#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 -7.61 0.00 1.61 7.64 -1.26 -4.78 113.62 109.22 1x58 n SER 2 Ca 0.00 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1x58 n SER 2 Cb 0.00 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 1x58 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x58 n SER 3 N 0.24 -1.35 -0.20 6.43 2.88 -1.26 -5.01 113.62 115.35 1x58 n SER 3 Ca 0.04 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1x58 n SER 3 Cb 0.31 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x58 n GLY 4 N 0.00 -2.17 0.00 0.46 0.00 -1.26 -5.11 105.19 97.10 1x58 n GLY 4 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.17 0.00 -4.58 1.61 2.88 -1.26 -5.03 113.62 106.07 1x58 n SER 5 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1x58 n SER 5 Cb 0.08 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1x58 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x58 s SER 6 N 0.00 6.31 0.01 -3.46 0.01 -1.26 -4.93 113.70 110.39 1x58 s SER 6 Ca 0.00 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 1x58 s SER 6 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1x58 s SER 6 CO 0.00 -1.56 1.25 -0.83 0.41 0.00 0.00 173.24 172.51 1x58 s GLY 7 N 3.65 -0.11 0.00 3.44 0.00 -1.26 -5.06 107.32 107.97 1x58 s GLY 7 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1x58 s GLY 7 CO 0.26 4.74 0.00 -2.13 0.00 0.00 0.00 173.10 175.97 1x58 n ARG 8 N -0.84 0.00 -0.37 2.90 0.63 -1.26 -4.92 116.66 112.80 1x58 n ARG 8 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1x58 n ARG 8 Cb 0.59 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 33.11 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 -2.77 0.00 -1.04 -0.14 4.76 -1.26 -5.01 118.16 112.70 1x58 n LYS 9 Ca 0.00 -0.79 -0.16 0.00 -2.87 0.00 0.00 58.31 54.49 1x58 n LYS 9 Cb 0.34 -0.45 -0.15 0.00 -1.84 0.00 0.00 35.03 32.93 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1x58 n ASP 10 N 0.00 5.73 -0.05 4.39 9.92 -1.26 -4.32 116.55 130.96 1x58 n ASP 10 Ca 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 1x58 n ASP 10 Cb 0.63 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1x58 n PHE 11 N 2.68 0.00 -0.68 1.24 3.01 -1.26 -5.06 117.46 117.38 1x58 n PHE 11 Ca 0.48 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.65 1x58 n PHE 11 Cb 0.80 -0.26 0.22 0.00 -0.01 0.00 0.00 39.48 40.23 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 -0.05 2.10 0.53 4.37 -4.23 -1.26 -4.81 115.64 112.29 1x58 s THR 12 Ca 0.00 0.03 0.27 0.00 -1.18 0.00 0.00 61.69 60.82 1x58 s THR 12 Cb 0.00 -2.15 0.32 0.00 1.34 0.00 0.00 72.50 72.01 1x58 s THR 12 CO 0.00 -0.04 2.18 0.50 -0.54 0.00 0.00 174.62 176.72 1x58 h LYS 13 N -2.32 0.00 -0.06 3.99 3.64 -1.98 -1.58 116.57 118.26 1x58 h LYS 13 Ca -0.56 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1x58 h LYS 13 Cb 1.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1x58 h LYS 13 CO 0.49 0.05 0.03 0.93 -2.27 0.00 0.00 179.45 178.68 1x58 h GLU 14 N 0.00 0.08 -0.15 1.90 4.39 -1.99 -0.82 114.58 117.99 1x58 h GLU 14 Ca -0.00 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 1x58 h GLU 14 Cb 0.12 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1x58 h GLU 14 CO 0.01 0.17 -0.66 0.93 -1.16 0.00 0.00 179.01 178.29 1x58 h GLU 15 N -0.03 0.59 -0.13 2.33 5.08 -1.74 -0.72 114.58 119.96 1x58 h GLU 15 Ca 0.02 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1x58 h GLU 15 Cb 0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x58 h GLU 15 CO -0.00 1.05 -0.21 0.28 -1.00 0.00 0.00 179.01 179.13 1x58 h VAL 16 N 0.43 1.22 0.87 3.13 2.07 -1.28 0.15 116.25 122.83 1x58 h VAL 16 Ca -0.02 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1x58 h VAL 16 Cb 1.24 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1x58 h VAL 16 CO 0.13 0.30 -0.45 0.78 0.02 0.00 0.00 177.57 178.35 1x58 h ASN 17 N 0.21 -1.08 -0.45 0.57 2.35 -0.54 -3.03 115.58 113.60 1x58 h ASN 17 Ca 0.04 0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.92 1x58 h ASN 17 Cb 0.50 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1x58 h ASN 17 CO 0.03 -0.74 0.31 1.88 -1.65 0.00 0.00 177.43 177.26 1x58 h TYR 18 N -1.20 0.25 0.51 1.19 0.05 -0.83 -0.89 116.97 116.05 1x58 h TYR 18 Ca -0.12 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1x58 h TYR 18 Cb 0.94 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1x58 h TYR 18 CO -0.04 0.13 -0.35 1.25 -1.05 0.00 0.00 178.16 178.10 1x58 h LEU 19 N 0.24 -0.91 -1.00 3.88 7.12 -0.59 0.83 115.31 124.89 1x58 h LEU 19 Ca 0.21 0.06 -0.10 0.00 0.13 0.00 0.00 57.88 58.17 1x58 h LEU 19 Cb 0.50 0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1x58 h LEU 19 CO -0.04 -0.52 -0.42 -0.26 -0.13 0.00 0.00 178.44 177.07 1x58 h PHE 20 N -0.82 0.19 -0.09 1.25 0.04 -1.38 -0.86 116.94 115.26 1x58 h PHE 20 Ca -0.07 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.66 1x58 h PHE 20 Cb 0.67 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1x58 h PHE 20 CO -0.08 0.56 0.03 0.45 -0.60 0.00 0.00 178.31 178.67 1x58 h HIS 21 N 0.14 0.06 0.45 -0.55 3.86 -1.02 -1.00 115.15 117.08 1x58 h HIS 21 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1x58 h HIS 21 Cb 0.80 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1x58 h HIS 21 CO 0.01 0.03 -0.34 0.78 0.86 0.00 0.00 177.93 179.27 1x58 h GLY 22 N 0.08 -1.05 1.40 2.45 0.00 -0.58 -2.65 103.07 102.71 1x58 h GLY 22 Ca 0.04 0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.87 1x58 h GLY 22 CO -0.04 -0.34 0.26 -2.08 0.00 0.00 0.00 176.54 174.34 1x58 h VAL 23 N -0.76 0.26 0.17 4.60 2.07 -1.12 0.53 116.25 122.00 1x58 h VAL 23 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1x58 h VAL 23 Cb 0.63 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1x58 h VAL 23 CO 0.02 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.03 1x58 h LYS 24 N 0.00 -0.22 -0.00 1.57 3.11 -0.90 -2.42 116.57 117.72 1x58 h LYS 24 Ca 0.07 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1x58 h LYS 24 Cb 0.59 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1x58 h LYS 24 CO -0.00 0.21 -0.06 -2.37 -2.81 0.00 0.00 179.45 174.42 1x58 n THR 25 N -4.95 0.00 0.00 1.00 5.66 -0.32 -4.67 114.28 110.99 1x58 n THR 25 Ca -0.08 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1x58 n THR 25 Cb 0.27 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.40 0.00 0.00 1.09 2.81 0.03 -5.09 117.12 114.56 1x58 n MET 26 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1x58 n MET 26 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 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 2.79 -0.03 0.42 3.03 0.00 -0.91 -4.96 105.19 105.53 1x58 n GLY 27 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.43 -4.55 1.61 3.02 -1.26 -4.35 115.26 112.16 1x58 n ASN 28 Ca 0.00 -1.86 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 1x58 n ASN 28 Cb 0.00 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.93 1.69 0.05 3.10 3.76 -1.26 -4.86 115.29 116.84 1x58 s HIS 29 Ca 0.15 0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 55.64 1x58 s HIS 29 Cb 0.08 -4.09 -0.21 0.00 1.11 0.00 0.00 32.58 29.47 1x58 s HIS 29 CO 0.11 -2.23 1.18 -1.49 -0.85 0.00 0.00 174.74 171.46 1x58 h TRP 30 N 14.42 0.81 -0.84 1.40 4.06 -1.89 -3.09 115.95 130.81 1x58 h TRP 30 Ca -0.21 -0.41 0.13 0.00 2.06 0.00 0.00 58.89 60.46 1x58 h TRP 30 Cb 1.14 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 29.13 1x58 h TRP 30 CO 1.07 1.22 0.55 -2.95 -3.56 0.00 0.00 178.44 174.77 1x58 h ASN 31 N 0.17 0.63 0.48 -3.49 7.08 -1.89 -1.00 115.58 117.55 1x58 h ASN 31 Ca -0.08 0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 53.15 1x58 h ASN 31 Cb 1.38 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 37.53 1x58 h ASN 31 CO 0.14 0.34 -0.23 0.28 -2.08 0.00 0.00 177.43 175.88 1x58 h SER 32 N 0.68 -0.54 -0.49 6.14 0.02 -1.95 -2.81 113.55 114.59 1x58 h SER 32 Ca 0.41 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.42 1x58 h SER 32 Cb 0.63 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 1x58 h SER 32 CO -0.17 -0.32 0.06 0.40 -1.14 0.00 0.00 176.83 175.66 1x58 h ILE 33 N -0.73 0.69 -0.40 3.27 2.04 -1.39 0.13 117.51 121.12 1x58 h ILE 33 Ca -0.07 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1x58 h ILE 33 Cb 0.53 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1x58 h ILE 33 CO 0.11 0.03 0.28 0.25 0.00 0.00 0.00 178.15 178.82 1x58 h LEU 34 N 0.19 0.14 0.13 1.44 6.46 -1.11 -0.63 115.31 121.93 1x58 h LEU 34 Ca 0.24 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.72 1x58 h LEU 34 Cb 0.34 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1x58 h LEU 34 CO -0.35 0.09 -1.44 -0.50 -0.62 0.00 0.00 178.44 175.62 1x58 h TRP 35 N 0.16 0.52 -0.69 1.25 6.55 -1.11 -3.42 115.95 119.21 1x58 h TRP 35 Ca 0.18 -0.38 0.07 0.00 0.95 0.00 0.00 58.89 59.72 1x58 h TRP 35 Cb 0.53 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.77 1x58 h TRP 35 CO -0.00 1.56 0.46 1.03 -1.05 0.00 0.00 178.44 180.44 1x58 h SER 36 N -0.22 0.59 -3.53 -3.49 0.87 0.81 -3.43 113.55 105.15 1x58 h SER 36 Ca -0.30 0.01 -0.44 0.00 -1.23 0.00 0.00 61.79 59.82 1x58 h SER 36 Cb 1.83 -0.12 -0.16 0.00 -0.44 0.00 0.00 62.40 63.51 1x58 h SER 36 CO 0.09 0.37 -0.75 -0.36 -0.53 0.00 0.00 176.83 175.66 1x58 s PHE 37 N -5.60 1.62 -0.51 2.24 0.40 -0.96 -5.07 117.98 110.09 1x58 s PHE 37 Ca -0.09 -0.57 -0.28 0.00 -0.60 0.00 0.00 56.93 55.39 1x58 s PHE 37 Cb 0.19 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.97 1x58 s PHE 37 CO 0.77 0.28 1.14 -1.25 0.70 0.00 0.00 175.22 176.85 1x58 s PRO 38 N -3.28 3.63 0.36 0.24 0.04 -1.26 -4.80 135.00 129.94 1x58 s PRO 38 Ca 0.18 0.42 0.07 0.00 0.04 0.00 0.00 61.00 61.71 1x58 s PRO 38 Cb -0.02 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 1x58 s PRO 38 CO 0.05 -1.48 0.38 -0.06 0.04 0.00 0.00 177.00 175.94 1x58 s PHE 39 N 4.57 2.91 1.00 0.56 0.08 -1.26 -4.84 117.98 121.00 1x58 s PHE 39 Ca 0.45 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 57.03 1x58 s PHE 39 Cb -0.07 -1.99 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1x58 s PHE 39 CO 0.29 0.01 0.28 1.04 -0.10 0.00 0.00 175.22 176.74 1x58 n GLN 40 N -1.53 -0.66 -1.98 0.44 6.02 -1.26 -5.01 117.38 113.41 1x58 n GLN 40 Ca 0.01 -0.16 -0.30 0.00 -0.01 0.00 0.00 57.00 56.54 1x58 n GLN 40 Cb 0.60 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 30.07 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 -3.56 3.54 0.00 -1.09 3.01 -1.26 -3.91 119.74 116.47 1x58 s LYS 41 Ca 0.56 0.65 0.00 0.00 -1.01 0.00 0.00 55.97 56.18 1x58 s LYS 41 Cb -0.18 -2.12 0.00 0.00 -1.01 0.00 0.00 37.83 34.52 1x58 s LYS 41 CO 0.67 -0.55 0.00 0.41 0.51 0.00 0.00 175.35 176.39 1x58 n GLY 42 N -2.70 0.10 3.77 -3.33 0.00 -1.26 -4.98 105.19 96.79 1x58 n GLY 42 Ca 0.05 0.00 -0.31 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 -1.48 2.20 0.32 1.61 1.81 -1.25 -5.08 118.95 117.07 1x58 s ARG 43 Ca 0.00 1.02 0.10 0.00 -1.72 0.00 0.00 55.73 55.13 1x58 s ARG 43 Cb 0.00 -1.90 -0.06 0.00 -0.45 0.00 0.00 34.95 32.54 1x58 s ARG 43 CO 0.00 -1.64 -0.09 1.03 -0.68 0.00 0.00 175.30 173.91 1x58 s ARG 44 N -4.96 1.88 0.37 3.54 0.52 -1.26 -5.03 118.95 114.02 1x58 s ARG 44 Ca 0.61 -1.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.11 1x58 s ARG 44 Cb -0.16 -1.82 0.83 0.00 0.52 0.00 0.00 34.95 34.32 1x58 s ARG 44 CO 0.56 0.22 1.92 0.00 0.02 0.00 0.00 175.30 178.02 1x58 h ALA 45 N 2.03 1.83 0.00 2.13 0.00 -1.95 -2.38 119.26 120.92 1x58 h ALA 45 Ca -0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1x58 h ALA 45 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x58 h ALA 45 CO 0.65 -0.01 -0.12 -0.39 0.00 0.00 0.00 179.25 179.39 1x58 h VAL 46 N 0.66 0.47 -0.56 0.00 -1.51 -1.95 -2.50 116.25 110.85 1x58 h VAL 46 Ca 0.37 -0.63 0.09 0.00 -1.23 0.00 0.00 66.70 65.30 1x58 h VAL 46 Cb 0.53 1.43 -0.07 0.00 -2.13 0.00 0.00 31.29 31.06 1x58 h VAL 46 CO -0.14 0.12 0.17 0.44 -1.23 0.00 0.00 177.57 176.93 1x58 h ASP 47 N 0.00 0.12 -0.33 4.19 5.19 -1.83 0.14 116.42 123.89 1x58 h ASP 47 Ca -0.00 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1x58 h ASP 47 Cb 0.42 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1x58 h ASP 47 CO 0.02 0.08 0.02 -0.07 -3.12 0.00 0.00 179.24 176.17 1x58 h LEU 48 N 0.33 0.56 -0.04 1.55 3.38 -1.60 -0.73 115.31 118.75 1x58 h LEU 48 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x58 h LEU 48 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1x58 h LEU 48 CO -0.32 0.71 0.02 0.00 0.09 0.00 0.00 178.44 178.94 1x58 h ALA 49 N 0.87 0.05 0.43 1.53 0.00 -1.38 -0.79 119.26 119.96 1x58 h ALA 49 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1x58 h ALA 49 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x58 h ALA 49 CO 0.01 -0.40 -0.43 0.45 0.00 0.00 0.00 179.25 178.89 1x58 h HIS 50 N -0.05 -1.18 -0.08 0.00 3.86 -0.70 -0.99 115.15 116.01 1x58 h HIS 50 Ca 0.01 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1x58 h HIS 50 Cb 0.10 0.46 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1x58 h HIS 50 CO -0.04 -0.57 -0.27 -0.22 0.86 0.00 0.00 177.93 177.69 1x58 h LYS 51 N -0.85 -0.35 -0.31 2.45 1.63 -0.98 -1.43 116.57 116.73 1x58 h LYS 51 Ca -0.05 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.84 1x58 h LYS 51 Cb 0.74 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.38 1x58 h LYS 51 CO -0.05 -0.24 -0.16 -0.92 -3.45 0.00 0.00 179.45 174.64 1x58 h TYR 52 N -0.37 -0.39 -0.23 1.91 3.20 -1.15 0.20 116.97 120.15 1x58 h TYR 52 Ca 0.09 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1x58 h TYR 52 Cb 0.49 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 1x58 h TYR 52 CO -0.34 -0.23 0.03 1.25 -1.64 0.00 0.00 178.16 177.22 1x58 h HIS 53 N -0.11 0.04 -0.71 -3.82 2.76 -0.63 0.92 115.15 113.60 1x58 h HIS 53 Ca 0.16 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1x58 h HIS 53 Cb 0.36 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 1x58 h HIS 53 CO -0.36 -0.00 0.44 0.00 -1.30 0.00 0.00 177.93 176.71 1x58 h ARG 54 N 0.11 0.82 0.31 5.26 2.47 -0.69 -0.38 114.38 122.28 1x58 h ARG 54 Ca 0.11 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1x58 h ARG 54 Cb 0.12 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1x58 h ARG 54 CO -0.16 0.54 -0.15 -0.07 0.56 0.00 0.00 179.97 180.70 1x58 h LEU 55 N 0.84 -0.35 -2.15 3.04 3.38 0.38 -2.25 115.31 118.20 1x58 h LEU 55 Ca 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1x58 h LEU 55 Cb 0.07 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x58 h LEU 55 CO -0.13 -0.15 -0.06 0.16 0.09 0.00 0.00 178.44 178.34 1x58 h ILE 56 N -0.54 0.63 -5.46 1.22 3.07 -0.74 -3.47 117.51 112.23 1x58 h ILE 56 Ca -0.04 -0.26 -0.42 0.00 1.55 0.00 0.00 64.86 65.68 1x58 h ILE 56 Cb 0.40 1.16 0.01 0.00 -0.27 0.00 0.00 36.82 38.13 1x58 h ILE 56 CO 0.07 0.06 -0.65 -1.20 -1.05 0.00 0.00 178.15 175.38 1x58 n SER 57 N -3.86 -5.27 -4.90 2.16 7.64 -0.16 -4.96 113.62 104.25 1x58 n SER 57 Ca -0.02 -0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.07 1x58 n SER 57 Cb 0.16 -4.24 0.09 0.00 -1.01 0.00 0.00 64.21 59.20 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 -2.98 1.61 -0.15 0.23 0.00 -1.25 -5.02 107.32 99.75 1x58 s GLY 58 Ca 0.48 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 1x58 s GLY 58 CO 0.59 -0.21 1.26 2.56 0.00 0.00 0.00 173.10 177.30 1x58 s PRO 59 N -5.52 4.25 0.30 2.90 0.04 -1.26 -5.01 135.00 130.70 1x58 s PRO 59 Ca 0.62 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 1x58 s PRO 59 Cb -0.11 -3.74 0.01 0.00 0.04 0.00 0.00 34.50 30.71 1x58 s PRO 59 CO 0.48 -0.67 0.58 -1.12 0.04 0.00 0.00 177.00 176.31 1x58 s SER 60 N 1.92 0.08 0.00 6.66 0.01 -1.26 -5.00 113.70 116.11 1x58 s SER 60 Ca 0.55 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1x58 s SER 60 Cb -0.22 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1x58 s SER 60 CO 0.16 -1.31 0.00 -0.24 0.41 0.00 0.00 173.24 172.26 1x58 n SER 61 N -0.77 0.00 0.00 2.44 2.88 -1.26 -5.27 113.62 111.64 1x58 n SER 61 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1x58 n SER 61 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42