#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 0.13 0.24 1.61 1.04 -1.26 -5.14 113.70 110.32 1x58 s SER 2 Ca 0.00 -1.15 -0.30 0.00 0.48 0.00 0.00 55.95 54.98 1x58 s SER 2 Cb 0.00 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 1x58 s SER 2 CO 0.00 -0.87 1.29 -0.94 0.98 0.00 0.00 173.24 173.70 1x58 s SER 3 N -3.06 6.90 -0.42 7.02 1.04 -1.26 -5.00 113.70 118.91 1x58 s SER 3 Ca 0.27 2.47 0.02 0.00 0.48 0.00 0.00 55.95 59.19 1x58 s SER 3 Cb 0.05 -2.62 0.14 0.00 0.10 0.00 0.00 66.02 63.69 1x58 s SER 3 CO 0.06 -0.50 0.26 -0.83 0.98 0.00 0.00 173.24 173.21 1x58 s GLY 4 N 0.01 1.40 0.00 7.32 0.00 -1.26 -4.93 107.32 109.86 1x58 s GLY 4 Ca 0.54 -2.39 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1x58 s GLY 4 CO 0.42 1.78 0.00 1.44 0.00 0.00 0.00 173.10 176.74 1x58 n SER 5 N 3.54 0.00 0.00 1.64 7.64 -1.26 -4.84 113.62 120.34 1x58 n SER 5 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x58 n SER 5 Cb 0.37 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1x58 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x58 n SER 6 N 0.00 0.00 -3.40 6.43 7.64 -1.26 -5.05 113.62 117.98 1x58 n SER 6 Ca 0.00 0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.89 1x58 n SER 6 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1x58 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x58 s GLY 7 N -0.19 0.93 0.00 0.23 0.00 -1.26 -5.08 107.32 101.95 1x58 s GLY 7 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1x58 s GLY 7 CO 0.00 -0.72 0.00 -2.13 0.00 0.00 0.00 173.10 170.25 1x58 n ARG 8 N -0.50 3.71 -4.76 2.90 0.63 -1.26 -4.89 116.66 112.48 1x58 n ARG 8 Ca -0.02 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.65 1x58 n ARG 8 Cb 0.61 -0.48 -0.14 0.00 0.45 0.00 0.00 32.46 32.90 1x58 n ARG 8 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1x58 s LYS 9 N -0.84 1.51 -0.37 -0.14 -2.85 -1.26 -5.00 119.74 110.79 1x58 s LYS 9 Ca 0.00 -0.92 0.13 0.00 -1.00 0.00 0.00 55.97 54.18 1x58 s LYS 9 Cb 0.00 -1.59 0.42 0.00 -2.06 0.00 0.00 37.83 34.60 1x58 s LYS 9 CO 0.00 0.41 1.21 -3.47 0.10 0.00 0.00 175.35 173.61 1x58 n ASP 10 N 2.00 -0.60 -3.53 0.03 2.03 -1.26 -5.07 116.55 110.14 1x58 n ASP 10 Ca -0.17 -2.53 -0.25 0.00 0.52 0.00 0.00 54.79 52.36 1x58 n ASP 10 Cb 0.53 0.41 -0.14 0.00 -0.72 0.00 0.00 41.12 41.20 1x58 n ASP 10 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1x58 s PHE 11 N -1.09 0.09 0.79 -0.67 5.36 -1.26 -5.15 117.98 116.04 1x58 s PHE 11 Ca 0.24 -0.47 -0.10 0.00 -0.96 0.00 0.00 56.93 55.63 1x58 s PHE 11 Cb 0.42 -0.71 0.07 0.00 -0.34 0.00 0.00 43.02 42.46 1x58 s PHE 11 CO -0.04 -0.73 1.10 -0.08 -1.46 0.00 0.00 175.22 174.01 1x58 s THR 12 N 2.18 3.19 0.49 0.12 -1.32 -1.26 -4.76 115.64 114.27 1x58 s THR 12 Ca 0.07 0.39 0.15 0.00 -1.21 0.00 0.00 61.69 61.09 1x58 s THR 12 Cb -0.16 -2.82 0.30 0.00 -1.51 0.00 0.00 72.50 68.31 1x58 s THR 12 CO -0.26 -0.50 2.08 0.50 -2.21 0.00 0.00 174.62 174.23 1x58 h LYS 13 N -1.22 0.18 0.06 7.08 3.11 -2.01 -1.39 116.57 122.39 1x58 h LYS 13 Ca -0.44 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1x58 h LYS 13 Cb 1.24 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1x58 h LYS 13 CO 0.50 0.12 -0.03 0.93 -2.81 0.00 0.00 179.45 178.16 1x58 h GLU 14 N 0.18 -0.08 -0.34 1.90 3.07 -2.00 -2.72 114.58 114.60 1x58 h GLU 14 Ca 0.12 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1x58 h GLU 14 Cb 0.24 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1x58 h GLU 14 CO -0.02 0.33 0.17 0.93 -1.40 0.00 0.00 179.01 179.03 1x58 h GLU 15 N -0.52 0.46 -0.16 2.33 4.39 -1.63 0.10 114.58 119.55 1x58 h GLU 15 Ca -0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1x58 h GLU 15 Cb 0.45 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1x58 h GLU 15 CO 0.01 0.35 -0.27 0.28 -1.16 0.00 0.00 179.01 178.22 1x58 h VAL 16 N 0.47 1.26 0.20 3.13 2.07 -1.36 0.48 116.25 122.49 1x58 h VAL 16 Ca 0.12 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1x58 h VAL 16 Cb 0.04 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1x58 h VAL 16 CO -0.02 0.37 -0.09 -1.13 0.02 0.00 0.00 177.57 176.72 1x58 h ASN 17 N 0.27 -0.22 -0.54 0.57 -1.24 -0.67 -0.55 115.58 113.20 1x58 h ASN 17 Ca 0.04 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 1x58 h ASN 17 Cb 0.63 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 1x58 h ASN 17 CO 0.05 -0.07 0.23 1.88 -1.29 0.00 0.00 177.43 178.23 1x58 h TYR 18 N -0.36 0.85 0.34 0.67 0.05 -1.28 -1.17 116.97 116.08 1x58 h TYR 18 Ca -0.03 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1x58 h TYR 18 Cb 0.28 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1x58 h TYR 18 CO -0.04 0.66 -0.25 1.25 -1.05 0.00 0.00 178.16 178.73 1x58 h LEU 19 N 0.84 -0.65 -0.74 3.88 7.12 -0.49 0.17 115.31 125.43 1x58 h LEU 19 Ca 0.20 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.21 1x58 h LEU 19 Cb 0.17 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 1x58 h LEU 19 CO -0.02 -0.39 0.29 -0.26 -0.13 0.00 0.00 178.44 177.94 1x58 h PHE 20 N -0.59 1.12 0.47 1.25 0.04 -0.94 -1.08 116.94 117.21 1x58 h PHE 20 Ca -0.03 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1x58 h PHE 20 Cb 0.51 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1x58 h PHE 20 CO -0.13 0.86 -0.39 0.45 -0.60 0.00 0.00 178.31 178.50 1x58 h HIS 21 N 1.06 -1.06 -0.17 -0.55 3.86 -0.98 -0.80 115.15 116.51 1x58 h HIS 21 Ca 0.24 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.51 1x58 h HIS 21 Cb 0.22 0.40 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 1x58 h HIS 21 CO 0.02 -0.56 -0.34 0.78 0.86 0.00 0.00 177.93 178.69 1x58 h GLY 22 N -0.86 -0.45 2.00 2.45 0.00 -0.51 -1.28 103.07 104.41 1x58 h GLY 22 Ca -0.05 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1x58 h GLY 22 CO -0.02 -0.22 -0.14 -2.08 0.00 0.00 0.00 176.54 174.09 1x58 h VAL 23 N -0.39 0.52 -0.02 4.60 2.07 -1.15 0.11 116.25 121.99 1x58 h VAL 23 Ca 0.10 -0.65 -0.19 0.00 0.82 0.00 0.00 66.70 66.78 1x58 h VAL 23 Cb 0.56 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1x58 h VAL 23 CO -0.39 0.13 -0.83 0.50 0.02 0.00 0.00 177.57 177.00 1x58 h LYS 24 N 0.00 0.28 0.03 1.57 3.11 -0.04 -1.69 116.57 119.82 1x58 h LYS 24 Ca -0.00 -0.27 -0.27 0.00 -2.81 0.00 0.00 60.65 57.29 1x58 h LYS 24 Cb 0.43 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1x58 h LYS 24 CO 0.02 0.96 -1.49 -2.37 -2.81 0.00 0.00 179.45 173.76 1x58 n THR 25 N -3.73 1.59 -0.02 1.00 5.66 -0.69 -4.68 114.28 113.41 1x58 n THR 25 Ca -0.04 -0.18 -0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1x58 n THR 25 Cb 0.77 -1.97 -0.00 0.00 -1.55 0.00 0.00 70.33 67.59 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 -0.77 0.00 0.00 1.09 2.86 -0.96 -3.52 114.93 113.64 1x58 h MET 26 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1x58 h MET 26 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1x58 h MET 26 CO -0.16 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.22 1x58 n GLY 27 N 1.90 0.37 0.31 8.32 0.00 -0.63 -4.84 105.19 110.61 1x58 n GLY 27 Ca -0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.38 -4.55 1.61 4.13 -1.26 -4.32 115.26 111.24 1x58 n ASN 28 Ca 0.00 -1.24 -0.40 0.00 1.68 0.00 0.00 54.58 54.62 1x58 n ASN 28 Cb 0.00 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.02 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1x58 s HIS 29 N -1.39 2.24 -0.13 3.10 3.76 -1.26 -4.85 115.29 116.77 1x58 s HIS 29 Ca 0.00 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.57 1x58 s HIS 29 Cb 0.00 -4.56 -0.22 0.00 1.11 0.00 0.00 32.58 28.90 1x58 s HIS 29 CO 0.00 -2.07 0.71 -1.49 -0.85 0.00 0.00 174.74 171.04 1x58 h TRP 30 N 10.58 -0.01 -0.54 1.40 4.06 -1.91 -2.93 115.95 126.60 1x58 h TRP 30 Ca -0.17 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.83 1x58 h TRP 30 Cb 1.05 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.17 1x58 h TRP 30 CO 1.15 0.82 0.27 -0.91 -3.56 0.00 0.00 178.44 176.22 1x58 h ASN 31 N -0.97 0.38 0.10 -3.49 4.21 -1.88 -1.91 115.58 112.01 1x58 h ASN 31 Ca -0.00 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.55 1x58 h ASN 31 Cb 0.83 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1x58 h ASN 31 CO 0.00 0.26 -0.12 0.28 -1.29 0.00 0.00 177.43 176.56 1x58 h SER 32 N 0.52 -0.31 -0.65 5.81 0.02 -1.98 -2.60 113.55 114.36 1x58 h SER 32 Ca 0.24 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.30 1x58 h SER 32 Cb 0.17 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1x58 h SER 32 CO -0.18 -0.18 0.34 0.40 -1.14 0.00 0.00 176.83 176.07 1x58 h ILE 33 N -0.25 0.92 -0.90 3.27 2.04 -1.29 0.29 117.51 121.60 1x58 h ILE 33 Ca 0.01 -0.21 0.26 0.00 1.00 0.00 0.00 64.86 65.92 1x58 h ILE 33 Cb 0.25 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1x58 h ILE 33 CO -0.05 0.11 0.64 0.25 0.00 0.00 0.00 178.15 179.11 1x58 h LEU 34 N 0.62 0.03 0.00 1.44 6.46 -0.96 -2.07 115.31 120.82 1x58 h LEU 34 Ca 0.30 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.75 1x58 h LEU 34 Cb 0.23 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.10 1x58 h LEU 34 CO -0.21 0.01 -2.19 0.79 -0.62 0.00 0.00 178.44 176.22 1x58 n TRP 35 N -4.29 0.00 0.28 1.25 8.01 -0.65 -4.48 117.44 117.57 1x58 n TRP 35 Ca 0.19 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.52 1x58 n TRP 35 Cb 0.95 -0.83 0.82 0.00 -2.01 0.00 0.00 31.31 30.24 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 -3.65 -0.99 0.87 0.19 -3.42 113.55 106.55 1x58 h SER 36 Ca -0.47 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.51 1x58 h SER 36 Cb 1.89 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 63.65 1x58 h SER 36 CO -0.03 0.07 -0.81 -0.36 -0.53 0.00 0.00 176.83 175.17 1x58 s PHE 37 N -4.27 1.99 -0.49 2.24 0.40 -0.87 -5.05 117.98 111.94 1x58 s PHE 37 Ca -0.03 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.59 1x58 s PHE 37 Cb 0.13 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.67 1x58 s PHE 37 CO 0.56 0.35 1.18 -1.25 0.70 0.00 0.00 175.22 176.75 1x58 s PRO 38 N -2.47 3.67 0.19 0.24 0.04 -1.26 -4.79 135.00 130.62 1x58 s PRO 38 Ca 0.15 0.55 0.06 0.00 0.04 0.00 0.00 61.00 61.79 1x58 s PRO 38 Cb -0.08 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 1x58 s PRO 38 CO 0.07 -1.46 0.14 -0.06 0.04 0.00 0.00 177.00 175.73 1x58 s PHE 39 N 4.67 3.10 0.78 0.56 0.08 -1.26 -5.01 117.98 120.90 1x58 s PHE 39 Ca 0.49 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 57.34 1x58 s PHE 39 Cb -0.08 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1x58 s PHE 39 CO 0.31 0.52 1.17 1.04 -0.10 0.00 0.00 175.22 178.16 1x58 n GLN 40 N -0.56 0.34 -1.26 0.44 6.02 -1.26 -5.01 117.38 116.09 1x58 n GLN 40 Ca -0.08 0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 1x58 n GLN 40 Cb 0.56 -2.41 0.15 0.00 1.02 0.00 0.00 30.24 29.56 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 -3.90 0.90 0.00 -1.09 3.01 -1.26 -3.63 119.74 113.77 1x58 s LYS 41 Ca 0.74 0.58 0.00 0.00 -1.01 0.00 0.00 55.97 56.28 1x58 s LYS 41 Cb -0.31 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 1x58 s LYS 41 CO 0.50 -2.43 0.00 0.41 0.51 0.00 0.00 175.35 174.34 1x58 n GLY 42 N -1.34 1.95 3.64 -3.33 0.00 -1.26 -5.01 105.19 99.85 1x58 n GLY 42 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 0.54 0.14 1.61 3.00 -1.24 -5.10 118.95 117.85 1x58 s ARG 43 Ca 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 55.73 56.65 1x58 s ARG 43 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 34.95 33.20 1x58 s ARG 43 CO 0.00 -2.77 0.11 1.03 0.00 0.00 0.00 175.30 173.67 1x58 s ARG 44 N -4.75 1.00 0.47 3.54 0.52 -1.26 -5.02 118.95 113.44 1x58 s ARG 44 Ca 0.66 -1.40 0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1x58 s ARG 44 Cb -0.21 0.27 1.12 0.00 0.52 0.00 0.00 34.95 36.65 1x58 s ARG 44 CO 0.59 -0.30 2.05 0.00 0.02 0.00 0.00 175.30 177.65 1x58 h ALA 45 N 2.78 2.03 0.00 2.13 0.00 -1.95 -2.43 119.26 121.82 1x58 h ALA 45 Ca -0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1x58 h ALA 45 Cb 1.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x58 h ALA 45 CO 0.56 -0.10 -0.00 -0.39 0.00 0.00 0.00 179.25 179.32 1x58 h VAL 46 N 0.26 0.00 0.19 0.00 -1.51 -1.96 -2.64 116.25 110.59 1x58 h VAL 46 Ca 0.17 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1x58 h VAL 46 Cb 0.35 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 1x58 h VAL 46 CO -0.03 0.00 -0.19 0.44 -1.23 0.00 0.00 177.57 176.56 1x58 h ASP 47 N 0.00 -0.51 -0.04 4.19 3.32 -1.83 -1.59 116.42 119.96 1x58 h ASP 47 Ca -0.00 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1x58 h ASP 47 Cb 0.78 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 1x58 h ASP 47 CO 0.00 -0.28 -0.27 -0.07 -1.72 0.00 0.00 179.24 176.89 1x58 h LEU 48 N -0.41 -0.82 -0.16 1.55 3.38 -1.57 0.82 115.31 118.10 1x58 h LEU 48 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1x58 h LEU 48 Cb 0.39 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1x58 h LEU 48 CO -0.05 -0.33 0.08 0.00 0.09 0.00 0.00 178.44 178.22 1x58 h ALA 49 N 0.44 0.21 -0.22 1.53 0.00 -1.52 -0.24 119.26 119.46 1x58 h ALA 49 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1x58 h ALA 49 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x58 h ALA 49 CO -0.27 -0.23 0.05 1.25 0.00 0.00 0.00 179.25 180.05 1x58 h HIS 50 N 0.13 0.37 -0.08 0.00 -0.00 -1.00 -0.82 115.15 113.74 1x58 h HIS 50 Ca 0.05 -0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1x58 h HIS 50 Cb 0.12 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1x58 h HIS 50 CO -0.03 0.46 0.01 -0.22 -0.00 0.00 0.00 177.93 178.15 1x58 h LYS 51 N 0.17 0.04 -0.35 5.26 3.11 -0.66 -0.47 116.57 123.66 1x58 h LYS 51 Ca 0.07 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.95 1x58 h LYS 51 Cb 0.28 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 1x58 h LYS 51 CO 0.00 0.02 0.10 -0.92 -2.81 0.00 0.00 179.45 175.85 1x58 h TYR 52 N 0.04 0.17 -0.39 1.91 3.20 -0.95 0.23 116.97 121.18 1x58 h TYR 52 Ca 0.03 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1x58 h TYR 52 Cb 0.03 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1x58 h TYR 52 CO -0.11 0.06 0.03 1.25 -1.64 0.00 0.00 178.16 177.75 1x58 h HIS 53 N 0.23 0.04 0.00 -3.82 2.76 -0.81 0.89 115.15 114.45 1x58 h HIS 53 Ca 0.16 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 1x58 h HIS 53 Cb 0.16 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1x58 h HIS 53 CO -0.16 -0.04 -0.09 0.00 -1.30 0.00 0.00 177.93 176.34 1x58 h ARG 54 N 0.15 0.00 0.04 5.26 3.08 -0.25 -2.71 114.38 119.95 1x58 h ARG 54 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1x58 h ARG 54 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1x58 h ARG 54 CO -0.29 0.09 -0.02 -0.07 -1.07 0.00 0.00 179.97 178.62 1x58 h LEU 55 N 0.00 -0.05 -1.47 3.04 3.38 0.10 -3.38 115.31 116.94 1x58 h LEU 55 Ca -0.00 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 1x58 h LEU 55 Cb 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1x58 h LEU 55 CO 0.01 0.70 -0.21 0.16 0.09 0.00 0.00 178.44 179.19 1x58 h ILE 56 N -0.89 1.18 -3.02 1.22 3.07 -0.80 -3.44 117.51 114.83 1x58 h ILE 56 Ca -0.01 -0.83 -0.05 0.00 1.55 0.00 0.00 64.86 65.53 1x58 h ILE 56 Cb 0.68 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1x58 h ILE 56 CO 0.01 0.24 0.24 -0.24 -1.05 0.00 0.00 178.15 177.35 1x58 n SER 57 N -4.26 -2.15 0.00 2.16 2.88 -1.03 -5.12 113.62 106.11 1x58 n SER 57 Ca -0.02 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1x58 n SER 57 Cb 0.29 3.60 0.00 0.00 -0.75 0.00 0.00 64.21 67.35 1x58 n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x58 n GLY 58 N -0.52 -0.43 0.00 0.46 0.00 -1.26 -3.74 105.19 99.70 1x58 n GLY 58 Ca -0.08 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.15 0.05 0.00 1.61 -0.04 -1.26 -5.00 135.00 130.22 1x58 n PRO 59 Ca 0.00 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1x58 n PRO 59 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1x58 n PRO 59 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x58 n SER 60 N -1.46 0.00 -4.78 3.54 2.88 -1.26 -3.83 113.62 108.71 1x58 n SER 60 Ca 0.06 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.31 1x58 n SER 60 Cb 0.22 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1x58 n SER 60 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x58 s SER 61 N -4.00 5.50 0.00 -3.46 1.04 -1.26 -5.14 113.70 106.38 1x58 s SER 61 Ca 0.00 -0.06 0.19 0.00 0.48 0.00 0.00 55.95 56.56 1x58 s SER 61 Cb 0.00 -1.46 0.15 0.00 0.10 0.00 0.00 66.02 64.81 1x58 s SER 61 CO 0.00 0.14 1.11 0.61 0.98 0.00 0.00 173.24 176.07