#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 0.00 -4.69 1.61 7.64 -1.26 -4.93 113.62 111.99 1x58 n SER 2 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1x58 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1x58 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x58 n SER 3 N 0.00 3.46 -1.06 6.43 7.64 -1.26 -4.90 113.62 123.93 1x58 n SER 3 Ca 0.00 1.08 0.11 0.00 1.01 0.00 0.00 58.87 61.07 1x58 n SER 3 Cb 0.00 -1.49 0.27 0.00 -1.01 0.00 0.00 64.21 61.98 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 3.55 1.60 3.55 0.23 0.00 -1.26 -4.99 105.19 107.86 1x58 n GLY 4 Ca 0.16 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1x58 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 s SER 5 N -1.26 1.59 0.22 1.61 0.01 -1.26 -5.08 113.70 109.53 1x58 s SER 5 Ca 0.39 1.70 -0.22 0.00 1.31 0.00 0.00 55.95 59.13 1x58 s SER 5 Cb 0.21 -2.37 0.04 0.00 0.21 0.00 0.00 66.02 64.12 1x58 s SER 5 CO 0.29 -3.85 0.66 -0.94 0.41 0.00 0.00 173.24 169.81 1x58 s SER 6 N -2.60 -0.41 0.01 2.44 1.04 -1.26 -5.12 113.70 107.79 1x58 s SER 6 Ca 0.68 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1x58 s SER 6 Cb -0.24 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1x58 s SER 6 CO 0.62 -1.16 -0.04 -0.83 0.98 0.00 0.00 173.24 172.81 1x58 s GLY 7 N -2.84 0.25 0.19 7.32 0.00 -1.26 -4.83 107.32 106.15 1x58 s GLY 7 Ca 0.06 -0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1x58 s GLY 7 CO -0.03 -0.32 0.72 0.50 0.00 0.00 0.00 173.10 173.97 1x58 s ARG 8 N -0.52 1.41 2.14 2.90 0.52 -0.88 -3.18 118.95 121.34 1x58 s ARG 8 Ca -0.02 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1x58 s ARG 8 Cb -0.04 0.55 0.00 0.00 0.52 0.00 0.00 34.95 35.98 1x58 s ARG 8 CO -0.00 -0.63 0.00 1.63 0.02 0.00 0.00 175.30 176.31 1x58 n LYS 9 N -0.41 0.00 -3.66 3.54 4.76 -1.26 -4.47 118.16 116.67 1x58 n LYS 9 Ca -0.10 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.97 1x58 n LYS 9 Cb 0.62 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.70 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x58 s ASP 10 N -4.00 5.80 0.12 4.39 1.11 -1.26 -4.73 116.67 118.10 1x58 s ASP 10 Ca 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.69 1x58 s ASP 10 Cb 0.00 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.93 1x58 s ASP 10 CO 0.00 -0.02 0.00 0.49 1.18 0.00 0.00 175.17 176.82 1x58 n PHE 11 N 4.84 -2.43 -1.46 4.23 3.01 -1.26 -5.01 117.46 119.37 1x58 n PHE 11 Ca -0.15 1.43 -0.29 0.00 1.01 0.00 0.00 57.45 59.45 1x58 n PHE 11 Cb 0.52 -2.78 0.17 0.00 -0.01 0.00 0.00 39.48 37.38 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 -0.51 1.91 0.65 4.37 -4.23 -1.26 -2.07 115.64 114.49 1x58 s THR 12 Ca 0.00 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 60.84 1x58 s THR 12 Cb 0.00 -2.70 0.35 0.00 1.34 0.00 0.00 72.50 71.48 1x58 s THR 12 CO 0.00 0.00 2.04 0.50 -0.54 0.00 0.00 174.62 176.62 1x58 h LYS 13 N -1.82 0.00 0.04 3.99 3.64 -1.87 -1.75 116.57 118.80 1x58 h LYS 13 Ca -0.49 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.59 1x58 h LYS 13 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 1x58 h LYS 13 CO 0.51 0.00 -1.71 0.93 -2.27 0.00 0.00 179.45 176.91 1x58 h GLU 14 N 0.00 0.08 -0.33 1.90 5.08 -1.92 -1.91 114.58 117.48 1x58 h GLU 14 Ca 0.04 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1x58 h GLU 14 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1x58 h GLU 14 CO -0.00 0.74 -0.28 0.93 -1.00 0.00 0.00 179.01 179.39 1x58 h GLU 15 N 0.02 0.77 0.00 2.33 3.07 -1.76 -2.15 114.58 116.87 1x58 h GLU 15 Ca -0.30 -0.39 -0.03 0.00 -0.50 0.00 0.00 59.36 58.15 1x58 h GLU 15 Cb 2.01 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.92 1x58 h GLU 15 CO 0.09 1.02 -0.12 0.28 -1.40 0.00 0.00 179.01 178.88 1x58 h VAL 16 N 0.54 1.03 0.71 3.13 2.07 -1.44 0.33 116.25 122.61 1x58 h VAL 16 Ca 0.06 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1x58 h VAL 16 Cb 0.85 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1x58 h VAL 16 CO 0.07 0.12 -0.45 -1.13 0.02 0.00 0.00 177.57 176.20 1x58 h ASN 17 N 0.00 -1.16 0.02 0.57 -1.24 -0.93 -2.53 115.58 110.32 1x58 h ASN 17 Ca -0.00 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1x58 h ASN 17 Cb 0.22 0.34 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 1x58 h ASN 17 CO 0.02 -0.69 -0.02 1.88 -1.29 0.00 0.00 177.43 177.33 1x58 h TYR 18 N -1.10 0.00 0.55 0.67 0.05 -0.75 -0.46 116.97 115.93 1x58 h TYR 18 Ca -0.09 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1x58 h TYR 18 Cb 0.89 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.63 1x58 h TYR 18 CO -0.12 0.02 -0.26 1.25 -1.05 0.00 0.00 178.16 177.99 1x58 h LEU 19 N 0.00 -0.62 -1.28 3.88 7.12 -0.75 0.26 115.31 123.92 1x58 h LEU 19 Ca -0.00 -0.04 -0.07 0.00 0.13 0.00 0.00 57.88 57.90 1x58 h LEU 19 Cb 0.03 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1x58 h LEU 19 CO 0.00 -0.24 -0.34 -0.26 -0.13 0.00 0.00 178.44 177.46 1x58 h PHE 20 N -1.08 0.00 -0.47 1.25 0.04 -1.33 -0.92 116.94 114.43 1x58 h PHE 20 Ca -0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1x58 h PHE 20 Cb 0.63 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 1x58 h PHE 20 CO 0.01 0.34 0.09 1.25 -0.60 0.00 0.00 178.31 179.41 1x58 h HIS 21 N 0.00 0.81 0.15 -0.55 2.76 -1.04 -3.07 115.15 114.21 1x58 h HIS 21 Ca -0.00 -0.11 -0.21 0.00 -2.20 0.00 0.00 60.37 57.85 1x58 h HIS 21 Cb 0.67 -0.22 0.02 0.00 1.55 0.00 0.00 27.41 29.43 1x58 h HIS 21 CO 0.00 0.74 -0.95 0.78 -1.30 0.00 0.00 177.93 177.21 1x58 h GLY 22 N 0.64 0.36 2.00 5.26 0.00 0.01 -3.13 103.07 108.20 1x58 h GLY 22 Ca 0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1x58 h GLY 22 CO 0.01 0.80 -0.09 -2.08 0.00 0.00 0.00 176.54 175.18 1x58 h VAL 23 N -0.32 0.73 -0.27 4.60 2.07 -1.32 -0.09 116.25 121.65 1x58 h VAL 23 Ca -0.17 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1x58 h VAL 23 Cb 1.70 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1x58 h VAL 23 CO 0.15 0.09 -0.05 0.50 0.02 0.00 0.00 177.57 178.28 1x58 h LYS 24 N 0.00 0.42 0.00 1.57 3.11 -1.47 -1.17 116.57 119.03 1x58 h LYS 24 Ca -0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1x58 h LYS 24 Cb 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1x58 h LYS 24 CO 0.01 0.48 -0.65 -2.37 -2.81 0.00 0.00 179.45 174.11 1x58 n THR 25 N -4.28 1.21 0.19 1.00 5.66 -0.99 -4.71 114.28 112.36 1x58 n THR 25 Ca 0.01 0.23 0.08 0.00 -3.05 0.00 0.00 64.05 61.31 1x58 n THR 25 Cb 0.25 -2.22 0.27 0.00 -1.55 0.00 0.00 70.33 67.08 1x58 n THR 25 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1x58 h MET 26 N -0.83 0.00 0.00 1.09 2.86 -1.11 -3.50 114.93 113.45 1x58 h MET 26 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1x58 h MET 26 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1x58 h MET 26 CO 0.00 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.67 1x58 n GLY 27 N 0.67 0.20 0.00 8.32 0.00 -0.44 -3.99 105.19 109.95 1x58 n GLY 27 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.14 1x58 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x58 n ASN 28 N -0.91 0.00 -4.55 1.61 0.23 -1.26 -4.35 115.26 106.02 1x58 n ASN 28 Ca 0.00 -0.91 -0.36 0.00 -0.53 0.00 0.00 54.58 52.78 1x58 n ASN 28 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1x58 s HIS 29 N -2.00 1.81 -0.08 -2.53 3.76 -1.26 -4.83 115.29 110.16 1x58 s HIS 29 Ca 0.02 0.57 -0.23 0.00 -0.15 0.00 0.00 55.06 55.27 1x58 s HIS 29 Cb 0.01 -4.17 -0.29 0.00 1.11 0.00 0.00 32.58 29.24 1x58 s HIS 29 CO 0.01 -2.12 0.79 -1.49 -0.85 0.00 0.00 174.74 171.09 1x58 h TRP 30 N 13.22 0.37 -0.87 1.40 -0.00 -1.90 -2.80 115.95 125.38 1x58 h TRP 30 Ca -0.15 -0.27 0.11 0.00 -0.00 0.00 0.00 58.89 58.58 1x58 h TRP 30 Cb 1.10 -0.01 -0.08 0.00 -0.00 0.00 0.00 29.16 30.17 1x58 h TRP 30 CO 1.11 1.27 0.51 -0.91 -0.00 0.00 0.00 178.44 180.42 1x58 h ASN 31 N -0.55 0.72 0.25 -3.49 4.21 -1.88 -0.10 115.58 114.75 1x58 h ASN 31 Ca -0.13 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.43 1x58 h ASN 31 Cb 1.48 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.59 1x58 h ASN 31 CO 0.09 0.38 -0.19 -1.28 -1.29 0.00 0.00 177.43 175.14 1x58 h SER 32 N 0.81 -0.48 -0.53 5.81 0.87 -1.96 -2.55 113.55 115.52 1x58 h SER 32 Ca 0.43 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 61.10 1x58 h SER 32 Cb 0.45 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 1x58 h SER 32 CO -0.27 -0.29 0.22 0.40 -0.53 0.00 0.00 176.83 176.35 1x58 h ILE 33 N -0.45 0.85 0.00 2.23 2.04 -1.11 0.22 117.51 121.30 1x58 h ILE 33 Ca -0.02 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1x58 h ILE 33 Cb 0.39 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1x58 h ILE 33 CO -0.00 0.08 0.00 0.25 0.00 0.00 0.00 178.15 178.47 1x58 h LEU 34 N 0.41 0.00 0.00 1.44 6.46 -0.65 -1.85 115.31 121.13 1x58 h LEU 34 Ca 0.25 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.83 1x58 h LEU 34 Cb 0.25 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1x58 h LEU 34 CO -0.23 0.00 -1.69 0.79 -0.62 0.00 0.00 178.44 176.68 1x58 n TRP 35 N -2.50 0.00 0.26 1.25 8.01 -0.85 -4.64 117.44 118.96 1x58 n TRP 35 Ca -0.02 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.28 1x58 n TRP 35 Cb 0.07 -0.49 0.68 0.00 -2.01 0.00 0.00 31.31 29.56 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 -4.60 -0.99 0.87 0.25 -3.44 113.55 105.64 1x58 h SER 36 Ca -0.27 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.04 1x58 h SER 36 Cb 1.59 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.38 1x58 h SER 36 CO 0.01 0.12 -0.71 -0.36 -0.53 0.00 0.00 176.83 175.36 1x58 s PHE 37 N -4.40 0.87 0.27 2.24 0.08 -0.97 -5.07 117.98 111.00 1x58 s PHE 37 Ca -0.03 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 1x58 s PHE 37 Cb 0.14 -0.50 -0.09 0.00 -0.57 0.00 0.00 43.02 42.00 1x58 s PHE 37 CO 0.61 -0.10 1.19 -1.25 -0.10 0.00 0.00 175.22 175.57 1x58 s PRO 38 N -3.03 4.52 0.19 0.24 0.04 -1.26 -4.76 135.00 130.94 1x58 s PRO 38 Ca 0.05 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.05 1x58 s PRO 38 Cb -0.00 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1x58 s PRO 38 CO -0.02 0.01 0.08 1.19 0.04 0.00 0.00 177.00 178.30 1x58 n PHE 39 N 1.49 -0.01 -1.25 0.56 3.72 -1.26 -4.92 117.46 115.80 1x58 n PHE 39 Ca 0.01 -1.25 -0.29 0.00 -0.05 0.00 0.00 57.45 55.87 1x58 n PHE 39 Cb 0.44 0.02 0.18 0.00 -0.94 0.00 0.00 39.48 39.18 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 -2.72 0.17 0.92 -1.08 -0.21 -1.26 -5.05 119.66 110.43 1x58 s GLN 40 Ca 0.11 0.29 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 1x58 s GLN 40 Cb 0.01 -1.73 0.14 0.00 1.00 0.00 0.00 33.01 32.43 1x58 s GLN 40 CO 0.08 -2.86 1.09 0.21 -2.12 0.00 0.00 175.29 171.69 1x58 s LYS 41 N -5.16 1.08 0.00 2.91 2.47 -1.26 -3.98 119.74 115.80 1x58 s LYS 41 Ca 0.67 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.93 1x58 s LYS 41 Cb -0.15 -1.79 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1x58 s LYS 41 CO 0.56 -2.37 0.00 0.41 0.16 0.00 0.00 175.35 174.11 1x58 n GLY 42 N -0.92 0.30 3.71 5.54 0.00 -1.26 -4.95 105.19 107.61 1x58 n GLY 42 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.56 1.68 0.36 1.61 1.81 -1.26 -5.07 118.95 117.52 1x58 s ARG 43 Ca 0.00 1.55 0.08 0.00 -1.72 0.00 0.00 55.73 55.64 1x58 s ARG 43 Cb 0.00 -1.80 -0.07 0.00 -0.45 0.00 0.00 34.95 32.63 1x58 s ARG 43 CO 0.00 -2.14 -0.05 1.03 -0.68 0.00 0.00 175.30 173.45 1x58 s ARG 44 N -4.43 1.83 0.33 3.54 0.52 -1.26 -5.04 118.95 114.45 1x58 s ARG 44 Ca 0.68 -1.98 0.01 0.00 -0.52 0.00 0.00 55.73 53.93 1x58 s ARG 44 Cb -0.24 -1.60 0.59 0.00 0.52 0.00 0.00 34.95 34.21 1x58 s ARG 44 CO 0.53 0.06 1.99 0.00 0.02 0.00 0.00 175.30 177.90 1x58 h ALA 45 N 1.97 1.52 0.00 2.13 0.00 -1.95 -2.63 119.26 120.30 1x58 h ALA 45 Ca -0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1x58 h ALA 45 Cb 1.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x58 h ALA 45 CO 0.73 0.44 -0.08 -0.39 0.00 0.00 0.00 179.25 179.95 1x58 h VAL 46 N 0.93 0.54 -0.51 0.00 -1.51 -1.96 -1.03 116.25 112.71 1x58 h VAL 46 Ca 0.26 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 65.32 1x58 h VAL 46 Cb -0.07 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1x58 h VAL 46 CO -0.06 0.07 0.06 0.44 -1.23 0.00 0.00 177.57 176.86 1x58 h ASP 47 N 0.00 0.83 -0.53 4.19 3.32 -1.87 0.27 116.42 122.63 1x58 h ASP 47 Ca -0.00 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1x58 h ASP 47 Cb 0.22 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1x58 h ASP 47 CO 0.01 0.90 0.24 -0.07 -1.72 0.00 0.00 179.24 178.60 1x58 h LEU 48 N 0.74 0.74 -0.38 1.55 3.38 -1.29 -0.62 115.31 119.42 1x58 h LEU 48 Ca 0.15 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1x58 h LEU 48 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x58 h LEU 48 CO 0.01 0.66 0.01 0.00 0.09 0.00 0.00 178.44 179.21 1x58 h ALA 49 N 1.45 0.52 0.32 1.53 0.00 -0.98 -2.93 119.26 119.17 1x58 h ALA 49 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x58 h ALA 49 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x58 h ALA 49 CO -0.02 0.29 -0.15 1.25 0.00 0.00 0.00 179.25 180.61 1x58 h HIS 50 N 0.50 -0.40 -0.31 0.00 2.76 0.16 0.06 115.15 117.92 1x58 h HIS 50 Ca 0.11 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1x58 h HIS 50 Cb 0.46 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 1x58 h HIS 50 CO 0.04 -0.05 0.16 -0.22 -1.30 0.00 0.00 177.93 176.55 1x58 h LYS 51 N -0.85 0.32 -0.38 5.26 1.63 -1.27 -1.52 116.57 119.75 1x58 h LYS 51 Ca -0.04 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.80 1x58 h LYS 51 Cb 0.52 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 1x58 h LYS 51 CO 0.07 0.21 0.05 -0.92 -3.45 0.00 0.00 179.45 175.41 1x58 h TYR 52 N 0.32 0.07 -0.56 1.91 3.20 -1.55 0.11 116.97 120.47 1x58 h TYR 52 Ca 0.13 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.13 1x58 h TYR 52 Cb 0.04 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.26 1x58 h TYR 52 CO -0.10 -0.02 0.08 1.25 -1.64 0.00 0.00 178.16 177.74 1x58 h HIS 53 N 0.16 0.12 -0.06 -3.82 2.76 -0.44 0.24 115.15 114.11 1x58 h HIS 53 Ca 0.18 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1x58 h HIS 53 Cb 0.23 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1x58 h HIS 53 CO -0.22 -0.06 -0.34 0.00 -1.30 0.00 0.00 177.93 176.02 1x58 h ARG 54 N 0.21 0.12 -0.25 5.26 2.47 -0.26 -1.70 114.38 120.23 1x58 h ARG 54 Ca 0.29 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.80 1x58 h ARG 54 Cb 0.43 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1x58 h ARG 54 CO -0.40 0.45 -0.50 -0.07 0.56 0.00 0.00 179.97 180.01 1x58 h LEU 55 N 0.11 0.87 -0.33 3.04 3.38 0.11 -3.22 115.31 119.28 1x58 h LEU 55 Ca 0.01 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1x58 h LEU 55 Cb 0.65 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1x58 h LEU 55 CO 0.05 1.25 0.00 0.16 0.09 0.00 0.00 178.44 179.99 1x58 h ILE 56 N 0.53 0.00 -2.41 1.22 3.07 -0.46 -3.32 117.51 116.13 1x58 h ILE 56 Ca 0.01 -0.52 -0.69 0.00 1.55 0.00 0.00 64.86 65.22 1x58 h ILE 56 Cb 1.11 1.45 -0.36 0.00 -0.27 0.00 0.00 36.82 38.75 1x58 h ILE 56 CO 0.11 0.00 0.01 -1.20 -1.05 0.00 0.00 178.15 176.02 1x58 n SER 57 N -2.50 5.19 -3.34 2.16 7.64 -0.65 -5.00 113.62 117.11 1x58 n SER 57 Ca 0.04 -3.53 -0.29 0.00 1.01 0.00 0.00 58.87 56.10 1x58 n SER 57 Cb 0.39 -0.88 0.26 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.59 -3.42 0.11 0.23 0.00 -1.25 -4.84 105.19 96.61 1x58 n GLY 58 Ca 0.32 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1x58 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 h PRO 59 N 0.00 0.20 -6.49 1.61 0.13 -1.96 -3.33 132.00 122.15 1x58 h PRO 59 Ca -0.38 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.17 1x58 h PRO 59 Cb 1.23 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1x58 h PRO 59 CO 0.24 0.13 1.05 -1.54 -0.23 0.00 0.00 178.00 177.65 1x58 s SER 60 N -5.33 6.41 -0.41 1.44 1.04 -1.26 -4.97 113.70 110.62 1x58 s SER 60 Ca -0.13 0.91 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1x58 s SER 60 Cb 0.09 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.81 1x58 s SER 60 CO 0.69 -1.36 0.25 -0.94 0.98 0.00 0.00 173.24 172.87 1x58 s SER 61 N 3.68 3.06 0.00 7.02 1.04 -1.25 -4.96 113.70 122.29 1x58 s SER 61 Ca 0.60 -2.55 0.00 0.00 0.48 0.00 0.00 55.95 54.48 1x58 s SER 61 Cb -0.14 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.29 1x58 s SER 61 CO 0.31 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.87