#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 -7.26 -0.05 1.61 7.64 -1.26 -5.01 113.62 109.29 1x58 n SER 2 Ca 0.00 0.11 -0.07 0.00 1.01 0.00 0.00 58.87 59.92 1x58 n SER 2 Cb 0.00 -4.90 -0.14 0.00 -1.01 0.00 0.00 64.21 58.16 1x58 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x58 n SER 3 N -1.25 0.42 0.00 6.43 3.41 -1.26 -5.02 113.62 116.35 1x58 n SER 3 Ca 0.03 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1x58 n SER 3 Cb 0.47 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x58 n GLY 4 N 1.60 1.69 3.71 5.00 0.00 -1.26 -4.83 105.19 111.10 1x58 n GLY 4 Ca -0.22 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1x58 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x58 n SER 5 N 3.30 -5.03 -4.06 1.61 7.64 -1.26 -5.04 113.62 110.77 1x58 n SER 5 Ca 0.00 -0.74 -0.15 0.00 1.01 0.00 0.00 58.87 58.99 1x58 n SER 5 Cb 0.00 -1.67 -0.12 0.00 -1.01 0.00 0.00 64.21 61.41 1x58 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x58 s SER 6 N -2.56 0.98 0.00 6.43 0.01 -1.26 -5.16 113.70 112.14 1x58 s SER 6 Ca 0.11 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x58 s SER 6 Cb -0.01 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1x58 s SER 6 CO 0.89 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 175.05 1x58 n GLY 7 N 1.84 4.34 0.00 3.44 0.00 -1.26 -5.03 105.19 108.52 1x58 n GLY 7 Ca -0.20 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.48 0.00 0.15 1.61 0.63 -0.94 -4.65 116.66 111.99 1x58 n ARG 8 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1x58 n ARG 8 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1x58 n ARG 8 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1x58 h LYS 9 N 0.00 -0.44 -0.04 -0.14 1.57 -2.02 -2.04 116.57 113.46 1x58 h LYS 9 Ca 0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x58 h LYS 9 Cb 0.00 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1x58 h LYS 9 CO 0.00 -0.29 -0.02 0.22 -0.57 0.00 0.00 179.45 178.78 1x58 h ASP 10 N -0.46 0.09 -2.54 0.86 1.82 -2.02 -3.39 116.42 110.78 1x58 h ASP 10 Ca 0.00 -0.42 -0.50 0.00 -0.39 0.00 0.00 57.03 55.72 1x58 h ASP 10 Cb 0.43 -0.03 -0.38 0.00 0.68 0.00 0.00 39.33 40.04 1x58 h ASP 10 CO -0.06 0.49 -0.77 -0.36 -1.61 0.00 0.00 179.24 176.93 1x58 s PHE 11 N -4.54 0.27 0.83 0.28 0.40 -1.24 -5.09 117.98 108.88 1x58 s PHE 11 Ca -0.15 -1.02 -0.11 0.00 -0.60 0.00 0.00 56.93 55.05 1x58 s PHE 11 Cb 0.03 -0.79 0.09 0.00 0.51 0.00 0.00 43.02 42.86 1x58 s PHE 11 CO 0.69 -0.86 1.10 -0.08 0.70 0.00 0.00 175.22 176.77 1x58 s THR 12 N 1.73 2.93 0.38 0.64 -1.32 -0.77 -2.20 115.64 117.04 1x58 s THR 12 Ca 0.13 0.30 0.13 0.00 -1.21 0.00 0.00 61.69 61.04 1x58 s THR 12 Cb -0.18 -2.97 0.35 0.00 -1.51 0.00 0.00 72.50 68.19 1x58 s THR 12 CO -0.20 -0.40 1.86 0.11 -2.21 0.00 0.00 174.62 173.78 1x58 h LYS 13 N -1.23 0.55 0.35 7.08 1.57 -1.83 -0.81 116.57 122.25 1x58 h LYS 13 Ca -0.48 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1x58 h LYS 13 Cb 1.27 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x58 h LYS 13 CO 0.58 0.36 -0.17 0.93 -0.57 0.00 0.00 179.45 180.58 1x58 h GLU 14 N 0.56 -0.45 -0.65 3.15 4.39 -1.98 -0.66 114.58 118.94 1x58 h GLU 14 Ca 0.47 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 1x58 h GLU 14 Cb 0.93 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1x58 h GLU 14 CO -0.21 -0.14 0.34 0.93 -1.16 0.00 0.00 179.01 178.77 1x58 h GLU 15 N -0.78 0.90 -0.28 2.33 4.39 -1.76 0.26 114.58 119.65 1x58 h GLU 15 Ca -0.05 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 1x58 h GLU 15 Cb 0.52 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1x58 h GLU 15 CO 0.08 0.67 -0.37 0.28 -1.16 0.00 0.00 179.01 178.52 1x58 h VAL 16 N 0.91 1.29 -0.22 3.13 2.07 -1.07 0.17 116.25 122.52 1x58 h VAL 16 Ca 0.23 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1x58 h VAL 16 Cb 0.04 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1x58 h VAL 16 CO -0.04 0.48 -0.11 0.78 0.02 0.00 0.00 177.57 178.70 1x58 h ASN 17 N 0.52 0.49 -0.53 0.57 2.35 -0.44 -2.08 115.58 116.46 1x58 h ASN 17 Ca 0.05 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.40 1x58 h ASN 17 Cb 0.87 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1x58 h ASN 17 CO 0.08 0.79 0.35 1.88 -1.65 0.00 0.00 177.43 178.88 1x58 h TYR 18 N 0.18 0.65 0.45 1.19 0.05 -0.77 0.19 116.97 118.91 1x58 h TYR 18 Ca 0.05 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1x58 h TYR 18 Cb 0.61 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1x58 h TYR 18 CO 0.06 0.40 -0.31 1.25 -1.05 0.00 0.00 178.16 178.52 1x58 h LEU 19 N 0.70 -0.80 -0.48 3.88 7.12 -0.51 0.83 115.31 126.05 1x58 h LEU 19 Ca 0.20 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.25 1x58 h LEU 19 Cb -0.04 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1x58 h LEU 19 CO -0.05 -0.48 0.23 -0.26 -0.13 0.00 0.00 178.44 177.76 1x58 h PHE 20 N -0.74 0.70 -0.68 1.25 0.04 -0.78 -0.12 116.94 116.60 1x58 h PHE 20 Ca -0.05 -0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.80 1x58 h PHE 20 Cb 0.62 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 38.48 1x58 h PHE 20 CO -0.12 0.55 0.29 0.45 -0.60 0.00 0.00 178.31 178.88 1x58 h HIS 21 N 0.64 0.50 0.51 -0.55 3.86 -0.49 0.37 115.15 119.99 1x58 h HIS 21 Ca 0.17 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1x58 h HIS 21 Cb 0.12 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 28.47 1x58 h HIS 21 CO -0.01 0.13 -0.25 0.78 0.86 0.00 0.00 177.93 179.45 1x58 h GLY 22 N 0.48 -0.72 2.00 2.45 0.00 -0.44 -2.42 103.07 104.41 1x58 h GLY 22 Ca 0.35 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1x58 h GLY 22 CO -0.32 -0.26 0.00 -2.08 0.00 0.00 0.00 176.54 173.88 1x58 h VAL 23 N -0.93 0.00 0.25 4.60 2.07 -0.75 0.12 116.25 121.60 1x58 h VAL 23 Ca -0.07 -0.18 -0.34 0.00 0.82 0.00 0.00 66.70 66.93 1x58 h VAL 23 Cb 0.61 0.96 0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1x58 h VAL 23 CO 0.12 0.00 -1.52 0.50 0.02 0.00 0.00 177.57 176.68 1x58 h LYS 24 N 0.00 0.52 0.00 1.57 3.11 -0.86 -2.28 116.57 118.64 1x58 h LYS 24 Ca 0.00 -0.90 0.00 0.00 -2.81 0.00 0.00 60.65 56.94 1x58 h LYS 24 Cb 0.22 0.33 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1x58 h LYS 24 CO 0.00 1.43 -0.96 -2.37 -2.81 0.00 0.00 179.45 174.74 1x58 n THR 25 N -3.70 0.06 0.00 1.00 5.66 -0.55 -4.56 114.28 112.19 1x58 n THR 25 Ca -0.18 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1x58 n THR 25 Cb 1.10 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 70.38 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 -1.71 0.00 0.00 1.09 2.81 0.31 -5.07 117.12 114.55 1x58 n MET 26 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1x58 n MET 26 Cb 0.38 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 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 2.63 -0.90 0.26 3.03 0.00 -0.86 -4.67 105.19 104.69 1x58 n GLY 27 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.02 0.05 -4.55 1.61 6.94 -1.26 -4.37 115.26 113.70 1x58 n ASN 28 Ca 0.00 -0.20 -0.40 0.00 -0.02 0.00 0.00 54.58 53.96 1x58 n ASN 28 Cb 0.00 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.48 2.27 -0.05 -2.53 3.76 -1.26 -4.83 115.29 111.16 1x58 s HIS 29 Ca 0.00 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 1x58 s HIS 29 Cb 0.00 -4.58 -0.24 0.00 1.11 0.00 0.00 32.58 28.87 1x58 s HIS 29 CO 0.00 -2.06 1.01 -1.49 -0.85 0.00 0.00 174.74 171.36 1x58 h TRP 30 N 10.44 0.30 -0.56 1.40 4.06 -1.91 -2.79 115.95 126.89 1x58 h TRP 30 Ca -0.16 -0.17 -0.02 0.00 2.06 0.00 0.00 58.89 60.60 1x58 h TRP 30 Cb 1.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.15 1x58 h TRP 30 CO 1.16 0.99 0.26 -0.91 -3.56 0.00 0.00 178.44 176.38 1x58 h ASN 31 N -0.48 0.75 -0.03 -3.49 2.35 -1.88 -0.69 115.58 112.12 1x58 h ASN 31 Ca -0.04 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1x58 h ASN 31 Cb 1.08 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1x58 h ASN 31 CO 0.06 0.68 0.01 0.28 -1.65 0.00 0.00 177.43 176.81 1x58 h SER 32 N 0.76 0.01 -0.59 5.81 0.02 -1.97 -2.39 113.55 115.21 1x58 h SER 32 Ca 0.19 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1x58 h SER 32 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1x58 h SER 32 CO -0.02 0.01 0.35 0.40 -1.14 0.00 0.00 176.83 176.43 1x58 h ILE 33 N 0.03 1.05 -0.56 3.27 2.04 -1.21 0.24 117.51 122.36 1x58 h ILE 33 Ca 0.01 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.74 1x58 h ILE 33 Cb 0.01 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1x58 h ILE 33 CO -0.01 0.12 0.10 0.25 0.00 0.00 0.00 178.15 178.61 1x58 h LEU 34 N 0.68 -0.04 0.00 1.44 6.46 -0.73 -0.64 115.31 122.48 1x58 h LEU 34 Ca 0.24 0.11 -0.22 0.00 -0.12 0.00 0.00 57.88 57.89 1x58 h LEU 34 Cb 0.05 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1x58 h LEU 34 CO -0.11 -0.00 -1.29 -0.50 -0.62 0.00 0.00 178.44 175.91 1x58 h TRP 35 N 0.22 0.00 0.00 1.25 6.55 -1.20 -3.39 115.95 119.39 1x58 h TRP 35 Ca 0.29 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.13 1x58 h TRP 35 Cb 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.72 1x58 h TRP 35 CO -0.26 0.86 -0.00 1.03 -1.05 0.00 0.00 178.44 179.02 1x58 h SER 36 N 0.00 -0.00 -3.74 -3.49 0.87 0.28 -3.45 113.55 104.02 1x58 h SER 36 Ca -0.14 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.93 1x58 h SER 36 Cb 1.78 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.72 1x58 h SER 36 CO 0.09 -0.00 0.13 -0.36 -0.53 0.00 0.00 176.83 176.16 1x58 s PHE 37 N -3.01 3.42 -0.51 2.24 0.40 -0.32 -4.98 117.98 115.21 1x58 s PHE 37 Ca -0.00 1.30 -0.28 0.00 -0.60 0.00 0.00 56.93 57.36 1x58 s PHE 37 Cb 0.00 -2.59 0.03 0.00 0.51 0.00 0.00 43.02 40.97 1x58 s PHE 37 CO 0.00 0.12 1.10 -1.25 0.70 0.00 0.00 175.22 175.88 1x58 s PRO 38 N -2.81 3.59 0.17 0.24 0.04 -1.26 -4.79 135.00 130.18 1x58 s PRO 38 Ca 0.53 0.31 0.07 0.00 0.04 0.00 0.00 61.00 61.96 1x58 s PRO 38 Cb -0.11 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1x58 s PRO 38 CO 0.18 -1.46 -0.01 -0.06 0.04 0.00 0.00 177.00 175.69 1x58 s PHE 39 N 4.43 2.83 0.17 0.56 0.08 -1.26 -5.00 117.98 119.79 1x58 s PHE 39 Ca 0.43 -0.14 -0.34 0.00 0.12 0.00 0.00 56.93 57.00 1x58 s PHE 39 Cb -0.08 -1.38 -0.14 0.00 -0.57 0.00 0.00 43.02 40.85 1x58 s PHE 39 CO 0.28 0.52 1.55 1.04 -0.10 0.00 0.00 175.22 178.50 1x58 n GLN 40 N -0.09 2.08 -1.85 0.44 6.02 -1.26 -4.88 117.38 117.85 1x58 n GLN 40 Ca -0.10 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.22 1x58 n GLN 40 Cb 0.55 -2.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.28 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 0.75 3.95 0.00 -1.09 3.01 -1.26 -1.21 119.74 123.89 1x58 s LYS 41 Ca 0.78 2.23 0.00 0.00 -1.01 0.00 0.00 55.97 57.97 1x58 s LYS 41 Cb -0.69 -4.11 0.00 0.00 -1.01 0.00 0.00 37.83 32.02 1x58 s LYS 41 CO 0.40 -1.14 0.00 0.41 0.51 0.00 0.00 175.35 175.53 1x58 n GLY 42 N 4.60 1.33 3.76 -3.33 0.00 -1.26 -5.13 105.19 105.16 1x58 n GLY 42 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 3.56 0.47 1.61 3.00 -0.35 -5.03 118.95 122.21 1x58 s ARG 43 Ca 0.00 2.13 0.03 0.00 0.00 0.00 0.00 55.73 57.89 1x58 s ARG 43 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 34.95 32.45 1x58 s ARG 43 CO 0.00 -0.82 0.01 1.03 0.00 0.00 0.00 175.30 175.51 1x58 s ARG 44 N -2.64 2.10 0.24 3.54 0.52 -1.26 -5.01 118.95 116.44 1x58 s ARG 44 Ca 0.65 -2.29 -0.06 0.00 -0.52 0.00 0.00 55.73 53.51 1x58 s ARG 44 Cb -0.37 -1.56 0.29 0.00 0.52 0.00 0.00 34.95 33.82 1x58 s ARG 44 CO 0.46 -0.24 1.88 0.00 0.02 0.00 0.00 175.30 177.41 1x58 h ALA 45 N 1.52 1.18 -0.10 2.13 0.00 -1.94 -2.91 119.26 119.14 1x58 h ALA 45 Ca -0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1x58 h ALA 45 Cb 1.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x58 h ALA 45 CO 0.77 0.40 -0.20 -0.39 0.00 0.00 0.00 179.25 179.83 1x58 h VAL 46 N 1.09 1.19 -0.34 0.00 -1.51 -1.96 -1.90 116.25 112.82 1x58 h VAL 46 Ca 0.36 -0.88 0.07 0.00 -1.23 0.00 0.00 66.70 65.01 1x58 h VAL 46 Cb 0.05 1.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.48 1x58 h VAL 46 CO -0.13 0.27 -0.09 0.44 -1.23 0.00 0.00 177.57 176.83 1x58 h ASP 47 N 0.15 -0.33 0.02 4.19 3.32 -1.90 0.94 116.42 122.80 1x58 h ASP 47 Ca 0.03 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1x58 h ASP 47 Cb 0.44 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1x58 h ASP 47 CO 0.03 -0.12 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.35 1x58 h LEU 48 N -0.01 -0.02 -0.14 1.55 3.38 -1.42 -0.67 115.31 117.98 1x58 h LEU 48 Ca 0.16 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x58 h LEU 48 Cb 0.25 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x58 h LEU 48 CO -0.35 0.23 0.04 0.00 0.09 0.00 0.00 178.44 178.44 1x58 h ALA 49 N 0.70 0.14 0.18 1.53 0.00 -1.21 -1.44 119.26 119.16 1x58 h ALA 49 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x58 h ALA 49 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1x58 h ALA 49 CO 0.00 -0.41 -0.09 1.25 0.00 0.00 0.00 179.25 180.01 1x58 h HIS 50 N 0.10 -0.23 -0.38 0.00 -0.00 -0.73 0.99 115.15 114.91 1x58 h HIS 50 Ca 0.06 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1x58 h HIS 50 Cb 0.04 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.47 1x58 h HIS 50 CO -0.11 -0.11 0.03 -0.22 -0.00 0.00 0.00 177.93 177.51 1x58 h LYS 51 N -0.28 0.13 -0.01 5.26 3.11 -0.87 0.83 116.57 124.75 1x58 h LYS 51 Ca -0.03 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1x58 h LYS 51 Cb 0.22 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1x58 h LYS 51 CO 0.04 0.09 0.00 -0.92 -2.81 0.00 0.00 179.45 175.85 1x58 h TYR 52 N 0.14 0.02 -0.87 1.91 3.20 -1.12 0.40 116.97 120.65 1x58 h TYR 52 Ca 0.18 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.12 1x58 h TYR 52 Cb 0.24 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1x58 h TYR 52 CO -0.23 0.20 0.57 1.25 -1.64 0.00 0.00 178.16 178.30 1x58 h HIS 53 N -0.17 0.98 0.26 -3.82 2.76 -0.25 0.49 115.15 115.41 1x58 h HIS 53 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1x58 h HIS 53 Cb 0.19 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.83 1x58 h HIS 53 CO -0.01 0.51 -0.13 0.00 -1.30 0.00 0.00 177.93 177.00 1x58 h ARG 54 N 0.97 -0.34 -0.17 5.26 2.47 -0.78 -3.26 114.38 118.53 1x58 h ARG 54 Ca 0.37 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 59.17 1x58 h ARG 54 Cb 0.22 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1x58 h ARG 54 CO -0.14 -0.05 0.15 -0.07 0.56 0.00 0.00 179.97 180.42 1x58 h LEU 55 N -0.64 0.00 0.00 3.04 3.38 0.80 0.12 115.31 122.01 1x58 h LEU 55 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x58 h LEU 55 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1x58 h LEU 55 CO 0.06 0.00 -0.18 2.30 0.09 0.00 0.00 178.44 180.71 1x58 n ILE 56 N -4.13 0.28 -1.54 1.22 -5.35 -0.01 -4.42 119.36 105.40 1x58 n ILE 56 Ca 0.01 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1x58 n ILE 56 Cb 0.28 -0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 37.76 1x58 n ILE 56 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1x58 n SER 57 N -1.88 -3.31 -4.80 7.28 7.64 0.03 -4.91 113.62 113.67 1x58 n SER 57 Ca 0.06 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 1x58 n SER 57 Cb 0.39 -3.07 0.08 0.00 -1.01 0.00 0.00 64.21 60.60 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 -2.03 1.64 -0.58 0.23 0.00 -1.26 -4.87 107.32 100.45 1x58 s GLY 58 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 1x58 s GLY 58 CO 0.00 0.32 2.04 2.56 0.00 0.00 0.00 173.10 178.02 1x58 s PRO 59 N -5.08 2.45 -0.30 2.90 0.04 -1.26 -4.76 135.00 128.99 1x58 s PRO 59 Ca 0.60 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 1x58 s PRO 59 Cb -0.15 -4.47 0.17 0.00 0.04 0.00 0.00 34.50 30.10 1x58 s PRO 59 CO 0.55 -2.93 1.23 0.45 0.04 0.00 0.00 177.00 176.34 1x58 s SER 60 N 9.39 -0.06 -1.13 6.66 0.15 -1.26 -5.03 113.70 122.42 1x58 s SER 60 Ca 0.77 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 57.20 1x58 s SER 60 Cb -0.14 1.05 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1x58 s SER 60 CO 0.22 -0.01 0.72 -1.20 1.20 0.00 0.00 173.24 174.17 1x58 n SER 61 N 5.41 -4.83 -0.35 5.45 7.64 -1.26 -5.10 113.62 120.58 1x58 n SER 61 Ca -0.06 -1.12 0.15 0.00 1.01 0.00 0.00 58.87 58.85 1x58 n SER 61 Cb 0.56 -2.48 0.64 0.00 -1.01 0.00 0.00 64.21 61.92 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64