#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 -1.20 0.25 1.61 1.04 -1.26 -5.18 113.70 108.97 1x58 s SER 2 Ca 0.00 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1x58 s SER 2 Cb 0.00 1.87 -0.05 0.00 0.10 0.00 0.00 66.02 67.94 1x58 s SER 2 CO 0.00 -0.22 0.12 -0.55 0.98 0.00 0.00 173.24 173.57 1x58 s SER 3 N 2.88 0.99 0.00 7.02 0.15 -1.26 -5.17 113.70 118.31 1x58 s SER 3 Ca 0.15 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1x58 s SER 3 Cb -0.10 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1x58 s SER 3 CO -0.22 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1x58 n GLY 4 N -0.44 0.59 0.67 9.45 0.00 -1.26 -5.10 105.19 109.10 1x58 n GLY 4 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1x58 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x58 n SER 5 N 0.00 -0.23 -4.64 1.61 3.41 -1.26 -5.11 113.62 107.40 1x58 n SER 5 Ca 0.00 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 56.80 1x58 n SER 5 Cb 0.00 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1x58 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x58 s SER 6 N -0.42 6.95 -0.83 4.04 0.01 -1.26 -4.95 113.70 117.25 1x58 s SER 6 Ca 0.01 1.09 -0.03 0.00 1.31 0.00 0.00 55.95 58.34 1x58 s SER 6 Cb 0.01 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.91 1x58 s SER 6 CO -0.01 -0.82 2.32 0.61 0.41 0.00 0.00 173.24 175.75 1x58 n GLY 7 N 3.78 5.17 3.66 3.44 0.00 -1.26 -4.93 105.19 115.04 1x58 n GLY 7 Ca 0.11 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1x58 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x58 s ARG 8 N -2.79 1.76 -0.83 1.61 3.52 -1.26 -5.09 118.95 115.86 1x58 s ARG 8 Ca 0.53 -1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 54.61 1x58 s ARG 8 Cb 0.33 0.52 -0.20 0.00 -1.56 0.00 0.00 34.95 34.04 1x58 s ARG 8 CO -0.25 -0.76 2.36 0.36 -0.81 0.00 0.00 175.30 176.20 1x58 n LYS 9 N -0.45 0.40 -3.91 5.12 2.85 -1.26 -4.81 118.16 116.09 1x58 n LYS 9 Ca -0.03 -0.38 -0.12 0.00 -1.05 0.00 0.00 58.31 56.73 1x58 n LYS 9 Cb 0.61 -2.60 -0.00 0.00 -0.65 0.00 0.00 35.03 32.38 1x58 n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1x58 n ASP 10 N 13.41 -1.79 -4.75 -5.58 -0.08 -1.26 -5.15 116.55 111.34 1x58 n ASP 10 Ca 0.54 -2.78 -0.41 0.00 -1.51 0.00 0.00 54.79 50.63 1x58 n ASP 10 Cb 0.32 3.14 -0.04 0.00 2.34 0.00 0.00 41.12 46.88 1x58 n ASP 10 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1x58 s PHE 11 N -2.57 3.53 0.78 -0.67 0.40 -1.26 -5.05 117.98 113.14 1x58 s PHE 11 Ca 0.24 1.62 -0.11 0.00 -0.60 0.00 0.00 56.93 58.07 1x58 s PHE 11 Cb -0.03 -3.33 0.06 0.00 0.51 0.00 0.00 43.02 40.24 1x58 s PHE 11 CO 0.17 -0.74 1.11 -0.08 0.70 0.00 0.00 175.22 176.38 1x58 s THR 12 N -0.79 3.04 0.57 0.64 -1.32 -1.26 -4.88 115.64 111.63 1x58 s THR 12 Ca 0.47 0.37 0.27 0.00 -1.21 0.00 0.00 61.69 61.59 1x58 s THR 12 Cb -0.32 -2.79 0.37 0.00 -1.51 0.00 0.00 72.50 68.25 1x58 s THR 12 CO 0.40 -0.41 2.03 0.50 -2.21 0.00 0.00 174.62 174.93 1x58 h LYS 13 N -1.01 0.00 -0.19 7.08 3.64 -1.98 -1.54 116.57 122.56 1x58 h LYS 13 Ca -0.44 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 1x58 h LYS 13 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1x58 h LYS 13 CO 0.50 0.00 -0.05 0.93 -2.27 0.00 0.00 179.45 178.56 1x58 h GLU 14 N 0.00 0.37 -0.61 1.90 4.39 -1.99 -0.76 114.58 117.87 1x58 h GLU 14 Ca 0.15 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1x58 h GLU 14 Cb 0.76 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1x58 h GLU 14 CO -0.00 0.63 0.10 0.93 -1.16 0.00 0.00 179.01 179.50 1x58 h GLU 15 N 0.09 1.00 0.00 2.33 4.39 -1.66 -2.04 114.58 118.68 1x58 h GLU 15 Ca 0.05 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1x58 h GLU 15 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1x58 h GLU 15 CO 0.02 0.92 -0.27 0.28 -1.16 0.00 0.00 179.01 178.80 1x58 h VAL 16 N 0.94 0.94 0.75 3.13 2.07 -1.28 -0.15 116.25 122.65 1x58 h VAL 16 Ca 0.19 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1x58 h VAL 16 Cb 0.41 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1x58 h VAL 16 CO 0.01 0.26 -0.49 -1.13 0.02 0.00 0.00 177.57 176.24 1x58 h ASN 17 N 0.00 -1.26 0.02 0.57 -0.73 -0.43 -2.71 115.58 111.04 1x58 h ASN 17 Ca -0.00 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 1x58 h ASN 17 Cb 0.57 0.38 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1x58 h ASN 17 CO 0.03 -0.74 -0.03 1.88 -0.37 0.00 0.00 177.43 178.20 1x58 h TYR 18 N -1.17 0.05 0.79 0.67 0.05 -1.07 0.11 116.97 116.40 1x58 h TYR 18 Ca -0.10 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 1x58 h TYR 18 Cb 0.95 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1x58 h TYR 18 CO -0.13 0.09 -0.44 1.25 -1.05 0.00 0.00 178.16 177.88 1x58 h LEU 19 N 0.05 -1.09 -0.49 3.88 7.12 -0.89 0.10 115.31 124.00 1x58 h LEU 19 Ca 0.01 0.05 -0.17 0.00 0.13 0.00 0.00 57.88 57.91 1x58 h LEU 19 Cb 0.10 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 1x58 h LEU 19 CO 0.00 -0.70 -0.61 -0.26 -0.13 0.00 0.00 178.44 176.74 1x58 h PHE 20 N -1.14 0.63 -0.62 1.25 0.04 -1.19 -1.41 116.94 114.51 1x58 h PHE 20 Ca -0.10 -0.24 0.09 0.00 2.80 0.00 0.00 57.97 60.51 1x58 h PHE 20 Cb 0.90 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.87 1x58 h PHE 20 CO -0.07 0.98 0.27 1.25 -0.60 0.00 0.00 178.31 180.14 1x58 h HIS 21 N 0.36 0.48 0.46 -0.55 2.76 -0.71 -0.44 115.15 117.51 1x58 h HIS 21 Ca -0.01 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1x58 h HIS 21 Cb 1.16 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1x58 h HIS 21 CO 0.04 0.16 -0.22 0.78 -1.30 0.00 0.00 177.93 177.39 1x58 h GLY 22 N 0.48 -0.65 1.00 5.26 0.00 -0.69 -3.27 103.07 105.20 1x58 h GLY 22 Ca 0.31 0.24 0.13 0.00 0.00 0.00 0.00 47.33 48.01 1x58 h GLY 22 CO -0.27 -0.24 0.38 -2.08 0.00 0.00 0.00 176.54 174.33 1x58 h VAL 23 N -0.73 0.57 0.00 4.60 2.07 -1.04 0.23 116.25 121.95 1x58 h VAL 23 Ca -0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1x58 h VAL 23 Cb 0.48 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1x58 h VAL 23 CO 0.10 0.00 -0.34 0.50 0.02 0.00 0.00 177.57 177.85 1x58 h LYS 24 N 0.00 0.00 0.00 1.57 3.11 -1.13 -1.29 116.57 118.83 1x58 h LYS 24 Ca 0.21 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.88 1x58 h LYS 24 Cb 0.96 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 1x58 h LYS 24 CO -0.00 0.34 -1.41 -2.37 -2.81 0.00 0.00 179.45 173.19 1x58 n THR 25 N -4.09 1.50 0.25 1.00 5.66 -0.52 -4.76 114.28 113.31 1x58 n THR 25 Ca -0.02 -0.02 0.08 0.00 -3.05 0.00 0.00 64.05 61.04 1x58 n THR 25 Cb 0.38 -2.18 0.63 0.00 -1.55 0.00 0.00 70.33 67.61 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 -1.00 0.00 0.00 1.09 2.86 -0.61 -3.49 114.93 113.78 1x58 h MET 26 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1x58 h MET 26 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1x58 h MET 26 CO -0.15 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.29 1x58 n GLY 27 N -1.32 0.59 0.49 8.32 0.00 -0.49 -4.03 105.19 108.76 1x58 n GLY 27 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.19 0.80 -4.53 1.61 3.02 -1.26 -4.33 115.26 108.37 1x58 n ASN 28 Ca 0.00 -1.61 -0.41 0.00 -0.03 0.00 0.00 54.58 52.53 1x58 n ASN 28 Cb 0.00 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.01 2.42 -0.12 3.10 3.76 -1.26 -4.87 115.29 117.31 1x58 s HIS 29 Ca 0.00 -0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 1x58 s HIS 29 Cb 0.00 -4.58 -0.27 0.00 1.11 0.00 0.00 32.58 28.84 1x58 s HIS 29 CO 0.00 -1.97 0.72 -1.49 -0.85 0.00 0.00 174.74 171.15 1x58 h TRP 30 N 9.87 0.19 -0.69 1.40 4.06 -1.90 -2.24 115.95 126.65 1x58 h TRP 30 Ca -0.18 -0.14 0.04 0.00 2.06 0.00 0.00 58.89 60.67 1x58 h TRP 30 Cb 1.04 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 29.15 1x58 h TRP 30 CO 1.14 1.20 0.42 -0.91 -3.56 0.00 0.00 178.44 176.72 1x58 h ASN 31 N -0.76 0.67 -0.26 -3.49 2.35 -1.89 -1.11 115.58 111.09 1x58 h ASN 31 Ca -0.11 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1x58 h ASN 31 Cb 1.28 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.47 1x58 h ASN 31 CO 0.02 0.46 -0.06 0.28 -1.65 0.00 0.00 177.43 176.48 1x58 h SER 32 N 0.81 -0.23 -0.20 5.81 0.02 -1.97 -1.91 113.55 115.88 1x58 h SER 32 Ca 0.28 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1x58 h SER 32 Cb 0.06 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1x58 h SER 32 CO -0.13 -0.08 0.07 0.40 -1.14 0.00 0.00 176.83 175.96 1x58 h ILE 33 N 0.01 0.96 -0.90 3.27 2.04 -0.95 0.15 117.51 122.08 1x58 h ILE 33 Ca 0.12 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 66.08 1x58 h ILE 33 Cb 0.19 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1x58 h ILE 33 CO -0.26 0.03 0.58 0.25 0.00 0.00 0.00 178.15 178.75 1x58 h LEU 34 N 0.17 0.64 0.09 1.44 6.46 -0.62 -1.21 115.31 122.28 1x58 h LEU 34 Ca 0.08 0.04 -0.30 0.00 -0.12 0.00 0.00 57.88 57.59 1x58 h LEU 34 Cb 0.05 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1x58 h LEU 34 CO -0.08 0.31 -1.53 -0.50 -0.62 0.00 0.00 178.44 176.02 1x58 h TRP 35 N 0.67 0.34 -0.02 1.25 6.55 -1.06 -3.39 115.95 120.31 1x58 h TRP 35 Ca 0.46 -0.25 -0.11 0.00 0.95 0.00 0.00 58.89 59.94 1x58 h TRP 35 Cb 0.77 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.04 1x58 h TRP 35 CO -0.00 1.31 -0.49 1.03 -1.05 0.00 0.00 178.44 179.24 1x58 h SER 36 N 0.05 0.04 -3.64 -3.49 0.87 0.46 -3.45 113.55 104.39 1x58 h SER 36 Ca -0.24 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 59.77 1x58 h SER 36 Cb 1.99 -0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 63.76 1x58 h SER 36 CO 0.14 0.52 -0.79 -0.36 -0.53 0.00 0.00 176.83 175.82 1x58 s PHE 37 N -3.93 1.83 -0.18 2.24 0.40 -0.81 -5.07 117.98 112.45 1x58 s PHE 37 Ca -0.02 -0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 55.55 1x58 s PHE 37 Cb 0.13 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 1x58 s PHE 37 CO 0.75 0.31 1.45 -1.25 0.70 0.00 0.00 175.22 177.18 1x58 s PRO 38 N -2.65 4.05 0.20 0.24 0.04 -1.26 -4.80 135.00 130.82 1x58 s PRO 38 Ca 0.14 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.94 1x58 s PRO 38 Cb -0.06 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 1x58 s PRO 38 CO 0.06 -0.96 -0.09 -0.06 0.04 0.00 0.00 177.00 175.99 1x58 s PHE 39 N 4.21 1.55 0.05 0.56 0.08 -1.26 -4.91 117.98 118.27 1x58 s PHE 39 Ca 0.63 -0.74 -0.37 0.00 0.12 0.00 0.00 56.93 56.58 1x58 s PHE 39 Cb -0.24 -0.81 -0.17 0.00 -0.57 0.00 0.00 43.02 41.23 1x58 s PHE 39 CO 0.23 0.16 1.35 1.04 -0.10 0.00 0.00 175.22 177.90 1x58 n GLN 40 N -0.35 1.07 -1.60 0.44 6.02 -1.26 -4.91 117.38 116.79 1x58 n GLN 40 Ca -0.08 0.39 -0.37 0.00 -0.01 0.00 0.00 57.00 56.93 1x58 n GLN 40 Cb 0.62 -2.02 0.07 0.00 1.02 0.00 0.00 30.24 29.92 1x58 n GLN 40 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x58 n LYS 41 N 2.65 0.89 -0.85 -1.09 5.02 -1.26 -2.47 118.16 121.05 1x58 n LYS 41 Ca 0.19 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1x58 n LYS 41 Cb 0.18 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1x58 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x58 n GLY 42 N 1.05 0.38 3.38 0.72 0.00 -1.26 -5.00 105.19 104.46 1x58 n GLY 42 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.54 -0.91 -4.43 1.61 5.12 -1.03 -5.07 116.66 110.41 1x58 n ARG 43 Ca 0.00 -0.23 -0.23 0.00 -1.93 0.00 0.00 57.85 55.45 1x58 n ARG 43 Cb 0.11 -1.85 -0.10 0.00 -1.16 0.00 0.00 32.46 29.46 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 -3.68 1.56 0.54 5.56 0.52 -1.26 -5.03 118.95 117.17 1x58 s ARG 44 Ca 0.58 -1.66 0.27 0.00 -0.52 0.00 0.00 55.73 54.39 1x58 s ARG 44 Cb -0.18 -1.65 1.56 0.00 0.52 0.00 0.00 34.95 35.20 1x58 s ARG 44 CO 0.66 0.32 2.15 0.00 0.02 0.00 0.00 175.30 178.45 1x58 h ALA 45 N 2.57 1.47 -0.37 2.13 0.00 -1.95 -2.12 119.26 120.99 1x58 h ALA 45 Ca -0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1x58 h ALA 45 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1x58 h ALA 45 CO 0.57 0.09 0.03 -0.39 0.00 0.00 0.00 179.25 179.55 1x58 h VAL 46 N 0.00 1.20 -0.67 0.00 -1.51 -1.95 -2.63 116.25 110.68 1x58 h VAL 46 Ca -0.00 -0.75 0.08 0.00 -1.23 0.00 0.00 66.70 64.80 1x58 h VAL 46 Cb 0.17 0.88 -0.04 0.00 -2.13 0.00 0.00 31.29 30.17 1x58 h VAL 46 CO 0.01 0.26 0.44 0.44 -1.23 0.00 0.00 177.57 177.50 1x58 h ASP 47 N 0.54 0.53 0.28 4.19 5.19 -1.79 0.38 116.42 125.74 1x58 h ASP 47 Ca 0.12 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1x58 h ASP 47 Cb 0.30 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1x58 h ASP 47 CO 0.01 0.33 -0.13 -0.07 -3.12 0.00 0.00 179.24 176.25 1x58 h LEU 48 N 0.59 -0.32 -1.16 1.55 3.38 -1.60 0.21 115.31 117.96 1x58 h LEU 48 Ca 0.30 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1x58 h LEU 48 Cb 0.40 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1x58 h LEU 48 CO -0.10 0.02 0.58 0.00 0.09 0.00 0.00 178.44 179.03 1x58 h ALA 49 N -0.08 1.48 -0.02 1.53 0.00 -1.17 0.41 119.26 121.41 1x58 h ALA 49 Ca -0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1x58 h ALA 49 Cb 0.47 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x58 h ALA 49 CO 0.06 0.41 -0.71 1.25 0.00 0.00 0.00 179.25 180.27 1x58 h HIS 50 N 1.06 0.75 -0.28 0.00 6.17 -0.24 0.45 115.15 123.08 1x58 h HIS 50 Ca 0.36 -0.40 -0.04 0.00 0.71 0.00 0.00 60.37 61.01 1x58 h HIS 50 Cb 0.10 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 1x58 h HIS 50 CO -0.00 1.22 0.03 -0.22 0.71 0.00 0.00 177.93 179.66 1x58 h LYS 51 N 0.08 0.47 -0.36 5.26 1.63 -0.77 -2.86 116.57 120.02 1x58 h LYS 51 Ca -0.08 -0.14 0.06 0.00 -0.85 0.00 0.00 60.65 59.64 1x58 h LYS 51 Cb 1.40 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.92 1x58 h LYS 51 CO 0.14 0.60 0.03 -0.92 -3.45 0.00 0.00 179.45 175.86 1x58 h TYR 52 N 0.27 0.05 -0.40 1.91 3.20 -0.88 0.13 116.97 121.24 1x58 h TYR 52 Ca 0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1x58 h TYR 52 Cb 0.37 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1x58 h TYR 52 CO 0.03 -0.03 -0.49 1.25 -1.64 0.00 0.00 178.16 177.28 1x58 h HIS 53 N 0.14 -1.45 -0.30 -3.82 2.76 -0.90 0.14 115.15 111.72 1x58 h HIS 53 Ca 0.17 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1x58 h HIS 53 Cb 0.22 0.69 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 1x58 h HIS 53 CO -0.22 -0.47 0.09 0.00 -1.30 0.00 0.00 177.93 176.04 1x58 h ARG 54 N -0.36 0.43 -0.44 5.26 2.47 -1.08 0.69 114.38 121.35 1x58 h ARG 54 Ca 0.11 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 1x58 h ARG 54 Cb 0.59 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1x58 h ARG 54 CO -0.58 0.38 0.15 -0.07 0.56 0.00 0.00 179.97 180.41 1x58 h LEU 55 N 0.43 0.63 -0.02 3.04 3.38 0.71 -2.75 115.31 120.72 1x58 h LEU 55 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x58 h LEU 55 Cb 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1x58 h LEU 55 CO -0.01 0.65 -0.05 2.30 0.09 0.00 0.00 178.44 181.42 1x58 n ILE 56 N -4.58 0.00 1.51 1.22 -5.35 0.35 -1.81 119.36 110.69 1x58 n ILE 56 Ca 0.00 -0.01 0.15 0.00 -0.27 0.00 0.00 62.75 62.63 1x58 n ILE 56 Cb 0.17 -0.40 0.79 0.00 -1.74 0.00 0.00 39.64 38.46 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 -1.38 0.00 -0.62 7.28 7.64 0.18 -5.04 113.62 121.67 1x58 n SER 57 Ca 0.10 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1x58 n SER 57 Cb 0.30 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 1.25 -0.40 3.85 0.23 0.00 -0.75 -4.79 105.19 104.57 1x58 n GLY 58 Ca 0.16 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 3.96 0.32 1.61 0.04 -1.26 -4.90 135.00 134.78 1x58 s PRO 59 Ca 0.00 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1x58 s PRO 59 Cb 0.00 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1x58 s PRO 59 CO 0.00 -0.04 0.00 0.43 0.04 0.00 0.00 177.00 177.43 1x58 n SER 60 N -0.99 -6.70 -3.37 6.66 7.64 -1.26 -4.98 113.62 110.62 1x58 n SER 60 Ca 0.05 0.64 -0.21 0.00 1.01 0.00 0.00 58.87 60.36 1x58 n SER 60 Cb 0.54 -3.77 0.01 0.00 -1.01 0.00 0.00 64.21 59.98 1x58 n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x58 n SER 61 N -4.31 -6.27 0.00 6.43 7.64 -1.26 -5.09 113.62 110.77 1x58 n SER 61 Ca -0.01 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1x58 n SER 61 Cb 0.64 -3.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64