#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 3.95 0.22 1.61 0.01 -1.26 -5.11 113.70 113.12 1x58 s SER 2 Ca 0.00 -0.66 -0.08 0.00 1.31 0.00 0.00 55.95 56.52 1x58 s SER 2 Cb 0.00 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.66 1x58 s SER 2 CO 0.00 0.12 0.32 -0.94 0.41 0.00 0.00 173.24 173.15 1x58 s SER 3 N -2.68 0.02 0.23 2.44 1.04 -1.26 -5.14 113.70 108.36 1x58 s SER 3 Ca 0.23 -1.09 -0.31 0.00 0.48 0.00 0.00 55.95 55.26 1x58 s SER 3 Cb -0.09 0.49 -0.11 0.00 0.10 0.00 0.00 66.02 66.41 1x58 s SER 3 CO 0.13 -0.99 1.56 -0.83 0.98 0.00 0.00 173.24 174.08 1x58 s GLY 4 N -3.06 1.91 0.24 7.32 0.00 -1.26 -4.98 107.32 107.48 1x58 s GLY 4 Ca 0.28 1.45 -0.07 0.00 0.00 0.00 0.00 44.72 46.37 1x58 s GLY 4 CO 0.09 2.54 0.44 1.44 0.00 0.00 0.00 173.10 177.60 1x58 n SER 5 N 2.94 -1.28 -3.89 1.64 7.64 -1.26 -5.14 113.62 114.27 1x58 n SER 5 Ca 0.10 -2.02 -0.30 0.00 1.01 0.00 0.00 58.87 57.67 1x58 n SER 5 Cb 0.38 2.17 0.27 0.00 -1.01 0.00 0.00 64.21 66.02 1x58 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x58 s SER 6 N -2.28 -0.06 0.00 6.43 1.04 -1.26 -4.64 113.70 112.92 1x58 s SER 6 Ca 0.12 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1x58 s SER 6 Cb -0.02 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1x58 s SER 6 CO 0.09 -4.78 0.00 0.61 0.98 0.00 0.00 173.24 170.14 1x58 n GLY 7 N 0.82 0.13 3.23 7.32 0.00 -1.26 -4.99 105.19 110.45 1x58 n GLY 7 Ca 0.09 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1x58 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x58 s ARG 8 N 0.00 1.05 0.00 1.61 0.52 -1.26 -4.84 118.95 116.03 1x58 s ARG 8 Ca 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1x58 s ARG 8 Cb 0.00 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.09 1x58 s ARG 8 CO 0.00 -0.04 0.00 0.36 0.02 0.00 0.00 175.30 175.64 1x58 n LYS 9 N -0.19 -0.27 0.00 3.54 2.85 -1.26 -4.59 118.16 118.23 1x58 n LYS 9 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1x58 n LYS 9 Cb 0.62 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x58 n ASP 10 N -1.97 0.00 -4.73 -5.58 8.00 -1.26 -4.87 116.55 106.14 1x58 n ASP 10 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1x58 n ASP 10 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1x58 n PHE 11 N 0.00 2.71 -1.33 1.24 3.01 -1.26 -5.01 117.46 116.82 1x58 n PHE 11 Ca 0.00 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.46 1x58 n PHE 11 Cb 0.00 -2.57 0.17 0.00 -0.01 0.00 0.00 39.48 37.07 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 -0.01 1.98 0.56 4.37 -4.23 -1.26 -4.83 115.64 112.21 1x58 s THR 12 Ca 0.65 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.41 1x58 s THR 12 Cb -0.53 -2.61 0.36 0.00 1.34 0.00 0.00 72.50 71.06 1x58 s THR 12 CO 0.49 0.00 2.06 0.50 -0.54 0.00 0.00 174.62 177.13 1x58 h LYS 13 N -1.79 0.00 0.35 3.99 3.64 -1.95 -1.24 116.57 119.57 1x58 h LYS 13 Ca -0.52 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1x58 h LYS 13 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1x58 h LYS 13 CO 0.58 0.00 -0.17 0.93 -2.27 0.00 0.00 179.45 178.52 1x58 h GLU 14 N 0.00 -0.46 -0.48 1.90 4.39 -1.95 -2.62 114.58 115.37 1x58 h GLU 14 Ca 0.14 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1x58 h GLU 14 Cb 0.62 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1x58 h GLU 14 CO -0.00 -0.14 0.32 0.93 -1.16 0.00 0.00 179.01 178.96 1x58 h GLU 15 N -0.91 0.57 -0.59 2.33 5.08 -1.74 0.53 114.58 119.85 1x58 h GLU 15 Ca -0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1x58 h GLU 15 Cb 0.53 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1x58 h GLU 15 CO 0.08 0.37 -0.02 0.28 -1.00 0.00 0.00 179.01 178.72 1x58 h VAL 16 N 0.58 1.27 -0.33 3.13 2.07 -1.32 0.30 116.25 121.94 1x58 h VAL 16 Ca 0.19 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1x58 h VAL 16 Cb 0.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1x58 h VAL 16 CO -0.04 0.43 0.06 0.78 0.02 0.00 0.00 177.57 178.81 1x58 h ASN 17 N 0.95 0.52 -0.77 0.57 4.21 -0.71 -2.40 115.58 117.95 1x58 h ASN 17 Ca 0.16 -0.25 0.01 0.00 1.21 0.00 0.00 56.30 57.43 1x58 h ASN 17 Cb 0.59 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.61 1x58 h ASN 17 CO 0.03 0.64 0.50 1.88 -1.29 0.00 0.00 177.43 179.20 1x58 h TYR 18 N 0.38 0.98 0.17 1.19 0.05 -0.78 0.19 116.97 119.16 1x58 h TYR 18 Ca 0.10 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.92 1x58 h TYR 18 Cb 0.34 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.71 1x58 h TYR 18 CO 0.02 0.63 -0.38 1.25 -1.05 0.00 0.00 178.16 178.62 1x58 h LEU 19 N 1.05 -1.11 -1.03 3.88 7.12 -0.80 0.23 115.31 124.65 1x58 h LEU 19 Ca 0.28 0.12 -0.10 0.00 0.13 0.00 0.00 57.88 58.31 1x58 h LEU 19 Cb -0.11 0.41 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1x58 h LEU 19 CO -0.06 -0.48 -0.48 -0.26 -0.13 0.00 0.00 178.44 177.03 1x58 h PHE 20 N -0.65 0.00 0.81 1.25 0.04 -0.75 0.37 116.94 118.01 1x58 h PHE 20 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1x58 h PHE 20 Cb 0.66 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.81 1x58 h PHE 20 CO -0.31 0.48 -0.39 0.45 -0.60 0.00 0.00 178.31 177.94 1x58 h HIS 21 N 0.00 -1.00 -0.25 -0.55 3.86 -0.50 -2.61 115.15 114.10 1x58 h HIS 21 Ca -0.00 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1x58 h HIS 21 Cb 0.85 0.33 -0.07 0.00 1.06 0.00 0.00 27.41 29.59 1x58 h HIS 21 CO 0.00 -0.61 -0.50 0.78 0.86 0.00 0.00 177.93 178.46 1x58 h GLY 22 N -1.16 -1.12 2.00 2.45 0.00 -0.70 -1.76 103.07 102.78 1x58 h GLY 22 Ca -0.11 0.71 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 1x58 h GLY 22 CO 0.18 -0.21 -0.00 -2.08 0.00 0.00 0.00 176.54 174.44 1x58 h VAL 23 N -0.45 0.00 0.07 4.60 2.07 -1.00 0.28 116.25 121.82 1x58 h VAL 23 Ca 0.05 -0.17 -0.27 0.00 0.82 0.00 0.00 66.70 67.13 1x58 h VAL 23 Cb 0.58 1.17 0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1x58 h VAL 23 CO -0.47 0.00 -1.10 0.50 0.02 0.00 0.00 177.57 176.53 1x58 h LYS 24 N 0.00 0.62 0.00 1.57 3.11 -0.92 -2.48 116.57 118.48 1x58 h LYS 24 Ca -0.00 -0.76 0.00 0.00 -2.81 0.00 0.00 60.65 57.08 1x58 h LYS 24 Cb 0.17 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1x58 h LYS 24 CO 0.00 1.33 -1.57 -2.37 -2.81 0.00 0.00 179.45 174.03 1x58 n THR 25 N -3.87 0.26 0.10 1.00 5.66 -0.68 -4.41 114.28 112.33 1x58 n THR 25 Ca -0.12 -0.52 0.01 0.00 -3.05 0.00 0.00 64.05 60.37 1x58 n THR 25 Cb 0.91 -0.13 0.01 0.00 -1.55 0.00 0.00 70.33 69.57 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 -2.43 -0.50 0.00 1.09 2.81 0.90 -5.07 117.12 113.92 1x58 n MET 26 Ca -0.02 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 1x58 n MET 26 Cb 0.56 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.13 0.84 0.41 3.03 0.00 -0.93 -2.04 105.19 106.62 1x58 n GLY 27 Ca 0.02 0.65 0.05 0.00 0.00 0.00 0.00 46.02 46.73 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 6.93 2.70 -4.55 1.61 4.13 -1.26 -4.43 115.26 120.39 1x58 n ASN 28 Ca 0.00 -2.26 -0.39 0.00 1.68 0.00 0.00 54.58 53.61 1x58 n ASN 28 Cb 0.00 -0.22 -0.03 0.00 -1.54 0.00 0.00 39.78 37.99 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 -1.46 2.15 -0.10 3.10 3.76 -0.87 -4.87 115.29 117.01 1x58 s HIS 29 Ca 0.19 0.05 -0.23 0.00 -0.15 0.00 0.00 55.06 54.92 1x58 s HIS 29 Cb 0.13 -4.48 -0.28 0.00 1.11 0.00 0.00 32.58 29.06 1x58 s HIS 29 CO 0.08 -2.09 0.75 -1.49 -0.85 0.00 0.00 174.74 171.15 1x58 h TRP 30 N 11.17 0.31 -0.64 1.40 4.06 -1.90 -3.19 115.95 127.16 1x58 h TRP 30 Ca -0.17 -0.23 0.09 0.00 2.06 0.00 0.00 58.89 60.64 1x58 h TRP 30 Cb 1.07 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 29.15 1x58 h TRP 30 CO 1.14 1.26 0.29 -0.91 -3.56 0.00 0.00 178.44 176.66 1x58 h ASN 31 N -0.61 0.35 -0.25 -3.49 4.21 -1.89 -1.26 115.58 112.63 1x58 h ASN 31 Ca -0.14 0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.47 1x58 h ASN 31 Cb 1.43 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 38.61 1x58 h ASN 31 CO 0.06 0.21 0.06 0.28 -1.29 0.00 0.00 177.43 176.75 1x58 h SER 32 N 0.51 0.05 -0.49 5.81 0.02 -1.99 -2.63 113.55 114.81 1x58 h SER 32 Ca 0.31 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1x58 h SER 32 Cb 0.34 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1x58 h SER 32 CO -0.27 0.06 0.31 0.40 -1.14 0.00 0.00 176.83 176.19 1x58 h ILE 33 N 0.17 1.08 -0.12 3.27 2.04 -1.31 0.24 117.51 122.87 1x58 h ILE 33 Ca 0.11 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1x58 h ILE 33 Cb 0.10 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1x58 h ILE 33 CO -0.13 0.11 0.18 0.25 0.00 0.00 0.00 178.15 178.56 1x58 h LEU 34 N 0.62 0.00 0.00 1.44 6.46 -0.89 -2.06 115.31 120.88 1x58 h LEU 34 Ca 0.19 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1x58 h LEU 34 Cb -0.02 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1x58 h LEU 34 CO -0.07 0.00 -1.54 0.79 -0.62 0.00 0.00 178.44 177.00 1x58 n TRP 35 N -3.56 0.00 0.26 1.25 8.01 -1.06 -4.56 117.44 117.78 1x58 n TRP 35 Ca 0.00 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.34 1x58 n TRP 35 Cb 0.29 -0.39 0.66 0.00 -2.01 0.00 0.00 31.31 29.86 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 -3.10 -0.99 0.87 0.04 -3.43 113.55 106.93 1x58 h SER 36 Ca -0.21 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.76 1x58 h SER 36 Cb 1.45 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.24 1x58 h SER 36 CO 0.01 0.10 -0.79 -0.36 -0.53 0.00 0.00 176.83 175.26 1x58 s PHE 37 N -3.80 2.12 -0.41 2.24 0.40 -0.83 -5.05 117.98 112.66 1x58 s PHE 37 Ca -0.00 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.64 1x58 s PHE 37 Cb 0.10 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1x58 s PHE 37 CO 0.57 0.49 1.42 -1.25 0.70 0.00 0.00 175.22 177.15 1x58 s PRO 38 N -2.93 3.58 0.39 0.24 0.04 -1.26 -4.81 135.00 130.25 1x58 s PRO 38 Ca 0.21 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.29 1x58 s PRO 38 Cb -0.06 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1x58 s PRO 38 CO 0.10 -1.56 0.22 -0.06 0.04 0.00 0.00 177.00 175.74 1x58 s PHE 39 N 5.43 2.68 1.02 0.56 0.08 -1.26 -4.82 117.98 121.67 1x58 s PHE 39 Ca 0.62 -0.49 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 1x58 s PHE 39 Cb -0.14 -1.90 0.13 0.00 -0.57 0.00 0.00 43.02 40.54 1x58 s PHE 39 CO 0.32 0.16 0.63 1.04 -0.10 0.00 0.00 175.22 177.28 1x58 n GLN 40 N -1.29 -0.99 -0.93 0.44 6.02 -1.26 -5.02 117.38 114.36 1x58 n GLN 40 Ca -0.01 -0.25 -0.31 0.00 -0.01 0.00 0.00 57.00 56.43 1x58 n GLN 40 Cb 0.63 -2.02 0.15 0.00 1.02 0.00 0.00 30.24 30.01 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 -4.00 1.28 0.00 -1.09 -0.14 -1.26 -3.97 119.74 110.56 1x58 s LYS 41 Ca 0.61 1.28 0.00 0.00 -1.36 0.00 0.00 55.97 56.50 1x58 s LYS 41 Cb -0.21 -1.78 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1x58 s LYS 41 CO 0.64 -2.36 0.00 0.41 -0.76 0.00 0.00 175.35 173.28 1x58 n GLY 42 N -0.37 2.07 3.65 -3.33 0.00 -1.26 -4.97 105.19 100.98 1x58 n GLY 42 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 0.72 0.33 1.61 1.81 -1.25 -5.08 118.95 117.09 1x58 s ARG 43 Ca 0.00 1.20 0.04 0.00 -1.72 0.00 0.00 55.73 55.25 1x58 s ARG 43 Cb 0.00 -1.72 -0.06 0.00 -0.45 0.00 0.00 34.95 32.72 1x58 s ARG 43 CO 0.00 -2.72 0.06 1.03 -0.68 0.00 0.00 175.30 172.99 1x58 s ARG 44 N -4.68 1.68 0.40 3.54 0.52 -1.26 -5.04 118.95 114.10 1x58 s ARG 44 Ca 0.66 -1.93 0.09 0.00 -0.52 0.00 0.00 55.73 54.03 1x58 s ARG 44 Cb -0.22 -0.88 0.87 0.00 0.52 0.00 0.00 34.95 35.24 1x58 s ARG 44 CO 0.59 -0.20 1.98 0.00 0.02 0.00 0.00 175.30 177.70 1x58 h ALA 45 N 2.09 1.82 -0.05 2.13 0.00 -1.93 -2.59 119.26 120.73 1x58 h ALA 45 Ca -0.41 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1x58 h ALA 45 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x58 h ALA 45 CO 0.70 0.07 -0.26 -0.39 0.00 0.00 0.00 179.25 179.36 1x58 h VAL 46 N 0.59 1.21 -0.88 0.00 -1.51 -1.96 -2.44 116.25 111.27 1x58 h VAL 46 Ca 0.28 -1.00 0.07 0.00 -1.23 0.00 0.00 66.70 64.82 1x58 h VAL 46 Cb 0.33 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 1x58 h VAL 46 CO -0.09 0.29 0.57 0.44 -1.23 0.00 0.00 177.57 177.56 1x58 h ASP 47 N 0.09 0.84 -0.03 4.19 3.32 -1.87 0.14 116.42 123.11 1x58 h ASP 47 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1x58 h ASP 47 Cb 0.51 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x58 h ASP 47 CO 0.04 0.53 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.01 1x58 h LEU 48 N 0.95 0.05 0.24 1.55 3.38 -1.56 -0.75 115.31 119.17 1x58 h LEU 48 Ca 0.39 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1x58 h LEU 48 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x58 h LEU 48 CO -0.15 0.41 -0.16 0.00 0.09 0.00 0.00 178.44 178.64 1x58 h ALA 49 N 0.64 -0.37 -0.54 1.53 0.00 -1.36 -1.66 119.26 117.51 1x58 h ALA 49 Ca 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1x58 h ALA 49 Cb 0.39 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1x58 h ALA 49 CO 0.00 -0.72 0.17 0.45 0.00 0.00 0.00 179.25 179.15 1x58 h HIS 50 N -0.39 0.29 0.50 0.00 3.86 -0.72 0.17 115.15 118.87 1x58 h HIS 50 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1x58 h HIS 50 Cb 0.33 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1x58 h HIS 50 CO -0.10 0.06 -0.50 -0.22 0.86 0.00 0.00 177.93 178.04 1x58 h LYS 51 N 0.33 -0.96 -0.56 2.45 1.63 -0.87 -1.06 116.57 117.53 1x58 h LYS 51 Ca 0.27 0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1x58 h LYS 51 Cb 0.33 0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.11 1x58 h LYS 51 CO -0.29 -0.64 0.21 -0.92 -3.45 0.00 0.00 179.45 174.36 1x58 h TYR 52 N -1.00 0.38 -0.30 1.91 3.20 -0.79 0.60 116.97 120.97 1x58 h TYR 52 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1x58 h TYR 52 Cb 0.87 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1x58 h TYR 52 CO -0.25 0.12 0.20 0.45 -1.64 0.00 0.00 178.16 177.03 1x58 h HIS 53 N 0.40 0.37 -0.92 -3.82 3.86 -0.59 -0.87 115.15 113.59 1x58 h HIS 53 Ca 0.27 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.57 1x58 h HIS 53 Cb 0.30 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 1x58 h HIS 53 CO -0.16 0.23 0.57 0.00 0.86 0.00 0.00 177.93 179.44 1x58 h ARG 54 N 0.40 0.98 0.00 2.45 2.47 -0.37 -1.20 114.38 119.11 1x58 h ARG 54 Ca 0.11 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1x58 h ARG 54 Cb -0.04 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.06 1x58 h ARG 54 CO -0.03 0.65 0.00 1.28 0.56 0.00 0.00 179.97 182.43 1x58 n LEU 55 N -4.60 0.00 -0.00 3.04 4.77 0.13 -2.06 117.00 118.27 1x58 n LEU 55 Ca 0.14 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 1x58 n LEU 55 Cb 0.22 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1x58 n LEU 55 CO 0.30 -0.09 -0.18 2.30 -1.33 0.00 0.00 177.39 178.38 1x58 n ILE 56 N -1.35 0.00 -1.36 -0.08 -5.35 -0.46 -4.61 119.36 106.15 1x58 n ILE 56 Ca 0.09 -0.18 -0.40 0.00 -0.27 0.00 0.00 62.75 61.98 1x58 n ILE 56 Cb 0.20 0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 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 -1.53 3.82 0.00 7.28 7.64 -0.50 -4.81 113.62 125.52 1x58 n SER 57 Ca 0.02 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1x58 n SER 57 Cb 0.28 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1x58 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 58 N 4.20 4.33 0.13 0.23 0.00 -1.26 -4.92 105.19 107.90 1x58 n GLY 58 Ca 0.53 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1x58 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 h PRO 59 N 0.00 0.18 -1.20 1.61 0.13 -1.91 -3.45 132.00 127.36 1x58 h PRO 59 Ca 0.00 -0.18 0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1x58 h PRO 59 Cb 0.00 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 30.94 1x58 h PRO 59 CO 0.00 0.91 0.22 0.45 -0.23 0.00 0.00 178.00 179.35 1x58 s SER 60 N -6.91 -0.62 -0.50 1.44 0.15 -1.26 -4.94 113.70 101.07 1x58 s SER 60 Ca -0.03 0.87 0.04 0.00 0.70 0.00 0.00 55.95 57.53 1x58 s SER 60 Cb 0.10 1.63 0.13 0.00 -1.71 0.00 0.00 66.02 66.18 1x58 s SER 60 CO 0.82 -0.12 0.25 -0.44 1.20 0.00 0.00 173.24 174.94 1x58 s SER 61 N 2.29 4.22 0.00 5.45 0.01 -1.26 -5.21 113.70 119.20 1x58 s SER 61 Ca -0.04 -2.91 0.00 0.00 1.31 0.00 0.00 55.95 54.31 1x58 s SER 61 Cb -0.06 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1x58 s SER 61 CO -0.17 -0.24 0.08 0.61 0.41 0.00 0.00 173.24 173.92