#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 -6.68 -2.52 1.61 7.64 -1.26 -4.49 113.62 107.92 1x58 n SER 2 Ca 0.00 0.61 -0.04 0.00 1.01 0.00 0.00 58.87 60.45 1x58 n SER 2 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 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 1.80 -6.72 -4.91 6.43 7.64 -1.26 -5.06 113.62 111.55 1x58 n SER 3 Ca 0.00 0.73 -0.27 0.00 1.01 0.00 0.00 58.87 60.33 1x58 n SER 3 Cb 0.27 -4.45 0.04 0.00 -1.01 0.00 0.00 64.21 59.06 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 -1.85 1.62 -0.37 0.23 0.00 -1.26 -5.06 107.32 100.61 1x58 s GLY 4 Ca 0.11 -0.65 0.13 0.00 0.00 0.00 0.00 44.72 44.31 1x58 s GLY 4 CO 0.61 -0.34 0.78 1.44 0.00 0.00 0.00 173.10 175.59 1x58 n SER 5 N -2.69 1.17 -4.49 1.64 7.64 -1.26 -5.12 113.62 110.51 1x58 n SER 5 Ca 0.05 -3.00 -0.32 0.00 1.01 0.00 0.00 58.87 56.61 1x58 n SER 5 Cb 0.58 -0.60 0.16 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.18 -1.28 -2.30 6.43 7.64 -1.26 -5.00 113.62 118.04 1x58 n SER 6 Ca 0.23 0.26 -0.07 0.00 1.01 0.00 0.00 58.87 60.30 1x58 n SER 6 Cb 0.67 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.61 1x58 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 7 N 1.10 1.47 0.86 0.23 0.00 -1.26 -5.09 105.19 102.50 1x58 n GLY 7 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1x58 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x58 n ARG 8 N -0.39 0.00 -4.19 1.61 1.74 -1.26 -4.78 116.66 109.40 1x58 n ARG 8 Ca -0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 1x58 n ARG 8 Cb 0.42 -0.43 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1x58 n ARG 8 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x58 s LYS 9 N -1.71 0.54 -0.06 5.56 -0.14 -1.26 -4.81 119.74 117.85 1x58 s LYS 9 Ca 0.00 -0.39 -0.05 0.00 -1.36 0.00 0.00 55.97 54.17 1x58 s LYS 9 Cb 0.00 -0.48 0.02 0.00 -1.68 0.00 0.00 37.83 35.69 1x58 s LYS 9 CO 0.00 0.12 0.10 -3.47 -0.76 0.00 0.00 175.35 171.34 1x58 n ASP 10 N 2.50 -3.94 -2.26 2.83 2.03 -1.26 -4.92 116.55 111.52 1x58 n ASP 10 Ca -0.16 1.15 -0.01 0.00 0.52 0.00 0.00 54.79 56.30 1x58 n ASP 10 Cb 0.57 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1x58 n PHE 11 N 1.28 -2.46 -1.51 -0.67 3.01 -1.26 -5.02 117.46 110.83 1x58 n PHE 11 Ca -0.16 1.08 -0.33 0.00 1.01 0.00 0.00 57.45 59.04 1x58 n PHE 11 Cb 0.25 -3.08 0.08 0.00 -0.01 0.00 0.00 39.48 36.73 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 -1.13 2.72 0.36 4.37 -4.23 -1.26 -4.71 115.64 111.75 1x58 s THR 12 Ca 0.02 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 60.97 1x58 s THR 12 Cb -0.01 -2.84 0.34 0.00 1.34 0.00 0.00 72.50 71.33 1x58 s THR 12 CO 0.49 -0.21 1.84 0.50 -0.54 0.00 0.00 174.62 176.69 1x58 h LYS 13 N -0.30 0.60 0.09 3.99 3.64 -1.94 -0.81 116.57 121.84 1x58 h LYS 13 Ca -0.47 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1x58 h LYS 13 Cb 1.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1x58 h LYS 13 CO 0.51 0.40 -0.04 0.93 -2.27 0.00 0.00 179.45 178.97 1x58 h GLU 14 N 0.62 -0.12 0.00 1.90 3.07 -2.00 -2.20 114.58 115.85 1x58 h GLU 14 Ca 0.50 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 1x58 h GLU 14 Cb 0.94 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 1x58 h GLU 14 CO -0.25 -0.01 -0.15 0.93 -1.40 0.00 0.00 179.01 178.13 1x58 h GLU 15 N -0.20 0.00 -0.25 2.33 5.08 -1.56 -2.44 114.58 117.54 1x58 h GLU 15 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1x58 h GLU 15 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1x58 h GLU 15 CO 0.02 0.15 -0.39 0.28 -1.00 0.00 0.00 179.01 178.07 1x58 h VAL 16 N 0.00 1.30 0.04 3.13 2.07 -0.78 0.14 116.25 122.15 1x58 h VAL 16 Ca -0.00 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1x58 h VAL 16 Cb 0.30 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1x58 h VAL 16 CO 0.02 0.49 -0.51 -1.13 0.02 0.00 0.00 177.57 176.46 1x58 h ASN 17 N 0.47 -1.55 -0.00 0.57 -0.73 -0.91 -2.16 115.58 111.26 1x58 h ASN 17 Ca 0.04 0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1x58 h ASN 17 Cb 0.89 0.58 -0.01 0.00 0.27 0.00 0.00 38.32 40.05 1x58 h ASN 17 CO 0.08 -0.51 -0.04 1.88 -0.37 0.00 0.00 177.43 178.47 1x58 h TYR 18 N -0.66 0.13 0.79 0.67 0.05 -1.35 0.15 116.97 116.74 1x58 h TYR 18 Ca 0.01 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1x58 h TYR 18 Cb 0.70 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 38.40 1x58 h TYR 18 CO -0.49 0.18 -0.40 1.25 -1.05 0.00 0.00 178.16 177.65 1x58 h LEU 19 N 0.13 -0.96 -0.15 3.88 7.12 -0.64 0.48 115.31 125.17 1x58 h LEU 19 Ca 0.03 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1x58 h LEU 19 Cb 0.16 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1x58 h LEU 19 CO 0.01 -0.66 0.05 -0.26 -0.13 0.00 0.00 178.44 177.44 1x58 h PHE 20 N -1.09 0.25 -0.96 1.25 0.04 -0.99 -1.78 116.94 113.67 1x58 h PHE 20 Ca -0.11 -0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.75 1x58 h PHE 20 Cb 0.84 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.84 1x58 h PHE 20 CO 0.02 0.36 0.59 1.25 -0.60 0.00 0.00 178.31 179.93 1x58 h HIS 21 N 0.07 1.07 0.47 -0.55 2.76 -0.76 -1.68 115.15 116.53 1x58 h HIS 21 Ca 0.05 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1x58 h HIS 21 Cb 0.23 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1x58 h HIS 21 CO 0.00 0.44 -0.23 0.78 -1.30 0.00 0.00 177.93 177.62 1x58 h GLY 22 N 0.96 -0.66 1.19 5.26 0.00 -0.74 -3.27 103.07 105.81 1x58 h GLY 22 Ca 0.47 0.25 0.09 0.00 0.00 0.00 0.00 47.33 48.14 1x58 h GLY 22 CO -0.26 -0.24 0.33 -2.08 0.00 0.00 0.00 176.54 174.29 1x58 h VAL 23 N -0.96 0.88 -0.76 4.60 2.07 -0.86 0.25 116.25 121.47 1x58 h VAL 23 Ca -0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1x58 h VAL 23 Cb 0.59 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1x58 h VAL 23 CO 0.11 0.05 0.45 0.50 0.02 0.00 0.00 177.57 178.69 1x58 h LYS 24 N 0.25 1.03 0.03 1.57 3.11 -1.37 -0.17 116.57 121.02 1x58 h LYS 24 Ca 0.22 -0.10 -0.37 0.00 -2.81 0.00 0.00 60.65 57.59 1x58 h LYS 24 Cb 0.55 -0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 31.52 1x58 h LYS 24 CO -0.04 0.74 -2.12 -2.37 -2.81 0.00 0.00 179.45 172.85 1x58 n THR 25 N -4.49 1.58 0.21 1.00 5.66 -0.88 -4.33 114.28 113.04 1x58 n THR 25 Ca 0.07 -0.42 0.08 0.00 -3.05 0.00 0.00 64.05 60.73 1x58 n THR 25 Cb 0.06 -1.76 0.46 0.00 -1.55 0.00 0.00 70.33 67.55 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 -0.47 0.00 0.00 1.09 2.86 -1.03 -3.50 114.93 113.89 1x58 h MET 26 Ca -0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1x58 h MET 26 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1x58 h MET 26 CO -0.16 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.49 1x58 n GLY 27 N -0.08 0.33 0.00 8.32 0.00 -0.08 -4.23 105.19 109.46 1x58 n GLY 27 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.47 0.00 -4.55 1.61 3.02 -1.26 -4.35 115.26 107.26 1x58 n ASN 28 Ca 0.00 -1.17 -0.36 0.00 -0.03 0.00 0.00 54.58 53.02 1x58 n ASN 28 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.00 1.70 0.11 3.10 3.76 -1.26 -4.82 115.29 115.89 1x58 s HIS 29 Ca 0.05 0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 55.56 1x58 s HIS 29 Cb 0.02 -4.09 -0.10 0.00 1.11 0.00 0.00 32.58 29.52 1x58 s HIS 29 CO 0.03 -2.18 1.39 -1.49 -0.85 0.00 0.00 174.74 171.65 1x58 h TRP 30 N 14.07 1.02 -0.44 1.40 -0.00 -1.90 -2.61 115.95 127.49 1x58 h TRP 30 Ca -0.18 -0.36 0.04 0.00 -0.00 0.00 0.00 58.89 58.39 1x58 h TRP 30 Cb 1.13 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.16 30.05 1x58 h TRP 30 CO 1.08 1.17 0.21 -0.91 -0.00 0.00 0.00 178.44 179.99 1x58 h ASN 31 N 0.58 0.29 0.46 -3.49 4.21 -1.89 0.06 115.58 115.81 1x58 h ASN 31 Ca 0.02 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1x58 h ASN 31 Cb 1.09 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.24 1x58 h ASN 31 CO 0.11 0.21 -0.46 0.28 -1.29 0.00 0.00 177.43 176.28 1x58 h SER 32 N 0.42 -1.25 -0.49 5.81 0.02 -1.95 -3.17 113.55 112.94 1x58 h SER 32 Ca 0.19 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1x58 h SER 32 Cb 0.11 0.41 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 1x58 h SER 32 CO -0.14 -0.61 0.02 0.40 -1.14 0.00 0.00 176.83 175.36 1x58 h ILE 33 N -0.92 0.64 -0.01 3.27 2.04 -1.05 0.29 117.51 121.77 1x58 h ILE 33 Ca -0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1x58 h ILE 33 Cb 0.79 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1x58 h ILE 33 CO -0.05 0.02 0.01 0.25 0.00 0.00 0.00 178.15 178.39 1x58 h LEU 34 N 0.13 0.00 0.00 1.44 6.46 -0.99 -2.01 115.31 120.34 1x58 h LEU 34 Ca 0.25 0.00 -0.39 0.00 -0.12 0.00 0.00 57.88 57.62 1x58 h LEU 34 Cb 0.36 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1x58 h LEU 34 CO -0.39 0.00 -2.44 0.79 -0.62 0.00 0.00 178.44 175.78 1x58 n TRP 35 N -3.66 0.00 0.27 1.25 8.01 -0.71 -4.57 117.44 118.03 1x58 n TRP 35 Ca -0.03 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.29 1x58 n TRP 35 Cb 0.09 -0.97 0.63 0.00 -2.01 0.00 0.00 31.31 29.05 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 -0.13 0.00 -4.52 -0.99 0.87 0.07 -3.43 113.55 105.42 1x58 h SER 36 Ca -0.58 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 59.69 1x58 h SER 36 Cb 1.83 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.61 1x58 h SER 36 CO -0.13 0.00 -0.73 -0.36 -0.53 0.00 0.00 176.83 175.08 1x58 s PHE 37 N -3.54 0.94 -0.46 2.24 0.40 -0.80 -5.03 117.98 111.72 1x58 s PHE 37 Ca -0.00 -0.67 -0.28 0.00 -0.60 0.00 0.00 56.93 55.37 1x58 s PHE 37 Cb 0.08 -0.53 0.03 0.00 0.51 0.00 0.00 43.02 43.11 1x58 s PHE 37 CO 0.31 -0.05 1.09 -1.25 0.70 0.00 0.00 175.22 176.03 1x58 s PRO 38 N -2.72 3.72 0.27 0.24 0.04 -1.26 -4.75 135.00 130.53 1x58 s PRO 38 Ca 0.03 0.53 0.11 0.00 0.04 0.00 0.00 61.00 61.72 1x58 s PRO 38 Cb -0.03 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 1x58 s PRO 38 CO -0.01 -1.31 -0.16 -0.06 0.04 0.00 0.00 177.00 175.50 1x58 s PHE 39 N 4.26 2.39 0.49 0.56 0.08 -1.26 -4.85 117.98 119.65 1x58 s PHE 39 Ca 0.46 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.98 1x58 s PHE 39 Cb -0.08 -1.05 -0.08 0.00 -0.57 0.00 0.00 43.02 41.23 1x58 s PHE 39 CO 0.29 0.68 1.01 1.04 -0.10 0.00 0.00 175.22 178.14 1x58 n GLN 40 N -0.60 1.24 -1.81 0.44 6.02 -1.26 -4.92 117.38 116.49 1x58 n GLN 40 Ca -0.06 0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 56.97 1x58 n GLN 40 Cb 0.59 -2.12 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1x58 n GLN 40 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1x58 s LYS 41 N -2.31 4.15 0.00 -1.09 2.36 -1.26 -2.36 119.74 119.23 1x58 s LYS 41 Ca 0.68 2.53 0.00 0.00 -2.55 0.00 0.00 55.97 56.62 1x58 s LYS 41 Cb -0.49 -3.05 0.00 0.00 -1.05 0.00 0.00 37.83 33.23 1x58 s LYS 41 CO 0.53 -0.62 0.00 0.41 1.55 0.00 0.00 175.35 177.22 1x58 n GLY 42 N 2.63 0.89 3.72 5.54 0.00 -1.26 -5.06 105.19 111.66 1x58 n GLY 42 Ca 0.10 0.00 -0.35 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 -0.69 2.13 0.41 1.61 1.81 -1.00 -5.07 118.95 118.16 1x58 s ARG 43 Ca 0.00 1.83 0.04 0.00 -1.72 0.00 0.00 55.73 55.88 1x58 s ARG 43 Cb 0.00 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 1x58 s ARG 43 CO 0.00 -1.86 0.05 1.03 -0.68 0.00 0.00 175.30 173.84 1x58 s ARG 44 N -3.82 1.92 0.43 3.54 0.52 -1.26 -5.03 118.95 115.24 1x58 s ARG 44 Ca 0.76 -2.14 0.11 0.00 -0.52 0.00 0.00 55.73 53.94 1x58 s ARG 44 Cb -0.31 -1.12 0.98 0.00 0.52 0.00 0.00 34.95 35.02 1x58 s ARG 44 CO 0.45 -0.28 2.04 0.00 0.02 0.00 0.00 175.30 177.53 1x58 h ALA 45 N 1.77 1.87 -0.30 2.13 0.00 -1.95 -2.29 119.26 120.49 1x58 h ALA 45 Ca -0.41 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1x58 h ALA 45 Cb 1.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x58 h ALA 45 CO 0.70 0.07 -0.01 -0.39 0.00 0.00 0.00 179.25 179.61 1x58 h VAL 46 N 0.43 1.19 -0.90 0.00 -1.51 -1.96 -2.46 116.25 111.03 1x58 h VAL 46 Ca 0.18 -0.75 0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1x58 h VAL 46 Cb 0.19 0.98 -0.05 0.00 -2.13 0.00 0.00 31.29 30.28 1x58 h VAL 46 CO -0.05 0.25 0.59 0.44 -1.23 0.00 0.00 177.57 177.58 1x58 h ASP 47 N 0.44 0.99 0.17 4.19 5.19 -1.81 0.15 116.42 125.74 1x58 h ASP 47 Ca 0.10 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1x58 h ASP 47 Cb 0.32 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1x58 h ASP 47 CO 0.01 0.68 -0.08 -0.07 -3.12 0.00 0.00 179.24 176.66 1x58 h LEU 48 N 1.15 -0.20 -0.58 1.55 3.38 -1.53 -1.41 115.31 117.68 1x58 h LEU 48 Ca 0.35 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1x58 h LEU 48 Cb -0.02 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1x58 h LEU 48 CO -0.11 -0.00 0.30 0.00 0.09 0.00 0.00 178.44 178.72 1x58 h ALA 49 N 0.41 0.75 0.37 1.53 0.00 -1.19 -1.08 119.26 120.06 1x58 h ALA 49 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x58 h ALA 49 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x58 h ALA 49 CO 0.04 -0.04 -0.18 1.25 0.00 0.00 0.00 179.25 180.32 1x58 h HIS 50 N 0.57 -0.45 -0.49 0.00 6.17 -0.63 -2.27 115.15 118.05 1x58 h HIS 50 Ca 0.26 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.32 1x58 h HIS 50 Cb 0.17 0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.23 1x58 h HIS 50 CO -0.10 -0.18 0.28 -0.22 0.71 0.00 0.00 177.93 178.42 1x58 h LYS 51 N -0.67 0.67 0.24 5.26 1.63 -1.09 -2.25 116.57 120.36 1x58 h LYS 51 Ca -0.05 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1x58 h LYS 51 Cb 0.48 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1x58 h LYS 51 CO 0.08 0.51 -0.27 -0.92 -3.45 0.00 0.00 179.45 175.40 1x58 h TYR 52 N 0.65 -0.71 -0.40 1.91 3.20 -1.16 0.33 116.97 120.80 1x58 h TYR 52 Ca 0.17 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1x58 h TYR 52 Cb 0.02 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.49 1x58 h TYR 52 CO -0.02 -0.38 -0.12 0.45 -1.64 0.00 0.00 178.16 176.45 1x58 h HIS 53 N -0.55 -0.26 -0.54 -3.82 3.86 -1.33 -0.08 115.15 112.44 1x58 h HIS 53 Ca -0.00 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1x58 h HIS 53 Cb 0.52 0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 1x58 h HIS 53 CO -0.19 -0.19 0.26 -0.09 0.86 0.00 0.00 177.93 178.58 1x58 h ARG 54 N -0.02 0.48 0.53 2.45 2.43 -1.00 -0.39 114.38 118.86 1x58 h ARG 54 Ca 0.19 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1x58 h ARG 54 Cb 0.32 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1x58 h ARG 54 CO -0.42 0.32 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.03 1x58 h LEU 55 N 0.50 -0.60 -0.78 3.80 3.38 0.83 -2.20 115.31 120.23 1x58 h LEU 55 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1x58 h LEU 55 Cb 0.18 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1x58 h LEU 55 CO -0.19 -0.32 0.00 2.30 0.09 0.00 0.00 178.44 180.33 1x58 n ILE 56 N -5.33 1.19 -1.36 1.22 -5.35 -0.16 -4.85 119.36 104.72 1x58 n ILE 56 Ca -0.12 0.51 -0.12 0.00 -0.27 0.00 0.00 62.75 62.74 1x58 n ILE 56 Cb 0.32 -1.46 -0.05 0.00 -1.74 0.00 0.00 39.64 36.71 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 -2.00 -4.55 -4.65 7.28 7.64 -0.16 -5.00 113.62 112.18 1x58 n SER 57 Ca 0.00 0.31 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1x58 n SER 57 Cb 0.09 -3.15 0.18 0.00 -1.01 0.00 0.00 64.21 60.32 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 -2.84 1.60 1.15 0.23 0.00 -1.18 -5.02 107.32 101.25 1x58 s GLY 58 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.49 1x58 s GLY 58 CO 0.00 0.50 1.09 2.56 0.00 0.00 0.00 173.10 177.24 1x58 s PRO 59 N -4.79 -0.78 -0.27 2.90 0.04 -1.26 -4.74 135.00 126.09 1x58 s PRO 59 Ca 0.65 0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 1x58 s PRO 59 Cb -0.20 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1x58 s PRO 59 CO 0.59 -3.47 0.24 0.43 0.04 0.00 0.00 177.00 174.83 1x58 n SER 60 N -4.64 -1.91 -0.13 6.66 7.64 -1.26 -4.85 113.62 115.14 1x58 n SER 60 Ca 0.09 -0.28 -0.04 0.00 1.01 0.00 0.00 58.87 59.65 1x58 n SER 60 Cb 0.58 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 1x58 n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x58 h SER 61 N 0.59 0.02 0.00 6.43 0.87 -1.98 -3.55 113.55 115.93 1x58 h SER 61 Ca -0.24 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x58 h SER 61 Cb 0.54 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1x58 h SER 61 CO 0.13 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.08