#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 -4.03 1.61 3.41 -1.26 -5.09 113.62 108.26 1x58 n SER 2 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1x58 n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1x58 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x58 n SER 3 N -0.12 -0.37 -4.61 4.04 7.64 -1.26 -4.88 113.62 114.06 1x58 n SER 3 Ca 0.00 -1.05 -0.43 0.00 1.01 0.00 0.00 58.87 58.40 1x58 n SER 3 Cb 0.00 -2.81 -0.03 0.00 -1.01 0.00 0.00 64.21 60.37 1x58 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x58 s GLY 4 N -4.28 1.03 0.20 0.23 0.00 -1.26 -4.91 107.32 98.32 1x58 s GLY 4 Ca 0.07 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 1x58 s GLY 4 CO 0.91 3.07 0.44 -1.35 0.00 0.00 0.00 173.10 176.17 1x58 s SER 5 N 4.93 -0.12 0.72 1.64 1.04 -1.26 -5.14 113.70 115.51 1x58 s SER 5 Ca 0.73 -0.71 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1x58 s SER 5 Cb -0.22 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.47 1x58 s SER 5 CO 0.32 -1.03 1.11 -0.94 0.98 0.00 0.00 173.24 173.68 1x58 s SER 6 N -2.94 4.72 -0.08 7.02 1.04 -1.26 -4.65 113.70 117.55 1x58 s SER 6 Ca 0.15 1.95 -0.32 0.00 0.48 0.00 0.00 55.95 58.21 1x58 s SER 6 Cb 0.00 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.70 1x58 s SER 6 CO 0.01 -1.89 1.08 -0.83 0.98 0.00 0.00 173.24 172.58 1x58 s GLY 7 N -2.91 -0.37 -0.02 7.32 0.00 -1.26 -5.03 107.32 105.05 1x58 s GLY 7 Ca 0.65 1.18 -0.15 0.00 0.00 0.00 0.00 44.72 46.41 1x58 s GLY 7 CO 0.49 0.38 0.31 -1.60 0.00 0.00 0.00 173.10 172.68 1x58 s ARG 8 N -2.75 0.66 0.00 2.90 6.06 -1.26 -4.97 118.95 119.58 1x58 s ARG 8 Ca 0.08 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 1x58 s ARG 8 Cb -0.00 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.30 1x58 s ARG 8 CO -0.06 -0.18 0.00 1.63 -2.50 0.00 0.00 175.30 174.20 1x58 n LYS 9 N 1.35 0.00 -0.69 5.12 5.02 -1.26 -4.87 118.16 122.84 1x58 n LYS 9 Ca -0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.78 1x58 n LYS 9 Cb 0.56 -0.39 0.26 0.00 -0.02 0.00 0.00 35.03 35.44 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x58 s ASP 10 N 0.00 0.26 0.18 4.39 1.01 -1.26 -4.97 116.67 116.28 1x58 s ASP 10 Ca 0.00 0.96 -0.31 0.00 0.71 0.00 0.00 52.55 53.90 1x58 s ASP 10 Cb 0.00 -1.41 -0.10 0.00 1.01 0.00 0.00 42.92 42.41 1x58 s ASP 10 CO 0.00 -4.57 1.57 -0.36 0.21 0.00 0.00 175.17 172.02 1x58 s PHE 11 N -2.59 3.05 1.00 4.23 0.40 -1.26 -5.02 117.98 117.78 1x58 s PHE 11 Ca 0.69 0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 57.52 1x58 s PHE 11 Cb -0.15 -3.93 0.19 0.00 0.51 0.00 0.00 43.02 39.63 1x58 s PHE 11 CO 0.59 -3.41 1.16 -0.08 0.70 0.00 0.00 175.22 174.18 1x58 s THR 12 N 1.03 1.91 0.20 0.64 -1.32 -1.26 -4.84 115.64 111.99 1x58 s THR 12 Ca 0.69 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 61.03 1x58 s THR 12 Cb -0.44 -2.71 0.21 0.00 -1.51 0.00 0.00 72.50 68.05 1x58 s THR 12 CO 0.33 0.00 1.63 0.50 -2.21 0.00 0.00 174.62 174.87 1x58 h LYS 13 N -1.81 -0.01 -0.77 7.08 3.11 -1.91 -2.01 116.57 120.24 1x58 h LYS 13 Ca -0.49 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.41 1x58 h LYS 13 Cb 1.31 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.49 1x58 h LYS 13 CO 0.51 -0.01 0.51 0.93 -2.81 0.00 0.00 179.45 178.58 1x58 h GLU 14 N -0.01 0.85 0.10 1.90 3.07 -1.95 -0.04 114.58 118.50 1x58 h GLU 14 Ca 0.28 -0.05 -0.26 0.00 -0.50 0.00 0.00 59.36 58.82 1x58 h GLU 14 Cb 0.44 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1x58 h GLU 14 CO -0.61 0.56 -1.18 0.93 -1.40 0.00 0.00 179.01 177.31 1x58 h GLU 15 N 0.88 0.31 -0.66 2.33 4.39 -1.74 -2.89 114.58 117.20 1x58 h GLU 15 Ca 0.32 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1x58 h GLU 15 Cb 0.16 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1x58 h GLU 15 CO -0.10 1.20 0.26 0.28 -1.16 0.00 0.00 179.01 179.48 1x58 h VAL 16 N 0.11 1.23 -0.23 3.13 2.07 -0.81 0.76 116.25 122.50 1x58 h VAL 16 Ca -0.13 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1x58 h VAL 16 Cb 1.88 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 1x58 h VAL 16 CO 0.20 0.29 -0.14 -1.13 0.02 0.00 0.00 177.57 176.81 1x58 h ASN 17 N 0.95 -0.46 0.42 0.57 -1.24 -0.98 -1.41 115.58 113.44 1x58 h ASN 17 Ca 0.22 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.26 1x58 h ASN 17 Cb 0.19 0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1x58 h ASN 17 CO -0.02 -0.18 -0.35 1.88 -1.29 0.00 0.00 177.43 177.48 1x58 h TYR 18 N -0.12 0.00 0.36 0.67 0.05 -1.19 0.12 116.97 116.85 1x58 h TYR 18 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 1x58 h TYR 18 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1x58 h TYR 18 CO -0.31 0.35 -0.17 1.25 -1.05 0.00 0.00 178.16 178.23 1x58 h LEU 19 N 0.00 -0.41 0.07 3.88 7.12 -0.18 0.16 115.31 125.94 1x58 h LEU 19 Ca -0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1x58 h LEU 19 Cb 0.65 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1x58 h LEU 19 CO 0.05 -0.23 -0.03 -0.26 -0.13 0.00 0.00 178.44 177.83 1x58 h PHE 20 N -0.55 -0.08 -0.25 1.25 0.04 -1.08 -1.75 116.94 114.51 1x58 h PHE 20 Ca -0.05 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.76 1x58 h PHE 20 Cb 0.41 0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 1x58 h PHE 20 CO -0.03 -0.03 0.00 1.25 -0.60 0.00 0.00 178.31 178.90 1x58 h HIS 21 N -0.12 -0.01 0.30 -0.55 2.76 -0.91 0.29 115.15 116.92 1x58 h HIS 21 Ca -0.01 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1x58 h HIS 21 Cb 0.09 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1x58 h HIS 21 CO -0.07 -0.04 -0.15 0.78 -1.30 0.00 0.00 177.93 177.16 1x58 h GLY 22 N 0.08 -0.43 2.00 5.26 0.00 -0.68 -2.49 103.07 106.82 1x58 h GLY 22 Ca 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1x58 h GLY 22 CO -0.20 -0.16 -0.00 -2.08 0.00 0.00 0.00 176.54 174.10 1x58 h VAL 23 N -0.51 0.86 -0.25 4.60 2.07 -1.14 -0.17 116.25 121.71 1x58 h VAL 23 Ca -0.04 -0.02 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1x58 h VAL 23 Cb 0.38 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1x58 h VAL 23 CO 0.07 0.00 -0.51 0.50 0.02 0.00 0.00 177.57 177.65 1x58 h LYS 24 N 0.00 0.71 0.00 1.57 3.11 -0.50 0.90 116.57 122.36 1x58 h LYS 24 Ca -0.00 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1x58 h LYS 24 Cb 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1x58 h LYS 24 CO 0.00 1.05 -1.49 -2.37 -2.81 0.00 0.00 179.45 173.83 1x58 n THR 25 N -3.99 0.27 -0.00 1.00 5.66 -0.93 -4.56 114.28 111.73 1x58 n THR 25 Ca -0.03 -0.49 0.02 0.00 -3.05 0.00 0.00 64.05 60.49 1x58 n THR 25 Cb 0.60 -0.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.39 0.32 0.00 1.09 2.81 -0.12 -5.11 117.12 113.71 1x58 n MET 26 Ca -0.02 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1x58 n MET 26 Cb 0.55 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 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 2.30 1.00 0.72 3.03 0.00 0.31 -4.03 105.19 108.52 1x58 n GLY 27 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.94 0.83 -4.55 1.61 6.94 -1.26 -4.49 115.26 111.40 1x58 n ASN 28 Ca 0.00 -0.89 -0.42 0.00 -0.02 0.00 0.00 54.58 53.25 1x58 n ASN 28 Cb 0.00 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.17 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1x58 s HIS 29 N -0.33 2.49 -0.03 -2.53 3.76 -1.26 -4.88 115.29 112.51 1x58 s HIS 29 Ca 0.00 0.12 -0.10 0.00 -0.15 0.00 0.00 55.06 54.93 1x58 s HIS 29 Cb 0.00 -4.51 -0.31 0.00 1.11 0.00 0.00 32.58 28.87 1x58 s HIS 29 CO 0.00 -1.78 0.74 -1.49 -0.85 0.00 0.00 174.74 171.36 1x58 h TRP 30 N 9.73 0.69 -0.17 1.40 4.06 -1.91 -3.32 115.95 126.44 1x58 h TRP 30 Ca -0.27 -0.51 0.02 0.00 2.06 0.00 0.00 58.89 60.19 1x58 h TRP 30 Cb 1.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.17 1x58 h TRP 30 CO 1.06 1.60 0.06 -2.95 -3.56 0.00 0.00 178.44 174.65 1x58 h ASN 31 N 0.10 0.07 -0.23 -3.49 7.08 -1.90 -2.24 115.58 114.98 1x58 h ASN 31 Ca -0.31 0.02 0.03 0.00 -3.08 0.00 0.00 56.30 52.96 1x58 h ASN 31 Cb 2.09 0.01 -0.03 0.00 -2.08 0.00 0.00 38.32 38.31 1x58 h ASN 31 CO 0.19 0.06 0.02 0.28 -2.08 0.00 0.00 177.43 175.90 1x58 h SER 32 N 0.14 -0.04 -0.43 6.14 0.02 -1.99 -2.86 113.55 114.53 1x58 h SER 32 Ca 0.07 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1x58 h SER 32 Cb 0.04 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1x58 h SER 32 CO -0.07 0.01 0.12 0.40 -1.14 0.00 0.00 176.83 176.15 1x58 h ILE 33 N 0.10 0.81 -0.61 3.27 2.04 -1.60 0.99 117.51 122.52 1x58 h ILE 33 Ca 0.11 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 66.05 1x58 h ILE 33 Cb 0.12 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1x58 h ILE 33 CO -0.16 0.05 0.44 0.25 0.00 0.00 0.00 178.15 178.73 1x58 h LEU 34 N 0.26 0.00 0.00 1.44 6.46 -1.17 -0.62 115.31 121.69 1x58 h LEU 34 Ca 0.21 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.72 1x58 h LEU 34 Cb 0.23 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1x58 h LEU 34 CO -0.24 0.00 -2.17 0.79 -0.62 0.00 0.00 178.44 176.20 1x58 n TRP 35 N -4.36 0.12 0.30 1.25 8.01 -0.84 -4.51 117.44 117.41 1x58 n TRP 35 Ca 0.12 0.04 0.18 0.00 -1.31 0.00 0.00 57.50 56.52 1x58 n TRP 35 Cb 0.68 -0.87 0.95 0.00 -2.01 0.00 0.00 31.31 30.06 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 -4.44 -0.99 0.87 0.82 -3.43 113.55 106.37 1x58 h SER 36 Ca -0.35 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.94 1x58 h SER 36 Cb 1.82 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.64 1x58 h SER 36 CO 0.02 0.03 -0.68 -0.36 -0.53 0.00 0.00 176.83 175.31 1x58 s PHE 37 N -4.16 1.10 -0.49 2.24 0.08 -1.16 -5.07 117.98 110.52 1x58 s PHE 37 Ca -0.03 -0.93 -0.29 0.00 0.12 0.00 0.00 56.93 55.80 1x58 s PHE 37 Cb 0.13 -0.62 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1x58 s PHE 37 CO 0.50 -0.13 1.23 -1.25 -0.10 0.00 0.00 175.22 175.47 1x58 s PRO 38 N -3.85 3.63 0.47 0.24 0.04 -1.26 -4.87 135.00 129.39 1x58 s PRO 38 Ca 0.18 0.59 0.08 0.00 0.04 0.00 0.00 61.00 61.89 1x58 s PRO 38 Cb 0.05 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.66 1x58 s PRO 38 CO 0.00 -1.51 0.64 -0.06 0.04 0.00 0.00 177.00 176.11 1x58 s PHE 39 N 4.86 2.46 0.62 0.56 0.08 -1.26 -4.92 117.98 120.38 1x58 s PHE 39 Ca 0.51 -0.46 -0.18 0.00 0.12 0.00 0.00 56.93 56.91 1x58 s PHE 39 Cb -0.09 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 1x58 s PHE 39 CO 0.31 -0.63 1.01 1.04 -0.10 0.00 0.00 175.22 176.85 1x58 n GLN 40 N -1.97 0.89 -1.81 0.44 6.02 -1.26 -4.96 117.38 114.74 1x58 n GLN 40 Ca 0.10 0.35 -0.32 0.00 -0.01 0.00 0.00 57.00 57.12 1x58 n GLN 40 Cb 0.60 -2.23 0.04 0.00 1.02 0.00 0.00 30.24 29.67 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 -2.89 2.97 -1.40 -1.09 3.01 -1.26 -3.83 119.74 115.25 1x58 s LYS 41 Ca 0.78 1.25 0.00 0.00 -1.01 0.00 0.00 55.97 56.99 1x58 s LYS 41 Cb -0.40 -1.98 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1x58 s LYS 41 CO 0.45 -1.09 0.00 0.41 0.51 0.00 0.00 175.35 175.63 1x58 n GLY 42 N -0.91 1.22 3.89 -3.33 0.00 -1.26 -5.01 105.19 99.79 1x58 n GLY 42 Ca 0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.33 3.19 0.30 1.61 1.81 -1.25 -5.12 118.95 116.16 1x58 s ARG 43 Ca 0.00 0.42 0.09 0.00 -1.72 0.00 0.00 55.73 54.52 1x58 s ARG 43 Cb 0.00 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1x58 s ARG 43 CO 0.00 -0.71 0.06 1.03 -0.68 0.00 0.00 175.30 175.00 1x58 s ARG 44 N -5.15 2.32 0.47 3.54 0.52 -1.26 -5.03 118.95 114.36 1x58 s ARG 44 Ca 0.55 -1.49 0.21 0.00 -0.52 0.00 0.00 55.73 54.48 1x58 s ARG 44 Cb -0.11 -2.16 1.15 0.00 0.52 0.00 0.00 34.95 34.36 1x58 s ARG 44 CO 0.50 0.24 1.98 0.00 0.02 0.00 0.00 175.30 178.04 1x58 h ALA 45 N 1.73 1.35 0.00 2.13 0.00 -1.94 -2.64 119.26 119.89 1x58 h ALA 45 Ca -0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1x58 h ALA 45 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x58 h ALA 45 CO 0.62 0.25 -0.17 -0.39 0.00 0.00 0.00 179.25 179.56 1x58 h VAL 46 N 0.00 0.56 -0.66 0.00 -1.51 -1.96 -2.59 116.25 110.09 1x58 h VAL 46 Ca -0.00 -0.79 -0.04 0.00 -1.23 0.00 0.00 66.70 64.64 1x58 h VAL 46 Cb 0.45 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 1x58 h VAL 46 CO 0.03 0.16 0.26 0.44 -1.23 0.00 0.00 177.57 177.23 1x58 h ASP 47 N 0.00 0.89 0.08 4.19 3.32 -1.88 0.12 116.42 123.14 1x58 h ASP 47 Ca -0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1x58 h ASP 47 Cb 0.51 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1x58 h ASP 47 CO 0.02 0.80 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.23 1x58 h LEU 48 N 0.96 -0.09 -0.91 1.55 3.38 -1.60 -1.66 115.31 116.93 1x58 h LEU 48 Ca 0.22 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1x58 h LEU 48 Cb 0.19 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1x58 h LEU 48 CO -0.02 0.04 0.11 0.00 0.09 0.00 0.00 178.44 178.67 1x58 h ALA 49 N 0.70 1.11 0.43 1.53 0.00 -1.39 -0.80 119.26 120.84 1x58 h ALA 49 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1x58 h ALA 49 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1x58 h ALA 49 CO 0.02 0.59 -0.21 1.25 0.00 0.00 0.00 179.25 180.90 1x58 h HIS 50 N 0.87 -0.54 -0.83 0.00 6.17 -0.69 -1.44 115.15 118.69 1x58 h HIS 50 Ca 0.18 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.32 1x58 h HIS 50 Cb 0.35 0.18 -0.06 0.00 2.52 0.00 0.00 27.41 30.40 1x58 h HIS 50 CO 0.02 -0.31 0.50 -0.22 0.71 0.00 0.00 177.93 178.63 1x58 h LYS 51 N -0.62 0.87 -0.13 5.26 1.63 -0.81 -1.86 116.57 120.91 1x58 h LYS 51 Ca -0.06 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1x58 h LYS 51 Cb 0.47 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1x58 h LYS 51 CO 0.10 0.58 0.03 -0.92 -3.45 0.00 0.00 179.45 175.79 1x58 h TYR 52 N 0.90 0.06 0.00 1.91 3.20 -1.10 0.85 116.97 122.78 1x58 h TYR 52 Ca 0.37 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1x58 h TYR 52 Cb 0.23 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1x58 h TYR 52 CO -0.04 0.03 -0.01 0.45 -1.64 0.00 0.00 178.16 176.94 1x58 h HIS 53 N 0.09 0.00 0.00 -3.82 3.86 -0.49 -0.26 115.15 114.53 1x58 h HIS 53 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1x58 h HIS 53 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1x58 h HIS 53 CO -0.12 0.01 -0.04 0.00 0.86 0.00 0.00 177.93 178.65 1x58 h ARG 54 N 0.00 0.02 0.24 2.45 2.47 -0.57 -3.35 114.38 115.64 1x58 h ARG 54 Ca -0.00 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1x58 h ARG 54 Cb 0.12 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1x58 h ARG 54 CO 0.00 0.90 -0.34 -0.07 0.56 0.00 0.00 179.97 181.02 1x58 h LEU 55 N -0.85 -0.95 -1.94 3.04 3.38 0.61 -2.48 115.31 116.13 1x58 h LEU 55 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1x58 h LEU 55 Cb 0.91 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1x58 h LEU 55 CO 0.01 -0.46 -0.08 0.16 0.09 0.00 0.00 178.44 178.17 1x58 h ILE 56 N -0.65 0.31 0.00 1.22 3.07 -1.33 -2.41 117.51 117.72 1x58 h ILE 56 Ca 0.00 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1x58 h ILE 56 Cb 0.62 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1x58 h ILE 56 CO -0.12 0.07 0.00 -0.24 -1.05 0.00 0.00 178.15 176.81 1x58 n SER 57 N -3.37 0.00 0.00 2.16 2.88 -0.93 -5.01 113.62 109.35 1x58 n SER 57 Ca -0.01 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x58 n SER 57 Cb 0.24 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.30 -1.53 2.28 0.46 0.00 -0.91 -4.80 105.19 100.99 1x58 n GLY 58 Ca 0.05 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 0.00 3.49 -1.66 1.61 -0.04 -1.26 -4.72 135.00 132.43 1x58 n PRO 59 Ca 0.00 -2.14 -0.47 0.00 -0.04 0.00 0.00 63.50 60.85 1x58 n PRO 59 Cb 0.00 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 30.78 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 3.13 3.52 0.20 3.54 2.88 -1.26 -4.63 113.62 120.99 1x58 n SER 60 Ca 0.71 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1x58 n SER 60 Cb 0.35 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1x58 n SER 60 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x58 n SER 61 N 7.46 -3.02 0.00 -3.46 2.88 -1.26 -5.14 113.62 111.09 1x58 n SER 61 Ca 0.24 0.75 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 1x58 n SER 61 Cb 0.33 2.88 0.77 0.00 -0.75 0.00 0.00 64.21 67.44 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42