 Cb 0.46 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.62 2k40 h ILE 47 CO -0.03 0.16 -0.32 -0.25 -0.68 0.00 0.00 178.15 177.04 2k40 h TRP 48 N 0.76 -0.84 -0.69 1.37 7.01 -0.70 -0.60 115.95 122.26 2k40 h TRP 48 Ca 0.20 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.20 2k40 h TRP 48 Cb -0.04 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2k40 h TRP 48 CO 0.00 -0.51 0.45 0.74 -2.79 0.00 0.00 178.44 176.34 2k40 h PHE 49 N -0.86 0.85 -0.40 2.65 -1.00 -0.49 -1.89 116.94 115.81 2k40 h PHE 49 Ca -0.08 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.77 2k40 h PHE 49 Cb 0.67 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 2k40 h PHE 49 CO -0.05 0.52 0.11 0.37 -1.61 0.00 0.00 178.31 177.65 2k40 h GLN 50 N 0.91 0.25 0.00 1.51 4.15 -0.68 0.55 115.11 121.79 2k40 h GLN 50 Ca 0.26 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2k40 h GLN 50 Cb -0.08 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.56 2k40 h GLN 50 CO -0.07 0.17 0.00 0.09 -1.93 0.00 0.00 178.83 177.09 2k40 n ASN 51 N -5.05 0.00 -0.04 -0.69 3.02 -0.24 -0.48 115.26 111.78 2k40 n ASN 51 Ca 0.02 -0.99 -0.02 0.00 -0.03 0.00 0.00 54.58 53.57 2k40 n ASN 51 Cb 0.16 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 2k40 n ASN 51 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2k40 h ARG 52 N 0.00 0.00 -0.63 3.52 -0.00 -0.44 -3.41 114.38 113.43 2k40 h ARG 52 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.98 59.57 2k40 h ARG 52 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.90 2k40 h ARG 52 CO 0.00 0.00 0.26 -0.09 0.00 0.00 0.00 179.97 180.14 2k40 h ARG 53 N -0.57 0.44 0.00 0.04 1.12 -0.61 0.05 114.38 114.85 2k40 h ARG 53 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2k40 h ARG 53 Cb 0.24 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2k40 h ARG 53 CO 0.00 0.29 0.00 0.00 -3.11 0.00 0.00 179.97 177.15 2k40 n ALA 54 N -2.45 1.92 -1.28 2.80 0.00 0.36 -3.23 120.51 118.64 2k40 n ALA 54 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2k40 n ALA 54 Cb 0.27 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.27 0.58 -0.29 0.00 4.81 -0.12 -4.98 118.16 116.90 2k40 n LYS 55 Ca 0.08 -1.15 -0.00 0.00 -0.87 0.00 0.00 58.31 56.37 2k40 n LYS 55 Cb 0.13 -0.72 0.06 0.00 0.02 0.00 0.00 35.03 34.52 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 -1.05 -1.48 3.14 6.46 -1.18 -0.09 115.31 121.11 2k40 h LEU 56 Ca 0.00 0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 2k40 h LEU 56 Cb 1.09 0.60 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2k40 h LEU 56 CO 0.00 -0.29 0.01 0.11 -0.62 0.00 0.00 178.44 177.65 2k40 h LYS 57 N -0.05 0.35 -3.29 1.25 1.57 -1.89 -3.50 116.57 111.01 2k40 h LYS 57 Ca 0.34 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2k40 h LYS 57 Cb 0.59 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2k40 h LYS 57 CO -0.84 0.37 -0.85 -2.13 -0.57 0.00 0.00 179.45 175.42 2k40 n ARG 58 N -4.35 -3.66 -0.11 3.15 0.63 -0.05 -4.62 116.66 107.65 2k40 n ARG 58 Ca 0.00 2.84 0.00 0.00 -0.92 0.00 0.00 57.85 59.77 2k40 n ARG 58 Cb 0.19 -3.53 0.00 0.00 0.45 0.00 0.00 32.46 29.57 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 -2.40 1.74 -3.37 6.15 7.64 -1.26 -4.59 113.62 117.53 2k40 n SER 59 Ca 0.00 -1.22 -0.22 0.00 1.01 0.00 0.00 58.87 58.44 2k40 n SER 59 Cb 0.40 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 2k40 n SER 59 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k40 s HIS 60 N 0.90 0.18 0.07 1.43 5.04 -1.26 -5.09 115.29 116.55 2k40 s HIS 60 Ca 0.00 -1.30 0.00 0.00 -1.54 0.00 0.00 55.06 52.22 2k40 s HIS 60 Cb 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 32.58 32.01 2k40 s HIS 60 CO 0.00 -0.92 0.00 -2.13 -2.34 0.00 0.00 174.74 169.35 2k40 n ARG 61 N 3.92 -0.69 -1.64 2.88 0.63 -1.26 -4.88 116.66 115.61 2k40 n ARG 61 Ca 0.14 0.51 -0.33 0.00 -0.92 0.00 0.00 57.85 57.25 2k40 n ARG 61 Cb 0.43 -0.56 -0.04 0.00 0.45 0.00 0.00 32.46 32.74 2k40 n ARG 61 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k40 s GLU 62 N -4.81 2.11 -0.42 -0.14 8.01 -1.26 -4.92 118.70 117.26 2k40 s GLU 62 Ca 0.00 1.14 0.02 0.00 0.01 0.00 0.00 54.97 56.14 2k40 s GLU 62 Cb 0.00 -4.60 0.12 0.00 -4.31 0.00 0.00 34.13 25.35 2k40 s GLU 62 CO 0.00 -3.37 0.19 -1.12 0.01 0.00 0.00 175.26 170.98 2k40 s SER 63 N 11.40 3.99 0.18 -0.19 0.01 -1.26 -5.11 113.70 122.72 2k40 s SER 63 Ca 0.92 -2.48 -0.31 0.00 1.31 0.00 0.00 55.95 55.40 2k40 s SER 63 Cb -0.16 -1.20 -0.09 0.00 0.21 0.00 0.00 66.02 64.78 2k40 s SER 63 CO 0.22 -0.30 1.44 0.00 0.41 0.00 0.00 173.24 175.01 2k40 s GLN 64 N 0.51 4.29 -0.05 12.44 -2.07 -1.26 -4.87 119.66 128.64 2k40 s GLN 64 Ca 0.15 2.21 -0.15 0.00 -1.82 0.00 0.00 55.36 55.75 2k40 s GLN 64 Cb -0.23 -3.17 0.03 0.00 -1.09 0.00 0.00 33.01 28.55 2k40 s GLN 64 CO -0.05 -0.44 0.35 -0.06 -1.32 0.00 0.00 175.29 173.77 2k40 s PHE 65 N 0.61 -0.27 0.26 9.60 0.08 -1.26 -5.17 117.98 121.84 2k40 s PHE 65 Ca 0.63 0.50 0.02 0.00 0.12 0.00 0.00 56.93 58.20 2k40 s PHE 65 Cb -0.40 0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.12 2k40 s PHE 65 CO 0.36 -0.36 0.06 -0.51 -0.10 0.00 0.00 175.22 174.67 2k40 s LEU 66 N -0.95 1.90 0.00 -0.37 1.43 -1.26 -5.11 118.68 114.32 2k40 s LEU 66 Ca -0.10 -1.33 0.32 0.00 -1.03 0.00 0.00 54.13 51.98 2k40 s LEU 66 Cb -0.04 -0.13 1.86 0.00 0.03 0.00 0.00 46.19 47.90 2k40 s LEU 66 CO 0.04 -0.65 2.20 1.15 0.23 0.00 0.00 176.35 179.32