#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 -2.95 -0.14 1.61 7.64 -1.26 -4.87 113.62 113.65 1x58 n SER 2 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1x58 n SER 2 Cb 0.00 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 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 1.14 -3.13 -0.18 6.43 7.64 -1.26 -5.04 113.62 119.22 1x58 n SER 3 Ca -0.23 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.67 1x58 n SER 3 Cb 0.36 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 4 N 0.00 -2.40 3.38 0.23 0.00 -1.26 -5.04 105.19 100.09 1x58 n GLY 4 Ca 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 1x58 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 s SER 5 N -4.80 -0.57 0.26 1.61 0.01 -1.26 -5.05 113.70 103.90 1x58 s SER 5 Ca 0.00 1.12 -0.04 0.00 1.31 0.00 0.00 55.95 58.34 1x58 s SER 5 Cb 0.00 1.31 -0.02 0.00 0.21 0.00 0.00 66.02 67.52 1x58 s SER 5 CO 0.00 -0.22 0.33 -0.44 0.41 0.00 0.00 173.24 173.32 1x58 s SER 6 N 2.13 0.40 0.21 2.44 0.01 -1.26 -5.19 113.70 112.44 1x58 s SER 6 Ca -0.06 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 55.91 1x58 s SER 6 Cb -0.10 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1x58 s SER 6 CO -0.15 -1.06 0.05 0.61 0.41 0.00 0.00 173.24 173.11 1x58 n GLY 7 N -0.41 3.73 1.71 3.44 0.00 -1.26 -5.03 105.19 107.37 1x58 n GLY 7 Ca 0.01 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.50 0.00 0.01 1.61 3.00 -1.26 -5.06 116.66 114.46 1x58 n ARG 8 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 1x58 n ARG 8 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x58 n LYS 9 N -2.76 0.00 -1.66 5.56 5.02 -1.26 -5.07 118.16 117.99 1x58 n LYS 9 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1x58 n LYS 9 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 -3.89 6.19 0.06 4.39 1.11 -1.26 -4.44 116.67 118.84 1x58 s ASP 10 Ca 0.00 2.46 0.00 0.00 0.18 0.00 0.00 52.55 55.19 1x58 s ASP 10 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1x58 s ASP 10 CO 0.00 -1.29 0.00 0.49 1.18 0.00 0.00 175.17 175.55 1x58 n PHE 11 N 8.62 -2.52 -1.35 4.23 3.01 -1.26 -4.96 117.46 123.23 1x58 n PHE 11 Ca 0.22 1.51 -0.34 0.00 1.01 0.00 0.00 57.45 59.85 1x58 n PHE 11 Cb 0.42 -2.91 0.10 0.00 -0.01 0.00 0.00 39.48 37.09 1x58 n PHE 11 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1x58 s THR 12 N -0.28 2.20 0.66 4.37 -1.32 -1.26 -4.78 115.64 115.22 1x58 s THR 12 Ca 0.00 0.10 0.41 0.00 -1.21 0.00 0.00 61.69 60.99 1x58 s THR 12 Cb 0.00 -2.65 0.42 0.00 -1.51 0.00 0.00 72.50 68.76 1x58 s THR 12 CO 0.00 -0.06 2.32 0.11 -2.21 0.00 0.00 174.62 174.78 1x58 h LYS 13 N -0.43 0.00 0.64 7.08 1.57 -1.98 -0.75 116.57 122.69 1x58 h LYS 13 Ca -0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1x58 h LYS 13 Cb 1.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.62 1x58 h LYS 13 CO 0.49 0.00 -0.31 0.93 -0.57 0.00 0.00 179.45 179.99 1x58 h GLU 14 N 0.00 -0.82 -0.59 3.15 5.08 -1.99 -1.86 114.58 117.55 1x58 h GLU 14 Ca 0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1x58 h GLU 14 Cb 0.07 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x58 h GLU 14 CO -0.00 -0.51 0.33 0.93 -1.00 0.00 0.00 179.01 178.77 1x58 h GLU 15 N -1.13 0.80 -0.74 2.33 3.07 -1.71 -1.44 114.58 115.77 1x58 h GLU 15 Ca -0.09 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.65 1x58 h GLU 15 Cb 0.69 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1x58 h GLU 15 CO 0.14 0.58 0.27 0.28 -1.40 0.00 0.00 179.01 178.88 1x58 h VAL 16 N 0.82 1.26 -0.37 3.13 2.07 -1.19 0.10 116.25 122.06 1x58 h VAL 16 Ca 0.21 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1x58 h VAL 16 Cb 0.00 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1x58 h VAL 16 CO -0.04 0.34 0.24 0.78 0.02 0.00 0.00 177.57 178.91 1x58 h ASN 17 N 1.09 0.42 0.08 0.57 2.35 -0.41 -1.63 115.58 118.05 1x58 h ASN 17 Ca 0.24 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1x58 h ASN 17 Cb 0.25 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1x58 h ASN 17 CO -0.01 0.30 -0.07 1.88 -1.65 0.00 0.00 177.43 177.87 1x58 h TYR 18 N 0.49 0.00 0.68 1.19 0.05 -0.89 0.98 116.97 119.47 1x58 h TYR 18 Ca 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1x58 h TYR 18 Cb -0.05 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.69 1x58 h TYR 18 CO -0.05 0.07 -0.33 1.25 -1.05 0.00 0.00 178.16 178.05 1x58 h LEU 19 N 0.00 -0.78 -1.28 3.88 7.12 -0.17 0.16 115.31 124.24 1x58 h LEU 19 Ca -0.00 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.94 1x58 h LEU 19 Cb 0.13 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1x58 h LEU 19 CO 0.01 -0.46 -0.14 -0.26 -0.13 0.00 0.00 178.44 177.46 1x58 h PHE 20 N -1.08 0.34 -0.40 1.25 0.04 -1.01 -0.50 116.94 115.57 1x58 h PHE 20 Ca -0.09 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1x58 h PHE 20 Cb 0.74 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 1x58 h PHE 20 CO -0.00 0.46 0.07 1.25 -0.60 0.00 0.00 178.31 179.48 1x58 h HIS 21 N 0.30 0.70 0.64 -0.55 2.76 -0.80 -2.40 115.15 115.80 1x58 h HIS 21 Ca 0.06 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1x58 h HIS 21 Cb 0.43 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.20 1x58 h HIS 21 CO 0.01 0.69 -0.31 0.78 -1.30 0.00 0.00 177.93 177.80 1x58 h GLY 22 N 0.51 -0.89 2.00 5.26 0.00 -0.04 -2.40 103.07 107.51 1x58 h GLY 22 Ca 0.12 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1x58 h GLY 22 CO 0.01 -0.33 -0.09 -2.08 0.00 0.00 0.00 176.54 174.06 1x58 h VAL 23 N -0.96 0.60 -0.45 4.60 2.07 -1.19 0.14 116.25 121.07 1x58 h VAL 23 Ca -0.09 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1x58 h VAL 23 Cb 0.69 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1x58 h VAL 23 CO 0.14 0.08 -0.24 0.50 0.02 0.00 0.00 177.57 178.08 1x58 h LYS 24 N 0.00 0.94 0.00 1.57 3.11 -1.17 -0.72 116.57 120.30 1x58 h LYS 24 Ca -0.00 -0.41 -0.29 0.00 -2.81 0.00 0.00 60.65 57.15 1x58 h LYS 24 Cb 0.22 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.37 1x58 h LYS 24 CO 0.01 1.07 -1.97 -2.37 -2.81 0.00 0.00 179.45 173.38 1x58 n THR 25 N -4.10 1.35 -0.04 1.00 5.66 -0.66 -4.54 114.28 112.95 1x58 n THR 25 Ca -0.00 -0.79 -0.01 0.00 -3.05 0.00 0.00 64.05 60.20 1x58 n THR 25 Cb 0.47 -0.68 -0.10 0.00 -1.55 0.00 0.00 70.33 68.47 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 -2.84 1.41 0.00 1.09 2.81 0.41 -5.10 117.12 114.89 1x58 n MET 26 Ca -0.22 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 1x58 n MET 26 Cb 1.03 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 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 2.06 -0.07 1.57 3.03 0.00 -0.28 -4.25 105.19 107.26 1x58 n GLY 27 Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.12 3.24 -4.17 1.61 3.02 -1.26 -4.44 115.26 112.13 1x58 n ASN 28 Ca 0.00 -1.82 -0.39 0.00 -0.03 0.00 0.00 54.58 52.34 1x58 n ASN 28 Cb 0.00 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 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 0.65 3.49 0.02 3.10 3.76 -1.26 -4.95 115.29 120.10 1x58 s HIS 29 Ca 0.00 -2.18 -0.13 0.00 -0.15 0.00 0.00 55.06 52.60 1x58 s HIS 29 Cb 0.00 -3.39 -0.33 0.00 1.11 0.00 0.00 32.58 29.96 1x58 s HIS 29 CO 0.00 -0.96 0.96 -1.49 -0.85 0.00 0.00 174.74 172.40 1x58 h TRP 30 N 8.06 0.84 -0.61 1.40 4.06 -1.91 -3.04 115.95 124.74 1x58 h TRP 30 Ca -0.14 -0.61 -0.02 0.00 2.06 0.00 0.00 58.89 60.18 1x58 h TRP 30 Cb 1.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 1x58 h TRP 30 CO 0.65 1.53 0.30 -0.97 -3.56 0.00 0.00 178.44 176.39 1x58 h ASN 31 N 0.13 0.80 0.38 -3.49 -1.24 -1.92 -0.83 115.58 109.40 1x58 h ASN 31 Ca -0.25 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 56.63 1x58 h ASN 31 Cb 2.12 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.94 1x58 h ASN 31 CO 0.24 0.71 -0.40 -1.28 -1.29 0.00 0.00 177.43 175.41 1x58 h SER 32 N 0.84 -1.08 -0.52 1.15 0.87 -2.00 -2.87 113.55 109.93 1x58 h SER 32 Ca 0.21 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.97 1x58 h SER 32 Cb 0.11 0.36 -0.11 0.00 -0.44 0.00 0.00 62.40 62.33 1x58 h SER 32 CO -0.03 -0.54 -0.23 0.40 -0.53 0.00 0.00 176.83 175.91 1x58 h ILE 33 N -0.80 0.32 -0.97 2.23 2.04 -1.33 0.29 117.51 119.29 1x58 h ILE 33 Ca -0.03 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.03 1x58 h ILE 33 Cb 0.72 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1x58 h ILE 33 CO -0.07 0.00 0.61 0.25 0.00 0.00 0.00 178.15 178.94 1x58 h LEU 34 N -0.11 0.64 0.18 1.44 6.46 -1.04 -1.51 115.31 121.38 1x58 h LEU 34 Ca 0.24 0.07 -0.35 0.00 -0.12 0.00 0.00 57.88 57.73 1x58 h LEU 34 Cb 0.48 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1x58 h LEU 34 CO -0.59 0.24 -1.75 -0.50 -0.62 0.00 0.00 178.44 175.22 1x58 h TRP 35 N 0.63 0.69 0.00 1.25 6.55 -1.03 -3.40 115.95 120.63 1x58 h TRP 35 Ca 0.54 -0.50 -0.00 0.00 0.95 0.00 0.00 58.89 59.87 1x58 h TRP 35 Cb 1.01 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1x58 h TRP 35 CO -0.00 1.68 -0.01 1.03 -1.05 0.00 0.00 178.44 180.09 1x58 h SER 36 N 0.08 0.00 -4.53 -3.49 0.87 0.61 -3.43 113.55 103.65 1x58 h SER 36 Ca -0.35 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.93 1x58 h SER 36 Cb 2.07 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.86 1x58 h SER 36 CO 0.16 0.01 -0.72 -0.36 -0.53 0.00 0.00 176.83 175.39 1x58 s PHE 37 N -4.08 0.93 -0.32 2.24 0.40 -1.10 -5.06 117.98 110.99 1x58 s PHE 37 Ca -0.03 -0.70 -0.28 0.00 -0.60 0.00 0.00 56.93 55.31 1x58 s PHE 37 Cb 0.12 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 43.11 1x58 s PHE 37 CO 0.47 -0.06 1.75 -1.25 0.70 0.00 0.00 175.22 176.83 1x58 s PRO 38 N -2.84 3.41 0.45 0.24 0.04 -1.26 -4.84 135.00 130.19 1x58 s PRO 38 Ca 0.04 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1x58 s PRO 38 Cb -0.02 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 1x58 s PRO 38 CO -0.01 -1.77 0.32 -0.06 0.04 0.00 0.00 177.00 175.51 1x58 s PHE 39 N 6.58 2.38 0.51 0.56 0.08 -1.26 -4.91 117.98 121.92 1x58 s PHE 39 Ca 0.78 -0.62 -0.22 0.00 0.12 0.00 0.00 56.93 56.99 1x58 s PHE 39 Cb -0.22 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.14 1x58 s PHE 39 CO 0.33 -0.11 1.24 -0.65 -0.10 0.00 0.00 175.22 175.93 1x58 s GLN 40 N -4.09 3.41 1.19 0.44 -0.21 -1.26 -5.04 119.66 114.11 1x58 s GLN 40 Ca 0.42 1.95 -0.16 0.00 0.02 0.00 0.00 55.36 57.58 1x58 s GLN 40 Cb -0.00 -2.28 0.28 0.00 1.00 0.00 0.00 33.01 32.01 1x58 s GLN 40 CO 0.24 -0.88 1.04 -1.59 -2.12 0.00 0.00 175.29 171.98 1x58 s LYS 41 N -2.87 -1.12 0.00 2.91 -2.85 -1.26 -3.65 119.74 110.89 1x58 s LYS 41 Ca 0.69 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 56.03 1x58 s LYS 41 Cb -0.33 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1x58 s LYS 41 CO 0.39 -3.74 0.00 0.41 0.10 0.00 0.00 175.35 172.51 1x58 n GLY 42 N 0.00 0.98 3.72 0.59 0.00 -1.26 -4.95 105.19 104.28 1x58 n GLY 42 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1x58 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x58 n ARG 43 N -1.80 2.52 -2.45 1.61 5.12 -1.24 -5.03 116.66 115.39 1x58 n ARG 43 Ca 0.00 0.90 -0.26 0.00 -1.93 0.00 0.00 57.85 56.56 1x58 n ARG 43 Cb 0.00 -2.65 0.03 0.00 -1.16 0.00 0.00 32.46 28.69 1x58 n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x58 s ARG 44 N -0.42 2.80 0.51 5.56 0.52 -1.26 -4.99 118.95 121.68 1x58 s ARG 44 Ca 0.66 -0.15 0.21 0.00 -0.52 0.00 0.00 55.73 55.92 1x58 s ARG 44 Cb -0.54 -2.30 1.34 0.00 0.52 0.00 0.00 34.95 33.97 1x58 s ARG 44 CO 0.48 -0.73 2.11 0.00 0.02 0.00 0.00 175.30 177.18 1x58 h ALA 45 N -0.16 1.65 0.00 2.13 0.00 -1.96 -2.89 119.26 118.04 1x58 h ALA 45 Ca -0.45 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1x58 h ALA 45 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x58 h ALA 45 CO 0.60 0.11 -0.28 -0.39 0.00 0.00 0.00 179.25 179.28 1x58 h VAL 46 N 0.00 0.98 -0.67 0.00 -1.51 -1.95 -2.73 116.25 110.37 1x58 h VAL 46 Ca -0.00 -1.05 0.12 0.00 -1.23 0.00 0.00 66.70 64.54 1x58 h VAL 46 Cb 0.17 1.61 -0.09 0.00 -2.13 0.00 0.00 31.29 30.85 1x58 h VAL 46 CO 0.01 0.28 0.22 0.44 -1.23 0.00 0.00 177.57 177.29 1x58 h ASP 47 N 0.00 0.16 -0.02 4.19 5.19 -1.91 0.17 116.42 124.19 1x58 h ASP 47 Ca -0.00 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1x58 h ASP 47 Cb 0.58 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 1x58 h ASP 47 CO 0.04 0.07 0.00 -0.07 -3.12 0.00 0.00 179.24 176.16 1x58 h LEU 48 N 0.36 0.04 -0.64 1.55 3.38 -1.67 -0.54 115.31 117.79 1x58 h LEU 48 Ca 0.36 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1x58 h LEU 48 Cb 0.53 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1x58 h LEU 48 CO -0.39 0.34 0.05 0.00 0.09 0.00 0.00 178.44 178.53 1x58 h ALA 49 N 0.71 0.86 0.08 1.53 0.00 -1.35 -0.57 119.26 120.52 1x58 h ALA 49 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x58 h ALA 49 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x58 h ALA 49 CO 0.00 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 1x58 h HIS 50 N 1.00 -0.10 -0.62 0.00 -0.00 -0.73 -2.51 115.15 112.19 1x58 h HIS 50 Ca 0.19 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.64 1x58 h HIS 50 Cb 0.50 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.88 1x58 h HIS 50 CO 0.04 0.30 0.28 -0.22 -0.00 0.00 0.00 177.93 178.33 1x58 h LYS 51 N -0.53 0.49 -0.33 5.26 1.63 -0.83 0.20 116.57 122.46 1x58 h LYS 51 Ca -0.01 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1x58 h LYS 51 Cb 0.45 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1x58 h LYS 51 CO 0.02 0.32 0.15 -0.92 -3.45 0.00 0.00 179.45 175.57 1x58 h TYR 52 N 0.50 0.28 -0.75 1.91 3.20 -1.17 0.22 116.97 121.16 1x58 h TYR 52 Ca 0.30 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.25 1x58 h TYR 52 Cb 0.31 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1x58 h TYR 52 CO -0.13 0.15 0.44 0.45 -1.64 0.00 0.00 178.16 177.42 1x58 h HIS 53 N 0.32 0.81 0.00 -3.82 3.86 -0.80 -1.34 115.15 114.17 1x58 h HIS 53 Ca 0.14 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1x58 h HIS 53 Cb 0.07 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1x58 h HIS 53 CO -0.11 0.40 -0.50 0.00 0.86 0.00 0.00 177.93 178.58 1x58 h ARG 54 N 0.80 0.00 0.62 2.45 2.47 -0.37 -0.12 114.38 120.24 1x58 h ARG 54 Ca 0.33 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.02 1x58 h ARG 54 Cb 0.18 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1x58 h ARG 54 CO -0.18 0.50 -0.30 -0.07 0.56 0.00 0.00 179.97 180.48 1x58 h LEU 55 N 0.00 -0.71 -0.47 3.04 3.38 0.10 -3.27 115.31 117.39 1x58 h LEU 55 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x58 h LEU 55 Cb 0.94 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1x58 h LEU 55 CO 0.06 -0.42 0.18 0.16 0.09 0.00 0.00 178.44 178.52 1x58 h ILE 56 N -0.97 1.21 -2.56 1.22 3.07 -1.22 -3.29 117.51 114.98 1x58 h ILE 56 Ca -0.09 -0.67 -0.75 0.00 1.55 0.00 0.00 64.86 64.90 1x58 h ILE 56 Cb 0.68 0.77 -0.20 0.00 -0.27 0.00 0.00 36.82 37.79 1x58 h ILE 56 CO 0.14 0.25 1.09 -0.55 -1.05 0.00 0.00 178.15 178.03 1x58 s SER 57 N -5.96 7.12 0.00 2.16 0.15 -0.06 -4.72 113.70 112.38 1x58 s SER 57 Ca -0.13 -3.11 0.00 0.00 0.70 0.00 0.00 55.95 53.41 1x58 s SER 57 Cb 0.11 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1x58 s SER 57 CO 0.77 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x58 n GLY 58 N 3.79 -0.50 3.57 9.45 0.00 -1.23 -4.57 105.19 115.70 1x58 n GLY 58 Ca 0.33 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1x58 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x58 s PRO 59 N 0.00 2.59 -0.07 1.61 0.04 -1.26 -4.83 135.00 133.09 1x58 s PRO 59 Ca 0.00 -0.65 -0.27 0.00 0.04 0.00 0.00 61.00 60.12 1x58 s PRO 59 Cb 0.00 -5.14 0.06 0.00 0.04 0.00 0.00 34.50 29.46 1x58 s PRO 59 CO 0.00 -3.54 0.61 -1.12 0.04 0.00 0.00 177.00 172.99 1x58 s SER 60 N 7.34 -0.57 -0.04 6.66 0.01 -1.26 -4.53 113.70 121.30 1x58 s SER 60 Ca 0.68 0.67 -0.30 0.00 1.31 0.00 0.00 55.95 58.31 1x58 s SER 60 Cb -0.04 0.59 0.11 0.00 0.21 0.00 0.00 66.02 66.89 1x58 s SER 60 CO 0.04 -0.53 1.05 -0.94 0.41 0.00 0.00 173.24 173.27 1x58 s SER 61 N -1.03 -0.22 0.00 2.44 1.04 -1.26 -5.10 113.70 109.56 1x58 s SER 61 Ca -0.10 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1x58 s SER 61 Cb -0.02 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x58 s SER 61 CO 0.08 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.40