#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x58 s SER 2 N 0.00 1.81 0.61 1.61 0.01 -1.26 -5.15 113.70 111.33 1x58 s SER 2 Ca 0.00 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.49 1x58 s SER 2 Cb 0.00 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 1x58 s SER 2 CO 0.00 -0.03 1.17 -0.55 0.41 0.00 0.00 173.24 174.23 1x58 s SER 3 N -1.64 5.22 0.00 2.44 0.15 -1.26 -4.97 113.70 113.65 1x58 s SER 3 Ca 0.00 2.25 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1x58 s SER 3 Cb -0.10 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1x58 s SER 3 CO 0.02 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.51 1x58 n GLY 4 N 0.20 -0.02 2.44 9.45 0.00 -1.26 -5.05 105.19 110.95 1x58 n GLY 4 Ca 0.12 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1x58 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x58 n SER 5 N -0.80 -5.42 -4.57 1.61 2.88 -1.26 -4.98 113.62 101.08 1x58 n SER 5 Ca 0.00 0.18 -0.28 0.00 -1.33 0.00 0.00 58.87 57.44 1x58 n SER 5 Cb 0.00 -4.52 -0.10 0.00 -0.75 0.00 0.00 64.21 58.85 1x58 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x58 s SER 6 N -2.41 3.54 0.00 -3.46 0.15 -1.26 -5.04 113.70 105.22 1x58 s SER 6 Ca 0.00 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1x58 s SER 6 Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1x58 s SER 6 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1x58 n GLY 7 N -1.00 -1.02 0.50 9.45 0.00 -1.26 -4.06 105.19 107.79 1x58 n GLY 7 Ca -0.09 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 44.91 1x58 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x58 n ARG 8 N 0.00 -1.21 -3.22 1.61 0.63 0.10 -4.94 116.66 109.62 1x58 n ARG 8 Ca 0.00 0.97 -0.18 0.00 -0.92 0.00 0.00 57.85 57.73 1x58 n ARG 8 Cb 0.00 -1.32 0.02 0.00 0.45 0.00 0.00 32.46 31.61 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x58 n LYS 9 N -2.45 -1.63 -2.54 -0.14 5.02 -1.26 -4.52 118.16 110.65 1x58 n LYS 9 Ca -0.02 1.47 -0.04 0.00 -2.02 0.00 0.00 58.31 57.69 1x58 n LYS 9 Cb 0.20 -2.58 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x58 n ASP 10 N 0.39 -3.19 0.00 4.39 8.00 -1.26 -5.05 116.55 119.83 1x58 n ASP 10 Ca -0.02 1.51 0.00 0.00 0.71 0.00 0.00 54.79 56.99 1x58 n ASP 10 Cb 0.51 -5.17 0.00 0.00 -0.02 0.00 0.00 41.12 36.44 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1x58 n PHE 11 N 1.79 0.00 -2.12 1.24 3.01 -1.26 -5.00 117.46 115.12 1x58 n PHE 11 Ca -0.29 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 57.89 1x58 n PHE 11 Cb 0.45 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.09 1x58 n PHE 11 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1x58 s THR 12 N -0.29 2.03 0.40 4.37 -1.32 -1.26 -0.73 115.64 118.85 1x58 s THR 12 Ca 0.00 -0.17 0.12 0.00 -1.21 0.00 0.00 61.69 60.43 1x58 s THR 12 Cb 0.00 -2.85 0.33 0.00 -1.51 0.00 0.00 72.50 68.47 1x58 s THR 12 CO 0.00 0.00 1.93 0.11 -2.21 0.00 0.00 174.62 174.45 1x58 h LYS 13 N -1.35 0.51 0.78 7.08 1.57 -1.93 -2.65 116.57 120.58 1x58 h LYS 13 Ca -0.42 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 1x58 h LYS 13 Cb 1.24 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1x58 h LYS 13 CO 0.37 0.34 -0.37 0.93 -0.57 0.00 0.00 179.45 180.15 1x58 h GLU 14 N 0.53 -1.01 -0.99 3.15 4.39 -1.94 0.81 114.58 119.53 1x58 h GLU 14 Ca 0.36 0.07 0.02 0.00 0.34 0.00 0.00 59.36 60.15 1x58 h GLU 14 Cb 0.65 0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1x58 h GLU 14 CO -0.12 -0.67 0.65 0.93 -1.16 0.00 0.00 179.01 178.64 1x58 h GLU 15 N -1.05 1.27 -0.91 2.33 3.07 -1.85 -0.13 114.58 117.30 1x58 h GLU 15 Ca -0.11 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1x58 h GLU 15 Cb 0.80 -0.29 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1x58 h GLU 15 CO 0.18 0.84 0.57 0.28 -1.40 0.00 0.00 179.01 179.47 1x58 h VAL 16 N 1.30 1.25 0.06 3.13 2.07 -1.38 0.21 116.25 122.89 1x58 h VAL 16 Ca 0.37 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1x58 h VAL 16 Cb -0.09 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1x58 h VAL 16 CO -0.10 0.25 -0.13 0.78 0.02 0.00 0.00 177.57 178.39 1x58 h ASN 17 N 1.25 -0.37 -0.30 0.57 2.35 0.41 -1.65 115.58 117.84 1x58 h ASN 17 Ca 0.33 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 1x58 h ASN 17 Cb -0.09 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1x58 h ASN 17 CO -0.07 -0.20 0.17 1.88 -1.65 0.00 0.00 177.43 177.56 1x58 h TYR 18 N -0.26 0.45 0.65 1.19 0.05 -0.65 0.11 116.97 118.51 1x58 h TYR 18 Ca 0.03 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1x58 h TYR 18 Cb 0.28 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 37.88 1x58 h TYR 18 CO -0.16 0.33 -0.31 1.25 -1.05 0.00 0.00 178.16 178.22 1x58 h LEU 19 N 0.47 -0.74 -0.52 3.88 7.12 -0.20 0.66 115.31 125.99 1x58 h LEU 19 Ca 0.12 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.09 1x58 h LEU 19 Cb 0.04 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1x58 h LEU 19 CO -0.02 -0.48 0.15 -0.26 -0.13 0.00 0.00 178.44 177.70 1x58 h PHE 20 N -0.94 0.84 0.13 1.25 0.04 -0.86 -0.65 116.94 116.75 1x58 h PHE 20 Ca -0.09 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.61 1x58 h PHE 20 Cb 0.69 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1x58 h PHE 20 CO -0.02 0.73 -0.26 0.45 -0.60 0.00 0.00 178.31 178.61 1x58 h HIS 21 N 0.71 -0.69 0.44 -0.55 3.86 -0.77 -0.38 115.15 117.77 1x58 h HIS 21 Ca 0.17 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1x58 h HIS 21 Cb 0.29 0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 1x58 h HIS 21 CO 0.02 -0.36 -0.48 0.78 0.86 0.00 0.00 177.93 178.74 1x58 h GLY 22 N -0.47 -1.17 2.00 2.45 0.00 -0.74 -1.95 103.07 103.19 1x58 h GLY 22 Ca 0.03 0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1x58 h GLY 22 CO -0.14 -0.35 -0.02 -2.08 0.00 0.00 0.00 176.54 173.95 1x58 h VAL 23 N -0.94 0.21 0.01 4.60 2.07 -1.04 0.99 116.25 122.15 1x58 h VAL 23 Ca -0.05 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 1x58 h VAL 23 Cb 0.83 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1x58 h VAL 23 CO -0.09 0.02 -0.62 0.50 0.02 0.00 0.00 177.57 177.40 1x58 h LYS 24 N 0.00 0.41 0.00 1.57 3.11 -0.55 -2.22 116.57 118.88 1x58 h LYS 24 Ca -0.00 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1x58 h LYS 24 Cb 0.10 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1x58 h LYS 24 CO 0.00 1.12 -1.27 -2.37 -2.81 0.00 0.00 179.45 174.11 1x58 n THR 25 N -4.21 0.19 -0.01 1.00 5.66 -0.68 -4.39 114.28 111.86 1x58 n THR 25 Ca -0.11 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1x58 n THR 25 Cb 0.69 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 1x58 n THR 25 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1x58 n MET 26 N -2.13 4.53 0.00 1.09 2.81 0.26 -5.09 117.12 118.59 1x58 n MET 26 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1x58 n MET 26 Cb 0.48 -0.34 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1x58 n MET 26 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x58 n GLY 27 N 0.65 0.84 0.44 3.03 0.00 -0.84 -4.00 105.19 105.32 1x58 n GLY 27 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1x58 n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x58 n ASN 28 N -2.62 0.59 -4.55 1.61 3.02 -1.26 -4.20 115.26 107.84 1x58 n ASN 28 Ca 0.00 -1.32 -0.39 0.00 -0.03 0.00 0.00 54.58 52.84 1x58 n ASN 28 Cb 0.00 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1x58 s HIS 29 N -1.11 2.09 0.01 3.10 3.76 -1.26 -4.87 115.29 117.02 1x58 s HIS 29 Ca 0.00 0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.85 1x58 s HIS 29 Cb 0.00 -4.42 -0.22 0.00 1.11 0.00 0.00 32.58 29.05 1x58 s HIS 29 CO 0.00 -2.09 1.13 -1.49 -0.85 0.00 0.00 174.74 171.45 1x58 h TRP 30 N 11.56 0.62 -0.16 1.40 4.06 -1.90 -2.52 115.95 129.01 1x58 h TRP 30 Ca -0.15 -0.32 -0.01 0.00 2.06 0.00 0.00 58.89 60.47 1x58 h TRP 30 Cb 1.07 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1x58 h TRP 30 CO 1.14 1.12 0.08 -0.91 -3.56 0.00 0.00 178.44 176.31 1x58 h ASN 31 N -0.06 0.21 -0.52 -3.49 2.35 -1.89 -1.31 115.58 110.87 1x58 h ASN 31 Ca -0.06 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1x58 h ASN 31 Cb 1.25 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 39.50 1x58 h ASN 31 CO 0.11 0.27 0.13 0.28 -1.65 0.00 0.00 177.43 176.57 1x58 h SER 32 N 0.13 0.07 -0.38 5.81 0.02 -1.98 -2.10 113.55 115.12 1x58 h SER 32 Ca 0.05 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1x58 h SER 32 Cb 0.12 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1x58 h SER 32 CO -0.01 0.06 0.21 0.40 -1.14 0.00 0.00 176.83 176.36 1x58 h ILE 33 N 0.28 1.03 -0.23 3.27 2.04 -1.02 0.27 117.51 123.15 1x58 h ILE 33 Ca 0.26 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1x58 h ILE 33 Cb 0.33 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1x58 h ILE 33 CO -0.31 0.08 0.34 0.25 0.00 0.00 0.00 178.15 178.51 1x58 h LEU 34 N 0.43 0.00 0.00 1.44 6.46 -0.55 -2.12 115.31 120.98 1x58 h LEU 34 Ca 0.15 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.70 1x58 h LEU 34 Cb 0.02 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1x58 h LEU 34 CO -0.08 0.00 -1.80 0.79 -0.62 0.00 0.00 178.44 176.73 1x58 n TRP 35 N -3.51 0.00 0.29 1.25 8.01 -0.93 -4.45 117.44 118.11 1x58 n TRP 35 Ca 0.03 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.40 1x58 n TRP 35 Cb 0.46 -0.57 0.99 0.00 -2.01 0.00 0.00 31.31 30.19 1x58 n TRP 35 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1x58 h SER 36 N 0.00 0.00 -4.94 -0.99 0.87 0.22 -3.43 113.55 105.28 1x58 h SER 36 Ca -0.32 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.07 1x58 h SER 36 Cb 1.68 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.48 1x58 h SER 36 CO 0.01 0.00 -0.69 -0.36 -0.53 0.00 0.00 176.83 175.25 1x58 s PHE 37 N -4.43 0.63 -0.50 2.24 0.40 -1.10 -5.06 117.98 110.16 1x58 s PHE 37 Ca -0.05 -0.90 -0.28 0.00 -0.60 0.00 0.00 56.93 55.11 1x58 s PHE 37 Cb 0.14 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.29 1x58 s PHE 37 CO 0.48 -0.25 1.07 -1.25 0.70 0.00 0.00 175.22 175.97 1x58 s PRO 38 N -3.37 3.61 0.33 0.24 0.04 -1.26 -4.79 135.00 129.79 1x58 s PRO 38 Ca 0.04 0.34 0.07 0.00 0.04 0.00 0.00 61.00 61.49 1x58 s PRO 38 Cb 0.03 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 1x58 s PRO 38 CO -0.06 -1.40 0.42 -0.06 0.04 0.00 0.00 177.00 175.94 1x58 s PHE 39 N 4.31 3.08 0.39 0.56 0.08 -1.26 -4.88 117.98 120.26 1x58 s PHE 39 Ca 0.43 -0.23 -0.25 0.00 0.12 0.00 0.00 56.93 57.00 1x58 s PHE 39 Cb -0.08 -1.92 -0.11 0.00 -0.57 0.00 0.00 43.02 40.34 1x58 s PHE 39 CO 0.29 0.06 1.09 1.04 -0.10 0.00 0.00 175.22 177.60 1x58 n GLN 40 N -1.56 1.55 -1.40 0.44 6.02 -1.26 -4.96 117.38 116.21 1x58 n GLN 40 Ca -0.01 0.55 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 1x58 n GLN 40 Cb 0.58 -2.11 0.08 0.00 1.02 0.00 0.00 30.24 29.81 1x58 n GLN 40 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1x58 s LYS 41 N -1.97 2.46 0.00 -1.09 -0.14 -1.26 -3.16 119.74 114.57 1x58 s LYS 41 Ca 0.61 1.18 0.00 0.00 -1.36 0.00 0.00 55.97 56.41 1x58 s LYS 41 Cb -0.57 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1x58 s LYS 41 CO 0.58 -1.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.09 1x58 n GLY 42 N -1.17 1.02 3.77 -3.33 0.00 -1.26 -5.00 105.19 99.23 1x58 n GLY 42 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1x58 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x58 s ARG 43 N -0.26 4.10 0.56 1.61 1.81 -1.19 -5.03 118.95 120.57 1x58 s ARG 43 Ca 0.00 2.29 -0.09 0.00 -1.72 0.00 0.00 55.73 56.21 1x58 s ARG 43 Cb 0.00 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 1x58 s ARG 43 CO 0.00 -0.43 0.94 1.03 -0.68 0.00 0.00 175.30 176.16 1x58 s ARG 44 N -2.08 3.58 0.29 3.54 0.52 -1.26 -4.98 118.95 118.56 1x58 s ARG 44 Ca 0.54 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 56.27 1x58 s ARG 44 Cb -0.41 -2.19 0.44 0.00 0.52 0.00 0.00 34.95 33.31 1x58 s ARG 44 CO 0.54 -0.42 1.92 0.00 0.02 0.00 0.00 175.30 177.36 1x58 h ALA 45 N -0.08 1.43 0.00 2.13 0.00 -1.96 -2.54 119.26 118.24 1x58 h ALA 45 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1x58 h ALA 45 Cb 1.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1x58 h ALA 45 CO 0.62 0.47 -0.11 -0.39 0.00 0.00 0.00 179.25 179.83 1x58 h VAL 46 N 1.14 0.52 -0.16 0.00 -1.51 -1.93 -2.11 116.25 112.20 1x58 h VAL 46 Ca 0.38 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1x58 h VAL 46 Cb 0.06 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1x58 h VAL 46 CO -0.12 0.11 0.02 0.44 -1.23 0.00 0.00 177.57 176.79 1x58 h ASP 47 N 0.00 0.20 -0.01 4.19 3.32 -1.84 0.37 116.42 122.65 1x58 h ASP 47 Ca -0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1x58 h ASP 47 Cb 0.35 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1x58 h ASP 47 CO 0.01 0.22 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.68 1x58 h LEU 48 N 0.22 0.03 -0.76 1.55 3.38 -1.51 0.64 115.31 118.86 1x58 h LEU 48 Ca 0.05 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1x58 h LEU 48 Cb 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1x58 h LEU 48 CO -0.00 0.45 0.39 0.00 0.09 0.00 0.00 178.44 179.37 1x58 h ALA 49 N 0.58 0.98 -0.22 1.53 0.00 -1.40 0.16 119.26 120.88 1x58 h ALA 49 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1x58 h ALA 49 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x58 h ALA 49 CO 0.00 0.52 0.02 1.25 0.00 0.00 0.00 179.25 181.04 1x58 h HIS 50 N 1.06 0.41 -0.27 0.00 6.17 -0.29 -0.38 115.15 121.85 1x58 h HIS 50 Ca 0.26 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.28 1x58 h HIS 50 Cb 0.08 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 1x58 h HIS 50 CO 0.01 0.54 0.17 -0.22 0.71 0.00 0.00 177.93 179.13 1x58 h LYS 51 N 0.17 0.37 -0.56 5.26 1.63 -0.49 -2.87 116.57 120.08 1x58 h LYS 51 Ca 0.07 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1x58 h LYS 51 Cb 0.36 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 1x58 h LYS 51 CO 0.01 0.29 0.29 -0.92 -3.45 0.00 0.00 179.45 175.67 1x58 h TYR 52 N 0.35 0.52 -1.00 1.91 3.20 -0.55 0.13 116.97 121.53 1x58 h TYR 52 Ca 0.10 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.17 1x58 h TYR 52 Cb 0.02 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.03 1x58 h TYR 52 CO -0.04 0.25 0.62 0.45 -1.64 0.00 0.00 178.16 177.79 1x58 h HIS 53 N 0.54 1.07 0.00 -3.82 3.86 -0.89 0.30 115.15 116.20 1x58 h HIS 53 Ca 0.25 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1x58 h HIS 53 Cb 0.17 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1x58 h HIS 53 CO -0.10 0.26 -0.16 0.00 0.86 0.00 0.00 177.93 178.79 1x58 h ARG 54 N 0.78 0.00 0.00 2.45 2.47 -0.74 0.25 114.38 119.59 1x58 h ARG 54 Ca 0.57 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 1x58 h ARG 54 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1x58 h ARG 54 CO -0.36 0.02 0.00 1.28 0.56 0.00 0.00 179.97 181.47 1x58 n LEU 55 N -3.05 0.22 -0.03 3.04 4.77 0.22 -2.90 117.00 119.27 1x58 n LEU 55 Ca 0.03 0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1x58 n LEU 55 Cb 0.54 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1x58 n LEU 55 CO 0.35 -0.20 -0.73 2.30 -1.33 0.00 0.00 177.39 177.78 1x58 n ILE 56 N -1.73 0.36 -3.19 -0.08 -5.35 -0.40 -4.72 119.36 104.24 1x58 n ILE 56 Ca 0.05 -0.34 -0.40 0.00 -0.27 0.00 0.00 62.75 61.79 1x58 n ILE 56 Cb 0.28 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.90 1x58 n ILE 56 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1x58 n SER 57 N -2.13 5.59 -4.56 7.28 7.64 0.86 -5.02 113.62 123.28 1x58 n SER 57 Ca -0.09 -3.34 -0.27 0.00 1.01 0.00 0.00 58.87 56.17 1x58 n SER 57 Cb 0.57 -1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 1x58 n SER 57 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x58 s GLY 58 N -1.34 1.73 0.00 0.23 0.00 -1.14 -4.51 107.32 102.29 1x58 s GLY 58 Ca 0.32 -1.45 0.22 0.00 0.00 0.00 0.00 44.72 43.81 1x58 s GLY 58 CO 0.04 -1.47 1.83 -1.55 0.00 0.00 0.00 173.10 171.95 1x58 n PRO 59 N 0.13 1.01 -3.75 2.90 -0.04 -1.26 -4.77 135.00 129.22 1x58 n PRO 59 Ca -0.11 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1x58 n PRO 59 Cb 0.55 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1x58 n PRO 59 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x58 s SER 60 N -1.68 -0.31 -0.48 3.54 0.15 -1.26 -5.08 113.70 108.58 1x58 s SER 60 Ca 0.33 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.52 1x58 s SER 60 Cb 0.15 0.57 0.20 0.00 -1.71 0.00 0.00 66.02 65.23 1x58 s SER 60 CO 0.25 -0.25 0.66 -1.20 1.20 0.00 0.00 173.24 173.90 1x58 n SER 61 N 2.27 -2.53 0.00 5.45 7.64 -1.26 -5.12 113.62 120.07 1x58 n SER 61 Ca -0.16 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1x58 n SER 61 Cb 0.57 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64