#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 2.92 0.43 1.61 0.01 -1.26 -4.99 113.70 112.41 1x58 s SER 2 Ca 0.00 1.41 -0.25 0.00 1.31 0.00 0.00 55.95 58.42 1x58 s SER 2 Cb 0.00 -2.09 -0.08 0.00 0.21 0.00 0.00 66.02 64.06 1x58 s SER 2 CO 0.00 -2.98 1.31 -0.94 0.41 0.00 0.00 173.24 171.04 1x58 s SER 3 N -3.32 6.17 -0.04 2.44 1.04 -1.26 -4.93 113.70 113.80 1x58 s SER 3 Ca 0.65 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.74 1x58 s SER 3 Cb -0.19 -2.64 0.05 0.00 0.10 0.00 0.00 66.02 63.34 1x58 s SER 3 CO 0.58 -0.95 1.39 0.61 0.98 0.00 0.00 173.24 175.85 1x58 n GLY 4 N 0.64 2.40 0.30 7.32 0.00 -1.26 -4.64 105.19 109.96 1x58 n GLY 4 Ca 0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1x58 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x58 h SER 5 N 0.42 -0.65 -0.71 1.61 0.02 -1.98 -3.28 113.55 108.97 1x58 h SER 5 Ca 0.05 0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 60.42 1x58 h SER 5 Cb 1.10 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 1x58 h SER 5 CO 0.11 -0.45 2.03 -0.24 -1.14 0.00 0.00 176.83 177.14 1x58 n SER 6 N -4.04 4.45 0.00 3.07 2.88 -1.26 -4.23 113.62 114.49 1x58 n SER 6 Ca -0.09 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 1x58 n SER 6 Cb 0.30 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 1x58 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x58 n GLY 7 N 5.39 -1.64 4.94 0.46 0.00 -1.26 -5.06 105.19 108.03 1x58 n GLY 7 Ca 0.48 0.62 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 0.00 0.00 0.28 1.61 0.63 -1.22 -4.45 116.66 113.51 1x58 n ARG 8 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 1x58 n ARG 8 Cb 0.00 -0.32 -0.08 0.00 0.45 0.00 0.00 32.46 32.52 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 -0.70 0.00 -0.14 1.57 -1.94 -3.30 116.57 112.06 1x58 h LYS 9 Ca 0.00 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1x58 h LYS 9 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1x58 h LYS 9 CO 0.00 -0.40 -0.28 -0.44 -0.57 0.00 0.00 179.45 177.76 1x58 h ASP 10 N -1.00 0.00 -2.52 0.86 5.19 -2.02 -3.42 116.42 113.51 1x58 h ASP 10 Ca -0.07 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.03 1x58 h ASP 10 Cb 0.63 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 39.79 1x58 h ASP 10 CO 0.12 0.28 -0.62 -0.36 -3.12 0.00 0.00 179.24 175.55 1x58 s PHE 11 N -3.41 -0.30 0.97 4.55 0.40 -1.24 -4.90 117.98 114.04 1x58 s PHE 11 Ca 0.02 0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.49 1x58 s PHE 11 Cb 0.09 -0.34 0.17 0.00 0.51 0.00 0.00 43.02 43.45 1x58 s PHE 11 CO 0.67 -0.60 1.09 0.95 0.70 0.00 0.00 175.22 178.03 1x58 s THR 12 N 2.34 2.29 0.37 0.64 -4.23 -1.25 -3.45 115.64 112.34 1x58 s THR 12 Ca 0.07 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1x58 s THR 12 Cb -0.16 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.28 1x58 s THR 12 CO -0.12 -0.12 1.89 0.07 -0.54 0.00 0.00 174.62 175.79 1x58 h LYS 13 N -1.81 0.30 -0.15 3.99 -0.00 -1.92 -1.74 116.57 115.25 1x58 h LYS 13 Ca -0.53 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.65 60.01 1x58 h LYS 13 Cb 1.31 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 33.50 1x58 h LYS 13 CO 0.56 0.44 -0.04 0.93 -0.00 0.00 0.00 179.45 181.34 1x58 h GLU 14 N 0.29 0.29 -0.54 0.07 3.07 -1.99 -1.23 114.58 114.54 1x58 h GLU 14 Ca 0.06 -0.11 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1x58 h GLU 14 Cb 0.40 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 1x58 h GLU 14 CO 0.02 0.57 0.35 0.93 -1.40 0.00 0.00 179.01 179.49 1x58 h GLU 15 N -0.01 0.70 -0.91 2.33 5.08 -1.87 -1.02 114.58 118.88 1x58 h GLU 15 Ca 0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1x58 h GLU 15 Cb 0.47 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1x58 h GLU 15 CO 0.02 0.46 0.60 0.28 -1.00 0.00 0.00 179.01 179.37 1x58 h VAL 16 N 0.72 1.24 -0.02 3.13 2.07 -1.12 0.13 116.25 122.40 1x58 h VAL 16 Ca 0.20 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1x58 h VAL 16 Cb -0.07 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 1x58 h VAL 16 CO -0.05 0.23 0.01 -1.13 0.02 0.00 0.00 177.57 176.65 1x58 h ASN 17 N 1.24 0.02 -0.93 0.57 -1.24 -0.64 -2.06 115.58 112.54 1x58 h ASN 17 Ca 0.33 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.44 1x58 h ASN 17 Cb -0.14 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 38.83 1x58 h ASN 17 CO -0.07 0.03 0.57 1.88 -1.29 0.00 0.00 177.43 178.54 1x58 h TYR 18 N 0.02 1.04 -0.16 0.67 0.05 -0.79 -2.19 116.97 115.61 1x58 h TYR 18 Ca 0.01 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.86 1x58 h TYR 18 Cb 0.01 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.37 1x58 h TYR 18 CO -0.08 0.43 -0.14 1.25 -1.05 0.00 0.00 178.16 178.58 1x58 h LEU 19 N 0.94 -0.44 -0.19 3.88 7.12 -0.04 0.21 115.31 126.78 1x58 h LEU 19 Ca 0.45 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.54 1x58 h LEU 19 Cb 0.40 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1x58 h LEU 19 CO -0.25 -0.18 0.07 -0.26 -0.13 0.00 0.00 178.44 177.69 1x58 h PHE 20 N -0.15 0.29 -0.35 1.25 0.04 -1.30 -1.78 116.94 114.94 1x58 h PHE 20 Ca 0.10 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.91 1x58 h PHE 20 Cb 0.31 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 1x58 h PHE 20 CO -0.27 0.35 0.04 0.45 -0.60 0.00 0.00 178.31 178.28 1x58 h HIS 21 N 0.15 0.05 0.37 -0.55 3.86 -0.80 -2.15 115.15 116.08 1x58 h HIS 21 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1x58 h HIS 21 Cb 0.19 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1x58 h HIS 21 CO -0.01 -0.02 -0.35 0.78 0.86 0.00 0.00 177.93 179.20 1x58 h GLY 22 N 0.15 -0.82 2.00 2.45 0.00 -0.55 -2.48 103.07 103.82 1x58 h GLY 22 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1x58 h GLY 22 CO -0.25 -0.30 0.00 -2.08 0.00 0.00 0.00 176.54 173.91 1x58 h VAL 23 N -0.73 0.00 0.43 4.60 2.07 -1.03 0.23 116.25 121.81 1x58 h VAL 23 Ca -0.03 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1x58 h VAL 23 Cb 0.65 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1x58 h VAL 23 CO -0.05 0.00 -0.21 0.50 0.02 0.00 0.00 177.57 177.83 1x58 h LYS 24 N 0.00 -0.56 0.19 1.57 3.11 -0.91 -2.12 116.57 117.85 1x58 h LYS 24 Ca 0.00 0.04 -0.27 0.00 -2.81 0.00 0.00 60.65 57.61 1x58 h LYS 24 Cb 0.03 0.13 0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1x58 h LYS 24 CO 0.00 -0.26 -1.19 0.00 -2.81 0.00 0.00 179.45 175.19 1x58 h THR 25 N -0.99 1.35 0.00 1.00 1.03 -1.32 -3.34 112.91 110.64 1x58 h THR 25 Ca -0.06 -2.59 -0.14 0.00 -0.01 0.00 0.00 66.41 63.61 1x58 h THR 25 Cb 0.56 3.08 -0.02 0.00 -1.07 0.00 0.00 68.15 70.69 1x58 h THR 25 CO 0.10 0.76 -0.68 0.24 -0.01 0.00 0.00 175.52 175.93 1x58 h MET 26 N -0.13 0.00 0.00 0.00 2.86 -0.76 -3.50 114.93 113.41 1x58 h MET 26 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1x58 h MET 26 Cb 1.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1x58 h MET 26 CO 0.20 0.68 0.00 0.41 1.06 0.00 0.00 176.91 179.25 1x58 n GLY 27 N 0.96 2.11 0.00 8.32 0.00 -0.80 -3.71 105.19 112.07 1x58 n GLY 27 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.13 0.00 -4.55 1.61 4.13 -1.26 -4.36 115.26 110.69 1x58 n ASN 28 Ca 0.00 -1.20 -0.38 0.00 1.68 0.00 0.00 54.58 54.68 1x58 n ASN 28 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 -2.00 1.97 0.04 3.10 3.76 -1.24 -4.81 115.29 116.10 1x58 s HIS 29 Ca 0.10 0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 55.15 1x58 s HIS 29 Cb 0.04 -4.33 -0.16 0.00 1.11 0.00 0.00 32.58 29.24 1x58 s HIS 29 CO 0.07 -2.14 1.27 -1.49 -0.85 0.00 0.00 174.74 171.60 1x58 h TRP 30 N 12.41 0.54 -0.38 1.40 4.06 -1.89 -2.95 115.95 129.15 1x58 h TRP 30 Ca -0.20 -0.20 0.08 0.00 2.06 0.00 0.00 58.89 60.62 1x58 h TRP 30 Cb 1.09 -0.10 -0.09 0.00 -1.00 0.00 0.00 29.16 29.07 1x58 h TRP 30 CO 1.11 0.92 -0.30 -0.97 -3.56 0.00 0.00 178.44 175.64 1x58 h ASN 31 N 0.02 -0.98 -0.27 -3.49 -1.24 -1.87 -0.14 115.58 107.60 1x58 h ASN 31 Ca -0.00 0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.24 1x58 h ASN 31 Cb 0.90 0.47 -0.05 0.00 0.73 0.00 0.00 38.32 40.37 1x58 h ASN 31 CO 0.06 -0.30 -0.03 0.28 -1.29 0.00 0.00 177.43 176.15 1x58 h SER 32 N -0.24 -0.18 -0.11 1.15 0.02 -1.96 -1.96 113.55 110.27 1x58 h SER 32 Ca 0.17 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1x58 h SER 32 Cb 0.52 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1x58 h SER 32 CO -0.51 -0.06 -0.02 0.40 -1.14 0.00 0.00 176.83 175.50 1x58 h ILE 33 N 0.04 0.89 -0.44 3.27 2.04 -1.29 0.43 117.51 122.45 1x58 h ILE 33 Ca 0.13 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1x58 h ILE 33 Cb 0.18 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1x58 h ILE 33 CO -0.25 0.00 0.26 0.25 0.00 0.00 0.00 178.15 178.42 1x58 h LEU 34 N 0.01 0.52 -0.03 1.44 7.12 -0.52 0.39 115.31 124.24 1x58 h LEU 34 Ca 0.05 -0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 1x58 h LEU 34 Cb 0.08 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1x58 h LEU 34 CO -0.11 0.41 -0.17 -0.50 -0.13 0.00 0.00 178.44 177.94 1x58 h TRP 35 N 0.61 0.23 0.00 1.25 6.55 -1.25 -3.39 115.95 119.95 1x58 h TRP 35 Ca 0.16 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.87 1x58 h TRP 35 Cb -0.02 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 28.24 1x58 h TRP 35 CO 0.00 0.82 -0.12 1.03 -1.05 0.00 0.00 178.44 179.12 1x58 h SER 36 N -0.42 0.00 -4.59 -3.49 0.87 0.11 -3.43 113.55 102.60 1x58 h SER 36 Ca -0.01 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.22 1x58 h SER 36 Cb 0.84 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.58 1x58 h SER 36 CO 0.04 0.12 -0.75 -0.36 -0.53 0.00 0.00 176.83 175.34 1x58 s PHE 37 N -4.67 0.83 -0.46 2.24 0.40 -0.42 -5.06 117.98 110.84 1x58 s PHE 37 Ca -0.04 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 1x58 s PHE 37 Cb 0.16 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 43.23 1x58 s PHE 37 CO 0.66 -0.04 1.11 -1.25 0.70 0.00 0.00 175.22 176.41 1x58 s PRO 38 N -1.46 3.73 -0.29 0.24 0.04 -1.26 -4.70 135.00 131.30 1x58 s PRO 38 Ca -0.06 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 1x58 s PRO 38 Cb -0.09 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.58 1x58 s PRO 38 CO 0.01 -1.33 0.03 -0.06 0.04 0.00 0.00 177.00 175.69 1x58 s PHE 39 N 4.33 3.16 0.00 0.56 0.08 -1.26 -4.88 117.98 119.96 1x58 s PHE 39 Ca 0.47 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 56.17 1x58 s PHE 39 Cb -0.08 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 1x58 s PHE 39 CO 0.30 -0.68 0.00 1.04 -0.10 0.00 0.00 175.22 175.78 1x58 n GLN 40 N 4.76 0.00 -4.11 0.44 6.02 -1.26 -4.26 117.38 118.97 1x58 n GLN 40 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.62 1x58 n GLN 40 Cb 0.46 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.68 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 0.00 2.82 -1.11 -1.09 3.01 -1.26 -4.93 119.74 117.18 1x58 s LYS 41 Ca 0.00 -1.13 -0.01 0.00 -1.01 0.00 0.00 55.97 53.82 1x58 s LYS 41 Cb 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 37.83 34.32 1x58 s LYS 41 CO 0.00 0.36 0.93 0.41 0.51 0.00 0.00 175.35 177.56 1x58 n GLY 42 N -1.16 -0.30 3.88 -3.33 0.00 -1.26 -5.03 105.19 97.98 1x58 n GLY 42 Ca -0.07 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.33 2.78 0.28 1.61 1.81 -1.26 -5.15 118.95 113.69 1x58 s ARG 43 Ca 0.05 -1.26 0.10 0.00 -1.72 0.00 0.00 55.73 52.89 1x58 s ARG 43 Cb -0.02 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.89 1x58 s ARG 43 CO 0.67 0.06 -0.14 1.03 -0.68 0.00 0.00 175.30 176.23 1x58 s ARG 44 N -4.04 1.61 0.23 3.54 0.52 -1.26 -5.04 118.95 114.50 1x58 s ARG 44 Ca 0.42 -1.77 -0.07 0.00 -0.52 0.00 0.00 55.73 53.80 1x58 s ARG 44 Cb -0.06 -1.51 0.35 0.00 0.52 0.00 0.00 34.95 34.25 1x58 s ARG 44 CO 0.28 0.21 1.77 0.00 0.02 0.00 0.00 175.30 177.58 1x58 h ALA 45 N 2.29 0.98 0.00 2.13 0.00 -1.94 -2.18 119.26 120.54 1x58 h ALA 45 Ca -0.40 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1x58 h ALA 45 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x58 h ALA 45 CO 0.64 -0.09 -0.08 -0.39 0.00 0.00 0.00 179.25 179.33 1x58 h VAL 46 N 0.56 0.78 -0.88 0.00 -1.51 -1.96 -1.94 116.25 111.30 1x58 h VAL 46 Ca 0.36 -0.32 0.04 0.00 -1.23 0.00 0.00 66.70 65.55 1x58 h VAL 46 Cb 0.42 1.19 -0.05 0.00 -2.13 0.00 0.00 31.29 30.71 1x58 h VAL 46 CO -0.29 0.08 0.57 0.44 -1.23 0.00 0.00 177.57 177.13 1x58 h ASP 47 N 0.00 0.93 -0.51 4.19 3.32 -1.80 0.07 116.42 122.62 1x58 h ASP 47 Ca -0.00 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1x58 h ASP 47 Cb 0.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1x58 h ASP 47 CO 0.01 0.63 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.01 1x58 h LEU 48 N 1.09 0.98 0.30 1.55 3.38 -1.45 -0.96 115.31 120.19 1x58 h LEU 48 Ca 0.36 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1x58 h LEU 48 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1x58 h LEU 48 CO -0.13 1.08 -0.14 0.00 0.09 0.00 0.00 178.44 179.34 1x58 h ALA 49 N 1.01 -0.40 -0.32 1.53 0.00 -1.22 0.12 119.26 119.99 1x58 h ALA 49 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1x58 h ALA 49 Cb 0.63 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1x58 h ALA 49 CO 0.04 -0.57 -0.11 0.45 0.00 0.00 0.00 179.25 179.06 1x58 h HIS 50 N -0.70 -0.25 0.19 0.00 3.86 -1.04 -1.12 115.15 116.09 1x58 h HIS 50 Ca -0.04 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1x58 h HIS 50 Cb 0.48 0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 1x58 h HIS 50 CO 0.02 -0.17 -0.24 -0.22 0.86 0.00 0.00 177.93 178.18 1x58 h LYS 51 N -0.04 -0.46 -0.37 2.45 1.63 -1.03 -2.41 116.57 116.34 1x58 h LYS 51 Ca 0.16 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 1x58 h LYS 51 Cb 0.28 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.96 1x58 h LYS 51 CO -0.35 -0.31 0.04 -0.92 -3.45 0.00 0.00 179.45 174.46 1x58 h TYR 52 N -0.48 0.05 -0.37 1.91 3.20 -0.38 0.28 116.97 121.19 1x58 h TYR 52 Ca 0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1x58 h TYR 52 Cb 0.47 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1x58 h TYR 52 CO -0.19 -0.02 0.08 0.45 -1.64 0.00 0.00 178.16 176.84 1x58 h HIS 53 N 0.15 0.14 -0.37 -3.82 3.86 -1.11 -0.08 115.15 113.91 1x58 h HIS 53 Ca 0.18 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1x58 h HIS 53 Cb 0.23 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1x58 h HIS 53 CO -0.22 0.03 0.09 0.00 0.86 0.00 0.00 177.93 178.69 1x58 h ARG 54 N 0.21 0.54 -0.43 2.45 3.08 -0.75 0.12 114.38 119.60 1x58 h ARG 54 Ca 0.17 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1x58 h ARG 54 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1x58 h ARG 54 CO -0.22 0.50 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.86 1x58 h LEU 55 N 0.53 0.94 0.00 3.04 3.38 0.83 -2.79 115.31 121.24 1x58 h LEU 55 Ca 0.12 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1x58 h LEU 55 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1x58 h LEU 55 CO -0.00 1.14 -1.73 2.30 0.09 0.00 0.00 178.44 180.24 1x58 n ILE 56 N -4.10 1.12 -3.32 1.22 -5.35 -0.18 -4.61 119.36 104.15 1x58 n ILE 56 Ca -0.00 -0.71 -0.26 0.00 -0.27 0.00 0.00 62.75 61.51 1x58 n ILE 56 Cb 0.47 -0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.79 -0.01 -4.87 7.28 7.64 0.40 -5.09 113.62 116.18 1x58 n SER 57 Ca -0.15 -2.56 -0.34 0.00 1.01 0.00 0.00 58.87 56.83 1x58 n SER 57 Cb 0.89 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.59 2.34 -1.22 0.23 0.00 -1.05 -4.26 107.32 102.76 1x58 s GLY 58 Ca 0.34 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.58 1x58 s GLY 58 CO -0.16 -0.15 2.31 -1.55 0.00 0.00 0.00 173.10 173.55 1x58 n PRO 59 N 0.60 2.57 -1.03 2.90 -0.04 -1.26 -4.95 135.00 133.80 1x58 n PRO 59 Ca -0.05 -2.09 -0.31 0.00 -0.04 0.00 0.00 63.50 61.00 1x58 n PRO 59 Cb 0.52 -2.92 0.12 0.00 -0.04 0.00 0.00 33.50 31.19 1x58 n PRO 59 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x58 s SER 60 N 3.43 3.82 0.00 3.54 0.01 -1.26 -5.00 113.70 118.25 1x58 s SER 60 Ca 0.53 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1x58 s SER 60 Cb 0.14 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x58 s SER 60 CO -0.02 -2.49 0.40 -0.24 0.41 0.00 0.00 173.24 171.30 1x58 n SER 61 N -3.83 0.00 0.00 2.44 2.88 -1.26 -5.29 113.62 108.56 1x58 n SER 61 Ca 0.10 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1x58 n SER 61 Cb 0.53 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42