#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 -0.04 -0.00 1.61 1.04 -1.26 -4.40 113.70 110.65 1x58 s SER 2 Ca 0.00 -0.89 -0.25 0.00 0.48 0.00 0.00 55.95 55.29 1x58 s SER 2 Cb 0.00 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1x58 s SER 2 CO 0.00 -1.00 0.56 -0.55 0.98 0.00 0.00 173.24 173.23 1x58 s SER 3 N -2.99 -0.50 0.03 7.02 0.15 -1.26 -4.85 113.70 111.30 1x58 s SER 3 Ca 0.20 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1x58 s SER 3 Cb 0.02 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1x58 s SER 3 CO 0.04 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1x58 n GLY 4 N 0.74 -0.85 3.68 9.45 0.00 -1.26 -4.96 105.19 112.00 1x58 n GLY 4 Ca -0.19 -1.62 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 1x58 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x58 n SER 5 N -0.09 3.64 -3.37 1.61 7.64 -1.26 -4.97 113.62 116.81 1x58 n SER 5 Ca 0.00 0.99 -0.12 0.00 1.01 0.00 0.00 58.87 60.75 1x58 n SER 5 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.66 1x58 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x58 s SER 6 N 3.07 0.73 -1.02 6.43 0.01 -1.26 -5.04 113.70 116.62 1x58 s SER 6 Ca 0.86 -0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 1x58 s SER 6 Cb -0.60 0.88 -0.14 0.00 0.21 0.00 0.00 66.02 66.38 1x58 s SER 6 CO 0.43 -0.33 3.01 0.61 0.41 0.00 0.00 173.24 177.37 1x58 n GLY 7 N 5.34 3.67 0.00 3.44 0.00 -1.26 -4.43 105.19 111.95 1x58 n GLY 7 Ca -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.31 0.00 -3.92 1.61 0.63 -1.26 -4.96 116.66 112.08 1x58 n ARG 8 Ca 0.62 0.37 -0.30 0.00 -0.92 0.00 0.00 57.85 57.63 1x58 n ARG 8 Cb 0.42 -0.96 -0.00 0.00 0.45 0.00 0.00 32.46 32.36 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x58 n LYS 9 N -1.62 -2.20 0.19 -0.14 4.76 -1.26 -4.89 118.16 113.01 1x58 n LYS 9 Ca 0.00 0.36 -0.14 0.00 -2.87 0.00 0.00 58.31 55.66 1x58 n LYS 9 Cb 0.00 -4.12 -0.08 0.00 -1.84 0.00 0.00 35.03 28.99 1x58 n LYS 9 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1x58 h ASP 10 N -1.94 -0.41 -3.95 4.39 1.82 -1.98 -3.42 116.42 110.93 1x58 h ASP 10 Ca -0.65 -0.13 -0.51 0.00 -0.39 0.00 0.00 57.03 55.35 1x58 h ASP 10 Cb 1.38 0.11 0.06 0.00 0.68 0.00 0.00 39.33 41.56 1x58 h ASP 10 CO 0.58 -0.09 0.53 -0.36 -1.61 0.00 0.00 179.24 178.29 1x58 s PHE 11 N -4.94 2.97 1.09 0.28 0.40 -1.26 -5.06 117.98 111.46 1x58 s PHE 11 Ca -0.15 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.52 1x58 s PHE 11 Cb 0.03 -3.47 0.25 0.00 0.51 0.00 0.00 43.02 40.34 1x58 s PHE 11 CO 0.55 -1.56 1.25 0.95 0.70 0.00 0.00 175.22 177.11 1x58 s THR 12 N -1.38 1.81 0.42 0.64 -4.23 -1.26 -4.97 115.64 106.66 1x58 s THR 12 Ca 0.58 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.20 1x58 s THR 12 Cb -0.33 -2.79 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1x58 s THR 12 CO 0.41 0.00 1.98 0.07 -0.54 0.00 0.00 174.62 176.54 1x58 h LYS 13 N -2.12 0.21 0.13 3.99 2.10 -1.97 -3.28 116.57 115.63 1x58 h LYS 13 Ca -0.44 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1x58 h LYS 13 Cb 1.25 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1x58 h LYS 13 CO 0.33 0.30 -0.06 0.93 -2.00 0.00 0.00 179.45 178.94 1x58 h GLU 14 N 0.21 -0.17 0.00 0.07 4.39 -2.00 -2.78 114.58 114.30 1x58 h GLU 14 Ca 0.05 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1x58 h GLU 14 Cb 0.26 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1x58 h GLU 14 CO 0.01 0.30 -0.07 0.93 -1.16 0.00 0.00 179.01 179.02 1x58 h GLU 15 N -0.86 0.00 -0.08 2.33 4.39 -1.95 0.16 114.58 118.56 1x58 h GLU 15 Ca -0.02 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1x58 h GLU 15 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1x58 h GLU 15 CO 0.03 0.07 -0.88 0.28 -1.16 0.00 0.00 179.01 177.34 1x58 h VAL 16 N 0.00 1.29 -0.21 3.13 2.07 -1.61 0.52 116.25 121.45 1x58 h VAL 16 Ca -0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1x58 h VAL 16 Cb 0.23 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1x58 h VAL 16 CO 0.01 0.66 0.13 -1.13 0.02 0.00 0.00 177.57 177.26 1x58 h ASN 17 N 0.45 0.24 0.12 0.57 -0.73 -0.72 -2.33 115.58 113.17 1x58 h ASN 17 Ca -0.08 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.02 1x58 h ASN 17 Cb 1.52 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.04 1x58 h ASN 17 CO 0.17 0.19 -0.17 1.88 -0.37 0.00 0.00 177.43 179.13 1x58 h TYR 18 N 0.27 0.11 0.30 0.67 0.05 -1.24 -0.49 116.97 116.64 1x58 h TYR 18 Ca 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1x58 h TYR 18 Cb -0.02 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1x58 h TYR 18 CO -0.06 0.28 -0.26 1.25 -1.05 0.00 0.00 178.16 178.32 1x58 h LEU 19 N 0.10 -0.68 -0.20 3.88 7.12 -0.38 0.32 115.31 125.48 1x58 h LEU 19 Ca 0.02 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1x58 h LEU 19 Cb 0.37 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1x58 h LEU 19 CO 0.02 -0.38 0.11 -0.26 -0.13 0.00 0.00 178.44 177.80 1x58 h PHE 20 N -0.57 0.27 -0.62 1.25 0.04 -1.05 -0.77 116.94 115.48 1x58 h PHE 20 Ca -0.02 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1x58 h PHE 20 Cb 0.51 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1x58 h PHE 20 CO -0.15 0.24 0.41 0.45 -0.60 0.00 0.00 178.31 178.67 1x58 h HIS 21 N 0.22 0.77 0.29 -0.55 3.86 -0.93 -0.22 115.15 118.60 1x58 h HIS 21 Ca 0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1x58 h HIS 21 Cb 0.06 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.27 1x58 h HIS 21 CO -0.04 0.48 -0.14 0.78 0.86 0.00 0.00 177.93 179.87 1x58 h GLY 22 N 0.83 -0.41 1.92 2.45 0.00 -0.08 -2.96 103.07 104.81 1x58 h GLY 22 Ca 0.23 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1x58 h GLY 22 CO -0.05 -0.15 0.03 -2.08 0.00 0.00 0.00 176.54 174.29 1x58 h VAL 23 N -0.75 0.80 -0.44 4.60 2.07 -0.86 0.39 116.25 122.06 1x58 h VAL 23 Ca -0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1x58 h VAL 23 Cb 0.50 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1x58 h VAL 23 CO 0.07 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.07 1x58 h LYS 24 N 0.00 0.76 0.03 1.57 3.11 -0.88 -0.48 116.57 120.68 1x58 h LYS 24 Ca 0.02 -0.24 -0.36 0.00 -2.81 0.00 0.00 60.65 57.26 1x58 h LYS 24 Cb 0.08 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.18 1x58 h LYS 24 CO -0.00 0.83 -2.17 -2.37 -2.81 0.00 0.00 179.45 172.92 1x58 n THR 25 N -4.18 1.57 0.81 1.00 5.66 -0.75 -4.51 114.28 113.88 1x58 n THR 25 Ca 0.02 -0.71 0.11 0.00 -3.05 0.00 0.00 64.05 60.42 1x58 n THR 25 Cb 0.35 -1.19 0.03 0.00 -1.55 0.00 0.00 70.33 67.97 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 -3.15 0.13 0.00 1.09 2.81 0.05 -5.07 117.12 112.98 1x58 n MET 26 Ca -0.33 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 1x58 n MET 26 Cb 1.06 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 1.45 2.08 0.00 3.03 0.00 -0.19 -3.39 105.19 108.17 1x58 n GLY 27 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1x58 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x58 n ASN 28 N -0.88 0.00 -4.52 1.61 0.23 -1.26 -4.31 115.26 106.12 1x58 n ASN 28 Ca 0.00 0.01 -0.42 0.00 -0.53 0.00 0.00 54.58 53.65 1x58 n ASN 28 Cb 0.00 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.58 1x58 n ASN 28 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1x58 s HIS 29 N -2.18 2.48 0.13 -2.53 2.46 -1.22 -4.80 115.29 109.62 1x58 s HIS 29 Ca 0.04 -0.41 -0.13 0.00 0.47 0.00 0.00 55.06 55.03 1x58 s HIS 29 Cb 0.02 -4.54 -0.03 0.00 -0.13 0.00 0.00 32.58 27.90 1x58 s HIS 29 CO 0.04 -1.91 1.52 -1.49 -2.47 0.00 0.00 174.74 170.42 1x58 h TRP 30 N 9.80 0.94 -0.63 3.88 4.06 -1.90 -2.23 115.95 129.88 1x58 h TRP 30 Ca -0.16 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 60.56 1x58 h TRP 30 Cb 1.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 1x58 h TRP 30 CO 1.13 0.98 0.34 -0.91 -3.56 0.00 0.00 178.44 176.41 1x58 h ASN 31 N 0.64 0.79 -0.28 -3.49 2.35 -1.87 -0.78 115.58 112.93 1x58 h ASN 31 Ca 0.10 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x58 h ASN 31 Cb 0.71 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1x58 h ASN 31 CO 0.05 0.66 0.19 0.28 -1.65 0.00 0.00 177.43 176.95 1x58 h SER 32 N 0.86 0.32 -0.41 5.81 0.02 -1.93 -3.00 113.55 115.22 1x58 h SER 32 Ca 0.22 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1x58 h SER 32 Cb 0.05 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1x58 h SER 32 CO -0.04 0.23 0.19 0.40 -1.14 0.00 0.00 176.83 176.48 1x58 h ILE 33 N 0.38 0.95 0.00 3.27 2.04 -0.81 0.10 117.51 123.44 1x58 h ILE 33 Ca 0.10 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1x58 h ILE 33 Cb -0.04 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1x58 h ILE 33 CO -0.02 0.07 -0.01 0.25 0.00 0.00 0.00 178.15 178.44 1x58 h LEU 34 N 0.39 0.00 0.01 1.44 6.46 -1.02 -0.73 115.31 121.86 1x58 h LEU 34 Ca 0.18 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.59 1x58 h LEU 34 Cb 0.10 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1x58 h LEU 34 CO -0.14 0.01 -2.17 0.79 -0.62 0.00 0.00 178.44 176.31 1x58 n TRP 35 N -3.30 0.41 0.30 1.25 8.01 -0.89 -4.53 117.44 118.69 1x58 n TRP 35 Ca -0.03 0.13 0.17 0.00 -1.31 0.00 0.00 57.50 56.47 1x58 n TRP 35 Cb 0.09 -1.07 0.83 0.00 -2.01 0.00 0.00 31.31 29.16 1x58 n TRP 35 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1x58 h SER 36 N 0.01 0.00 -4.66 -0.99 0.02 0.75 -3.43 113.55 105.24 1x58 h SER 36 Ca -0.47 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.16 1x58 h SER 36 Cb 2.11 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 64.44 1x58 h SER 36 CO 0.03 0.00 -0.75 -0.36 -1.14 0.00 0.00 176.83 174.61 1x58 s PHE 37 N -3.77 0.86 -0.49 3.45 0.40 -1.14 -5.08 117.98 112.22 1x58 s PHE 37 Ca -0.01 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.55 1x58 s PHE 37 Cb 0.10 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 43.14 1x58 s PHE 37 CO 0.41 -0.03 1.45 -1.25 0.70 0.00 0.00 175.22 176.50 1x58 s PRO 38 N -1.63 3.39 0.59 0.24 0.04 -1.26 -4.85 135.00 131.51 1x58 s PRO 38 Ca -0.07 0.71 0.08 0.00 0.04 0.00 0.00 61.00 61.76 1x58 s PRO 38 Cb -0.10 -4.10 0.09 0.00 0.04 0.00 0.00 34.50 30.43 1x58 s PRO 38 CO 0.01 -1.81 0.81 -0.06 0.04 0.00 0.00 177.00 175.99 1x58 s PHE 39 N 5.96 1.45 0.68 0.56 0.08 -1.26 -5.00 117.98 120.45 1x58 s PHE 39 Ca 0.58 -0.67 -0.16 0.00 0.12 0.00 0.00 56.93 56.80 1x58 s PHE 39 Cb -0.12 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1x58 s PHE 39 CO 0.29 -1.21 1.22 -0.65 -0.10 0.00 0.00 175.22 174.77 1x58 s GLN 40 N -4.72 2.42 0.92 0.44 -0.21 -1.26 -5.01 119.66 112.25 1x58 s GLN 40 Ca 0.62 1.83 -0.11 0.00 0.02 0.00 0.00 55.36 57.73 1x58 s GLN 40 Cb -0.06 -1.86 0.13 0.00 1.00 0.00 0.00 33.01 32.22 1x58 s GLN 40 CO 0.39 -1.64 1.01 1.63 -2.12 0.00 0.00 175.29 174.57 1x58 n LYS 41 N -2.29 -0.42 -0.98 2.91 4.76 -1.26 -3.29 118.16 117.60 1x58 n LYS 41 Ca 0.14 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1x58 n LYS 41 Cb 0.50 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1x58 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x58 n GLY 42 N 0.51 0.08 3.78 0.72 0.00 -1.26 -4.98 105.19 104.04 1x58 n GLY 42 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.64 1.81 0.13 1.61 1.81 -1.21 -5.09 118.95 116.38 1x58 s ARG 43 Ca 0.00 0.68 0.04 0.00 -1.72 0.00 0.00 55.73 54.73 1x58 s ARG 43 Cb 0.00 -1.88 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 1x58 s ARG 43 CO 0.00 -1.82 -0.10 1.03 -0.68 0.00 0.00 175.30 173.73 1x58 s ARG 44 N -5.10 0.99 0.35 3.54 0.52 -1.26 -5.04 118.95 112.96 1x58 s ARG 44 Ca 0.62 -1.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1x58 s ARG 44 Cb -0.15 -0.58 0.64 0.00 0.52 0.00 0.00 34.95 35.37 1x58 s ARG 44 CO 0.55 0.07 1.99 0.00 0.02 0.00 0.00 175.30 177.94 1x58 h ALA 45 N 3.00 1.52 0.00 2.13 0.00 -1.95 -2.27 119.26 121.70 1x58 h ALA 45 Ca -0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1x58 h ALA 45 Cb 1.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1x58 h ALA 45 CO 0.61 0.42 -0.12 -0.39 0.00 0.00 0.00 179.25 179.76 1x58 h VAL 46 N 0.80 0.86 -0.84 0.00 -1.51 -1.96 -1.89 116.25 111.71 1x58 h VAL 46 Ca 0.21 -0.46 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1x58 h VAL 46 Cb -0.04 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 30.35 1x58 h VAL 46 CO -0.04 0.12 0.45 0.44 -1.23 0.00 0.00 177.57 177.31 1x58 h ASP 47 N 0.00 1.07 -0.12 4.19 3.32 -1.81 0.15 116.42 123.21 1x58 h ASP 47 Ca -0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1x58 h ASP 47 Cb 0.25 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1x58 h ASP 47 CO 0.02 0.87 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.33 1x58 h LEU 48 N 1.18 0.22 -0.36 1.55 3.38 -1.44 -1.29 115.31 118.55 1x58 h LEU 48 Ca 0.29 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x58 h LEU 48 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1x58 h LEU 48 CO -0.04 0.48 0.23 0.00 0.09 0.00 0.00 178.44 179.20 1x58 h ALA 49 N 0.74 0.45 0.29 1.53 0.00 -1.19 -0.49 119.26 120.59 1x58 h ALA 49 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x58 h ALA 49 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x58 h ALA 49 CO 0.01 -0.10 -0.14 1.25 0.00 0.00 0.00 179.25 180.26 1x58 h HIS 50 N 0.46 -0.36 -0.24 0.00 -0.00 -0.65 0.73 115.15 115.09 1x58 h HIS 50 Ca 0.13 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.55 1x58 h HIS 50 Cb -0.04 0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 27.42 1x58 h HIS 50 CO -0.06 -0.18 -0.32 -0.22 -0.00 0.00 0.00 177.93 177.15 1x58 h LYS 51 N -0.46 -0.32 -0.59 5.26 3.11 -0.98 0.01 116.57 122.61 1x58 h LYS 51 Ca -0.04 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1x58 h LYS 51 Cb 0.34 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.60 1x58 h LYS 51 CO 0.07 -0.21 0.33 -0.92 -2.81 0.00 0.00 179.45 175.90 1x58 h TYR 52 N -0.33 0.61 -0.24 1.91 3.20 -0.94 0.30 116.97 121.48 1x58 h TYR 52 Ca 0.13 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1x58 h TYR 52 Cb 0.54 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1x58 h TYR 52 CO -0.46 0.32 0.08 1.25 -1.64 0.00 0.00 178.16 177.71 1x58 h HIS 53 N 0.64 0.14 0.00 -3.82 2.76 -0.13 -0.45 115.15 114.29 1x58 h HIS 53 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1x58 h HIS 53 Cb 0.11 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 1x58 h HIS 53 CO -0.08 0.06 -0.09 0.00 -1.30 0.00 0.00 177.93 176.52 1x58 h ARG 54 N 0.19 0.00 0.00 5.26 2.47 -0.20 0.20 114.38 122.29 1x58 h ARG 54 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1x58 h ARG 54 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1x58 h ARG 54 CO -0.11 0.09 -0.01 -0.07 0.56 0.00 0.00 179.97 180.43 1x58 h LEU 55 N 0.00 0.00 0.00 3.04 3.38 0.61 -1.90 115.31 120.43 1x58 h LEU 55 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1x58 h LEU 55 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x58 h LEU 55 CO 0.01 0.00 -2.02 2.30 0.09 0.00 0.00 178.44 178.82 1x58 n ILE 56 N -2.44 0.12 -2.89 1.22 -5.35 -0.54 -4.86 119.36 104.63 1x58 n ILE 56 Ca 0.05 -0.53 -0.02 0.00 -0.27 0.00 0.00 62.75 61.98 1x58 n ILE 56 Cb 0.45 -0.04 0.01 0.00 -1.74 0.00 0.00 39.64 38.32 1x58 n ILE 56 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1x58 s SER 57 N -4.61 -1.30 0.00 7.28 0.15 0.63 -5.10 113.70 110.74 1x58 s SER 57 Ca -0.08 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1x58 s SER 57 Cb 0.13 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 1x58 s SER 57 CO 0.90 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.87 1x58 n GLY 58 N 3.39 1.44 1.78 9.45 0.00 -0.72 -3.88 105.19 116.65 1x58 n GLY 58 Ca 0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1x58 n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x58 n PRO 59 N 0.00 1.53 -1.76 1.61 -0.04 -1.26 -4.65 135.00 130.42 1x58 n PRO 59 Ca 0.00 -0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 62.40 1x58 n PRO 59 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1x58 n PRO 59 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x58 s SER 60 N 1.75 6.49 0.20 3.54 0.15 -1.26 -4.88 113.70 119.69 1x58 s SER 60 Ca 0.31 2.63 -0.23 0.00 0.70 0.00 0.00 55.95 59.37 1x58 s SER 60 Cb 0.16 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1x58 s SER 60 CO -0.01 -1.00 0.70 -0.44 1.20 0.00 0.00 173.24 173.69 1x58 s SER 61 N 3.37 -0.39 0.00 5.45 0.01 -1.26 -5.14 113.70 115.74 1x58 s SER 61 Ca 0.82 -0.29 0.32 0.00 1.31 0.00 0.00 55.95 58.10 1x58 s SER 61 Cb -0.42 0.63 1.83 0.00 0.21 0.00 0.00 66.02 68.26 1x58 s SER 61 CO 0.37 -1.10 2.18 0.61 0.41 0.00 0.00 173.24 175.71