#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x58 n SER 2 N 0.00 0.44 -4.44 1.61 2.88 -1.26 -5.16 113.62 107.68 1x58 n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1x58 n SER 2 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 1x58 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x58 n SER 3 N 0.00 -1.71 -0.46 -3.46 7.64 -1.26 -4.82 113.62 109.54 1x58 n SER 3 Ca 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1x58 n SER 3 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 4 N 1.18 0.21 3.57 0.23 0.00 -1.26 -5.09 105.19 104.04 1x58 n GLY 4 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1x58 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x58 s SER 5 N -0.30 1.83 0.62 1.61 1.04 -1.26 -4.85 113.70 112.40 1x58 s SER 5 Ca 0.00 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1x58 s SER 5 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x58 s SER 5 CO 0.00 -3.70 0.00 -1.20 0.98 0.00 0.00 173.24 169.32 1x58 n SER 6 N -4.60 -8.12 0.00 7.02 7.64 -1.26 -4.91 113.62 109.40 1x58 n SER 6 Ca 0.06 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.56 1x58 n SER 6 Cb 0.54 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 1x58 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 7 N -3.81 0.83 1.67 0.23 0.00 -1.25 -4.22 105.19 98.64 1x58 n GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.23 0.00 0.00 1.61 3.00 -1.26 -4.95 116.66 114.83 1x58 n ARG 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x58 n ARG 8 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.33 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x58 n LYS 9 N -3.25 0.00 -1.68 -0.14 5.02 -1.26 -5.00 118.16 111.86 1x58 n LYS 9 Ca 0.00 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.79 1x58 n LYS 9 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1x58 n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x58 n ASP 10 N -1.22 3.06 -2.79 4.39 2.03 -1.26 -3.78 116.55 116.98 1x58 n ASP 10 Ca 0.00 1.03 -0.02 0.00 0.52 0.00 0.00 54.79 56.32 1x58 n ASP 10 Cb 0.00 -1.33 -0.02 0.00 -0.72 0.00 0.00 41.12 39.05 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x58 n PHE 11 N 5.36 -3.15 -0.44 -0.67 3.01 -1.26 -4.87 117.46 115.44 1x58 n PHE 11 Ca 0.22 1.62 -0.30 0.00 1.01 0.00 0.00 57.45 60.00 1x58 n PHE 11 Cb 0.26 -3.21 0.28 0.00 -0.01 0.00 0.00 39.48 36.80 1x58 n PHE 11 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1x58 s THR 12 N -1.01 1.39 0.21 4.37 -4.23 -1.25 -3.90 115.64 111.24 1x58 s THR 12 Ca -0.10 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1x58 s THR 12 Cb 0.01 -2.09 0.16 0.00 1.34 0.00 0.00 72.50 71.92 1x58 s THR 12 CO 0.59 0.00 1.86 0.11 -0.54 0.00 0.00 174.62 176.64 1x58 h LYS 13 N -3.23 0.91 0.16 3.99 1.79 -1.91 -2.23 116.57 116.05 1x58 h LYS 13 Ca -0.48 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1x58 h LYS 13 Cb 1.34 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 1x58 h LYS 13 CO 0.34 0.60 -0.26 0.93 -1.08 0.00 0.00 179.45 179.98 1x58 h GLU 14 N 0.94 -0.47 -0.72 3.15 5.08 -1.95 -1.23 114.58 119.38 1x58 h GLU 14 Ca 0.29 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1x58 h GLU 14 Cb -0.01 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1x58 h GLU 14 CO -0.10 -0.31 0.37 0.93 -1.00 0.00 0.00 179.01 178.90 1x58 h GLU 15 N -0.49 1.03 -0.59 2.33 5.08 -1.83 -0.09 114.58 120.01 1x58 h GLU 15 Ca 0.02 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1x58 h GLU 15 Cb 0.49 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1x58 h GLU 15 CO -0.12 0.79 0.12 0.28 -1.00 0.00 0.00 179.01 179.08 1x58 h VAL 16 N 1.00 1.24 -0.17 3.13 2.07 -1.20 0.74 116.25 123.07 1x58 h VAL 16 Ca 0.25 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1x58 h VAL 16 Cb 0.08 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1x58 h VAL 16 CO -0.04 0.34 0.08 -1.13 0.02 0.00 0.00 177.57 176.84 1x58 h ASN 17 N 0.89 0.23 -0.43 0.57 -1.24 -0.17 -2.49 115.58 112.94 1x58 h ASN 17 Ca 0.19 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1x58 h ASN 17 Cb 0.36 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1x58 h ASN 17 CO 0.00 0.31 0.27 1.88 -1.29 0.00 0.00 177.43 178.60 1x58 h TYR 18 N 0.14 0.57 0.30 0.67 0.05 -0.78 0.16 116.97 118.08 1x58 h TYR 18 Ca 0.06 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1x58 h TYR 18 Cb 0.14 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1x58 h TYR 18 CO -0.02 0.37 -0.28 1.25 -1.05 0.00 0.00 178.16 178.43 1x58 h LEU 19 N 0.60 -0.75 -0.29 3.88 7.12 -0.44 0.14 115.31 125.57 1x58 h LEU 19 Ca 0.16 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 1x58 h LEU 19 Cb -0.03 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 1x58 h LEU 19 CO -0.03 -0.41 0.18 -0.26 -0.13 0.00 0.00 178.44 177.79 1x58 h PHE 20 N -0.61 0.38 -0.60 1.25 0.04 -1.11 -1.63 116.94 114.67 1x58 h PHE 20 Ca -0.02 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.80 1x58 h PHE 20 Cb 0.55 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1x58 h PHE 20 CO -0.17 0.28 0.40 0.45 -0.60 0.00 0.00 178.31 178.67 1x58 h HIS 21 N 0.38 0.62 0.01 -0.55 3.86 -0.60 -1.66 115.15 117.20 1x58 h HIS 21 Ca 0.11 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1x58 h HIS 21 Cb 0.01 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1x58 h HIS 21 CO -0.04 0.34 -0.01 0.78 0.86 0.00 0.00 177.93 179.86 1x58 h GLY 22 N 0.63 -0.02 1.75 2.45 0.00 -0.54 -3.29 103.07 104.05 1x58 h GLY 22 Ca 0.25 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1x58 h GLY 22 CO -0.07 -0.01 0.09 -2.08 0.00 0.00 0.00 176.54 174.47 1x58 h VAL 23 N -0.94 0.84 -0.18 4.60 2.07 -1.16 0.35 116.25 121.83 1x58 h VAL 23 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1x58 h VAL 23 Cb 0.79 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1x58 h VAL 23 CO 0.00 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.07 1x58 h LYS 24 N 0.00 0.03 0.00 1.57 3.11 -1.38 -1.32 116.57 118.59 1x58 h LYS 24 Ca 0.06 -0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.84 1x58 h LYS 24 Cb 0.24 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1x58 h LYS 24 CO -0.00 0.02 -1.76 -2.37 -2.81 0.00 0.00 179.45 172.53 1x58 n THR 25 N -5.16 0.41 -0.15 1.00 5.66 -0.58 -4.61 114.28 110.86 1x58 n THR 25 Ca -0.03 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1x58 n THR 25 Cb 0.11 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 -2.47 2.44 0.00 1.09 2.81 0.01 -5.11 117.12 115.88 1x58 n MET 26 Ca -0.07 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1x58 n MET 26 Cb 0.66 -0.46 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 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 0.38 -0.15 0.58 3.03 0.00 -0.50 -3.65 105.19 104.88 1x58 n GLY 27 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.43 0.79 -4.52 1.61 3.02 -1.26 -4.30 115.26 109.17 1x58 n ASN 28 Ca 0.00 -1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 1x58 n ASN 28 Cb 0.00 -0.30 -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 -0.78 2.49 -0.08 3.10 3.76 -1.24 -4.86 115.29 117.67 1x58 s HIS 29 Ca 0.00 -0.41 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 1x58 s HIS 29 Cb 0.00 -4.52 -0.29 0.00 1.11 0.00 0.00 32.58 28.88 1x58 s HIS 29 CO 0.00 -1.90 0.74 -1.49 -0.85 0.00 0.00 174.74 171.25 1x58 h TRP 30 N 9.78 0.43 -0.52 1.40 -0.00 -1.90 -2.42 115.95 122.73 1x58 h TRP 30 Ca -0.18 -0.32 0.10 0.00 -0.00 0.00 0.00 58.89 58.50 1x58 h TRP 30 Cb 1.05 -0.02 -0.09 0.00 -0.00 0.00 0.00 29.16 30.10 1x58 h TRP 30 CO 1.11 1.37 -0.09 -0.91 -0.00 0.00 0.00 178.44 179.92 1x58 h ASN 31 N -0.44 -0.40 0.10 -3.49 4.21 -1.89 0.10 115.58 113.77 1x58 h ASN 31 Ca -0.19 0.15 0.02 0.00 1.21 0.00 0.00 56.30 57.49 1x58 h ASN 31 Cb 1.60 0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 39.06 1x58 h ASN 31 CO 0.09 -0.14 -0.28 0.28 -1.29 0.00 0.00 177.43 176.09 1x58 h SER 32 N 0.03 -0.81 -0.53 5.81 0.02 -1.97 -2.31 113.55 113.79 1x58 h SER 32 Ca 0.26 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1x58 h SER 32 Cb 0.39 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1x58 h SER 32 CO -0.50 -0.37 0.33 0.40 -1.14 0.00 0.00 176.83 175.55 1x58 h ILE 33 N -0.48 1.09 -0.72 3.27 2.04 -0.87 0.16 117.51 121.99 1x58 h ILE 33 Ca 0.04 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.79 1x58 h ILE 33 Cb 0.52 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1x58 h ILE 33 CO -0.18 0.12 0.48 0.25 0.00 0.00 0.00 178.15 178.83 1x58 h LEU 34 N 0.67 0.45 0.11 1.44 6.46 -0.55 -1.45 115.31 122.43 1x58 h LEU 34 Ca 0.21 0.02 -0.34 0.00 -0.12 0.00 0.00 57.88 57.65 1x58 h LEU 34 Cb -0.02 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1x58 h LEU 34 CO -0.07 0.25 -1.84 -0.50 -0.62 0.00 0.00 178.44 175.66 1x58 h TRP 35 N 0.49 0.41 0.00 1.25 6.55 -1.10 -3.39 115.95 120.15 1x58 h TRP 35 Ca 0.35 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1x58 h TRP 35 Cb 0.68 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 1x58 h TRP 35 CO -0.00 1.55 0.00 1.03 -1.05 0.00 0.00 178.44 179.97 1x58 h SER 36 N 0.06 0.00 -5.08 -3.49 0.87 0.35 -3.45 113.55 102.81 1x58 h SER 36 Ca -0.36 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.06 1x58 h SER 36 Cb 2.04 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.81 1x58 h SER 36 CO 0.11 0.00 -0.66 -0.36 -0.53 0.00 0.00 176.83 175.39 1x58 s PHE 37 N -3.70 0.33 -0.49 2.24 0.40 -0.83 -5.05 117.98 110.88 1x58 s PHE 37 Ca 0.00 -0.70 -0.28 0.00 -0.60 0.00 0.00 56.93 55.35 1x58 s PHE 37 Cb 0.10 -0.25 0.03 0.00 0.51 0.00 0.00 43.02 43.41 1x58 s PHE 37 CO 0.46 -0.28 1.10 -1.25 0.70 0.00 0.00 175.22 175.95 1x58 s PRO 38 N -2.46 3.66 0.49 0.24 0.04 -1.26 -4.77 135.00 130.94 1x58 s PRO 38 Ca -0.07 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.47 1x58 s PRO 38 Cb -0.03 -3.93 0.05 0.00 0.04 0.00 0.00 34.50 30.64 1x58 s PRO 38 CO -0.05 -1.39 0.44 1.19 0.04 0.00 0.00 177.00 177.24 1x58 n PHE 39 N 7.77 -1.08 -1.10 0.56 3.72 -1.26 -4.76 117.46 121.31 1x58 n PHE 39 Ca 0.10 -2.00 -0.30 0.00 -0.05 0.00 0.00 57.45 55.20 1x58 n PHE 39 Cb 0.49 -0.41 0.14 0.00 -0.94 0.00 0.00 39.48 38.75 1x58 n PHE 39 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1x58 s GLN 40 N -4.06 1.38 0.49 -1.08 -0.21 -1.26 -5.01 119.66 109.91 1x58 s GLN 40 Ca 0.33 1.05 -0.22 0.00 0.02 0.00 0.00 55.36 56.54 1x58 s GLN 40 Cb -0.03 -1.81 -0.07 0.00 1.00 0.00 0.00 33.01 32.11 1x58 s GLN 40 CO 0.21 -2.22 1.15 0.15 -2.12 0.00 0.00 175.29 172.46 1x58 s LYS 41 N -4.85 3.64 0.00 2.91 3.01 -1.26 -3.42 119.74 119.78 1x58 s LYS 41 Ca 0.64 1.71 0.00 0.00 -1.01 0.00 0.00 55.97 57.31 1x58 s LYS 41 Cb -0.19 -2.28 0.00 0.00 -1.01 0.00 0.00 37.83 34.35 1x58 s LYS 41 CO 0.57 -0.64 0.00 0.41 0.51 0.00 0.00 175.35 176.21 1x58 n GLY 42 N 0.34 0.26 3.75 -3.33 0.00 -1.26 -4.96 105.19 99.99 1x58 n GLY 42 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1x58 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x58 n ARG 43 N -1.12 2.68 -2.63 1.61 5.12 -1.22 -5.02 116.66 116.08 1x58 n ARG 43 Ca 0.00 0.95 -0.24 0.00 -1.93 0.00 0.00 57.85 56.63 1x58 n ARG 43 Cb 0.18 -2.72 0.03 0.00 -1.16 0.00 0.00 32.46 28.79 1x58 n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x58 s ARG 44 N -0.73 2.74 0.30 5.56 0.52 -1.26 -5.00 118.95 121.08 1x58 s ARG 44 Ca 0.63 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.39 1x58 s ARG 44 Cb -0.50 -2.41 0.47 0.00 0.52 0.00 0.00 34.95 33.03 1x58 s ARG 44 CO 0.51 -0.65 1.94 0.00 0.02 0.00 0.00 175.30 177.12 1x58 h ALA 45 N 0.02 1.45 0.00 2.13 0.00 -1.95 -2.58 119.26 118.33 1x58 h ALA 45 Ca -0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1x58 h ALA 45 Cb 1.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1x58 h ALA 45 CO 0.57 0.46 -0.14 -0.39 0.00 0.00 0.00 179.25 179.75 1x58 h VAL 46 N 1.09 0.86 -0.79 0.00 -1.51 -1.94 -2.16 116.25 111.81 1x58 h VAL 46 Ca 0.35 -0.53 0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1x58 h VAL 46 Cb 0.02 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 30.45 1x58 h VAL 46 CO -0.10 0.14 0.52 0.44 -1.23 0.00 0.00 177.57 177.34 1x58 h ASP 47 N 0.00 0.88 0.00 4.19 3.32 -1.85 0.26 116.42 123.23 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 0.30 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1x58 h ASP 47 CO 0.02 0.63 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.10 1x58 h LEU 48 N 1.04 -0.00 -0.84 1.55 3.38 -1.51 -0.19 115.31 118.73 1x58 h LEU 48 Ca 0.30 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1x58 h LEU 48 Cb -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1x58 h LEU 48 CO -0.07 0.29 0.55 0.00 0.09 0.00 0.00 178.44 179.30 1x58 h ALA 49 N 0.70 1.09 0.15 1.53 0.00 -1.32 0.50 119.26 121.91 1x58 h ALA 49 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x58 h ALA 49 Cb 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x58 h ALA 49 CO 0.00 0.43 -0.07 1.25 0.00 0.00 0.00 179.25 180.86 1x58 h HIS 50 N 1.10 -0.19 -0.59 0.00 -0.00 -0.46 -0.07 115.15 114.94 1x58 h HIS 50 Ca 0.32 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 1x58 h HIS 50 Cb -0.07 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1x58 h HIS 50 CO -0.02 0.19 0.38 -0.22 -0.00 0.00 0.00 177.93 178.26 1x58 h LYS 51 N -0.62 0.76 -0.19 5.26 3.11 -0.78 -0.18 116.57 123.93 1x58 h LYS 51 Ca -0.02 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 57.82 1x58 h LYS 51 Cb 0.46 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.48 1x58 h LYS 51 CO 0.03 0.50 -0.09 -0.92 -2.81 0.00 0.00 179.45 176.17 1x58 h TYR 52 N 0.78 -0.20 -0.65 1.91 3.20 -0.90 0.28 116.97 121.38 1x58 h TYR 52 Ca 0.22 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1x58 h TYR 52 Cb -0.06 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.24 1x58 h TYR 52 CO -0.04 -0.14 0.17 1.25 -1.64 0.00 0.00 178.16 177.77 1x58 h HIS 53 N -0.06 0.28 0.00 -3.82 2.76 -0.33 0.24 115.15 114.22 1x58 h HIS 53 Ca 0.10 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1x58 h HIS 53 Cb 0.21 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1x58 h HIS 53 CO -0.24 -0.02 -0.38 0.00 -1.30 0.00 0.00 177.93 176.00 1x58 h ARG 54 N 0.30 0.00 0.41 5.26 2.47 -0.28 -0.06 114.38 122.48 1x58 h ARG 54 Ca 0.35 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.05 1x58 h ARG 54 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1x58 h ARG 54 CO -0.42 0.38 -0.20 -0.07 0.56 0.00 0.00 179.97 180.22 1x58 h LEU 55 N 0.00 -0.47 -1.67 3.04 3.38 0.11 -3.32 115.31 116.38 1x58 h LEU 55 Ca -0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1x58 h LEU 55 Cb 0.89 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1x58 h LEU 55 CO 0.05 -0.03 -0.19 0.16 0.09 0.00 0.00 178.44 178.52 1x58 h ILE 56 N -1.08 0.96 0.00 1.22 3.07 -1.02 -3.47 117.51 117.19 1x58 h ILE 56 Ca -0.06 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1x58 h ILE 56 Cb 0.50 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1x58 h ILE 56 CO 0.09 0.19 0.00 -1.20 -1.05 0.00 0.00 178.15 176.18 1x58 n SER 57 N -4.06 0.00 0.00 2.16 7.64 -0.04 -4.93 113.62 114.39 1x58 n SER 57 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1x58 n SER 57 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1x58 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 58 N 0.00 2.18 2.43 0.23 0.00 -1.26 -4.74 105.19 104.02 1x58 n GLY 58 Ca 0.00 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 1x58 n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x58 n PRO 59 N -1.17 3.57 -2.67 1.61 -0.04 -1.26 -4.89 135.00 130.15 1x58 n PRO 59 Ca 0.00 -2.41 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 1x58 n PRO 59 Cb 0.00 -2.90 -0.03 0.00 -0.04 0.00 0.00 33.50 30.52 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 2.25 6.23 -0.28 3.54 0.15 -1.26 -4.45 113.70 119.89 1x58 s SER 60 Ca 0.63 -0.84 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 1x58 s SER 60 Cb 0.17 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1x58 s SER 60 CO -0.07 -1.63 0.22 -0.24 1.20 0.00 0.00 173.24 172.72 1x58 n SER 61 N 8.64 -6.51 -0.58 5.45 2.88 -1.26 -5.28 113.62 116.96 1x58 n SER 61 Ca 0.06 0.75 0.14 0.00 -1.33 0.00 0.00 58.87 58.49 1x58 n SER 61 Cb 0.48 -4.29 0.43 0.00 -0.75 0.00 0.00 64.21 60.08 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42