#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a36 s GLU 2 N 0.00 0.46 -0.03 0.03 -1.05 -1.26 -3.59 118.70 113.27 2a36 s GLU 2 Ca 0.00 -0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 54.43 2a36 s GLU 2 Cb 0.00 -0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.31 2a36 s GLU 2 CO 0.00 0.10 0.10 0.00 0.95 0.00 0.00 175.26 176.41 2a36 s ALA 3 N -0.46 -0.25 0.20 -0.84 0.00 -0.96 -3.33 121.76 116.12 2a36 s ALA 3 Ca -0.01 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2a36 s ALA 3 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2a36 s ALA 3 CO -0.00 -0.10 0.19 -1.50 0.00 0.00 0.00 175.76 174.36 2a36 s ILE 4 N -0.40 4.62 -0.27 0.00 2.07 -0.36 -0.19 121.20 126.68 2a36 s ILE 4 Ca -0.05 -1.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.00 2a36 s ILE 4 Cb -0.03 -3.43 0.09 0.00 0.13 0.00 0.00 42.46 39.22 2a36 s ILE 4 CO 0.00 -0.22 0.10 0.00 -1.91 0.00 0.00 174.94 172.91 2a36 s ALA 5 N -1.92 0.93 -0.71 1.50 0.00 -0.40 -0.50 121.76 120.66 2a36 s ALA 5 Ca 0.32 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 2a36 s ALA 5 Cb -0.09 -1.38 0.19 0.00 0.00 0.00 0.00 23.12 21.84 2a36 s ALA 5 CO 0.25 -1.52 0.60 0.21 0.00 0.00 0.00 175.76 175.31 2a36 s LYS 6 N 1.92 3.11 -0.30 0.00 2.20 0.39 -1.72 119.74 125.35 2a36 s LYS 6 Ca 0.07 -2.41 -0.16 0.00 -0.36 0.00 0.00 55.97 53.11 2a36 s LYS 6 Cb -0.17 -4.12 0.16 0.00 -1.51 0.00 0.00 37.83 32.19 2a36 s LYS 6 CO -0.25 -1.24 1.04 -1.01 -0.36 0.00 0.00 175.35 173.53 2a36 s HIS 7 N 0.22 -0.50 0.80 4.03 3.76 -1.15 -4.80 115.29 117.66 2a36 s HIS 7 Ca 0.16 0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 55.88 2a36 s HIS 7 Cb -0.16 0.30 0.08 0.00 1.11 0.00 0.00 32.58 33.91 2a36 s HIS 7 CO -0.06 -0.25 1.20 0.34 -0.85 0.00 0.00 174.74 175.12 2a36 s ASP 8 N 1.74 3.65 -0.16 1.40 -1.08 -1.26 -4.11 116.67 116.85 2a36 s ASP 8 Ca -0.06 2.33 -0.29 0.00 -0.52 0.00 0.00 52.55 54.01 2a36 s ASP 8 Cb -0.04 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 38.94 2a36 s ASP 8 CO -0.15 -2.62 0.90 0.12 0.52 0.00 0.00 175.17 173.94 2a36 s PHE 9 N -2.19 -0.49 -0.34 -5.34 2.19 -0.99 -4.93 117.98 105.89 2a36 s PHE 9 Ca 0.72 0.94 -0.00 0.00 0.33 0.00 0.00 56.93 58.92 2a36 s PHE 9 Cb -0.28 0.41 0.11 0.00 -1.31 0.00 0.00 43.02 41.95 2a36 s PHE 9 CO 0.50 -0.39 0.14 -1.12 1.83 0.00 0.00 175.22 176.18 2a36 s SER 10 N -0.78 3.84 0.00 6.13 0.01 -1.26 -2.49 113.70 119.15 2a36 s SER 10 Ca -0.03 -1.88 0.00 0.00 1.31 0.00 0.00 55.95 55.35 2a36 s SER 10 Cb -0.01 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.38 2a36 s SER 10 CO 0.02 -0.38 0.00 0.00 0.41 0.00 0.00 173.24 173.30 2a36 n ALA 11 N 4.52 -1.04 0.56 1.44 0.00 -1.26 -4.91 120.51 119.82 2a36 n ALA 11 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2a36 n ALA 11 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 2a36 n ALA 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2a36 n THR 12 N 0.00 0.00 -4.29 0.00 -1.04 -1.26 -4.95 114.28 102.73 2a36 n THR 12 Ca 0.00 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.05 61.61 2a36 n THR 12 Cb 0.00 0.70 -0.11 0.00 -1.82 0.00 0.00 70.33 69.09 2a36 n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a36 s ALA 13 N -2.87 1.81 0.30 2.41 0.00 -1.26 -5.05 121.76 117.10 2a36 s ALA 13 Ca 0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 2a36 s ALA 13 Cb 0.13 -0.16 0.46 0.00 0.00 0.00 0.00 23.12 23.56 2a36 s ALA 13 CO 0.74 0.21 1.95 0.38 0.00 0.00 0.00 175.76 179.04 2a36 h ASP 14 N 3.46 0.89 -0.29 0.00 2.03 -2.00 -0.71 116.42 119.81 2a36 h ASP 14 Ca -0.42 -0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.70 2a36 h ASP 14 Cb 1.20 -0.22 -0.08 0.00 -0.83 0.00 0.00 39.33 39.40 2a36 h ASP 14 CO 0.49 0.68 0.17 -0.67 -1.03 0.00 0.00 179.24 178.88 2a36 n ASP 15 N -4.39 3.10 -4.27 4.15 2.03 -1.26 -4.76 116.55 111.15 2a36 n ASP 15 Ca 0.08 -2.46 -0.35 0.00 0.52 0.00 0.00 54.79 52.57 2a36 n ASP 15 Cb 0.06 -0.60 -0.14 0.00 -0.72 0.00 0.00 41.12 39.72 2a36 n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2a36 s GLU 16 N -1.13 3.15 -0.10 -0.67 2.02 -0.27 0.23 118.70 121.92 2a36 s GLU 16 Ca 0.18 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2a36 s GLU 16 Cb 0.15 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 2a36 s GLU 16 CO 0.04 -0.29 1.06 -1.17 0.02 0.00 0.00 175.26 174.92 2a36 s LEU 17 N 1.42 4.24 0.59 1.80 0.20 0.25 -4.46 118.68 122.72 2a36 s LEU 17 Ca 0.04 1.59 -0.06 0.00 0.69 0.00 0.00 54.13 56.39 2a36 s LEU 17 Cb -0.15 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.06 2a36 s LEU 17 CO -0.04 -0.51 0.90 -0.55 -0.29 0.00 0.00 176.35 175.87 2a36 s SER 18 N 1.22 5.61 0.19 3.68 0.15 -1.26 -4.62 113.70 118.67 2a36 s SER 18 Ca 0.50 0.74 -0.21 0.00 0.70 0.00 0.00 55.95 57.68 2a36 s SER 18 Cb -0.20 -1.74 0.07 0.00 -1.71 0.00 0.00 66.02 62.45 2a36 s SER 18 CO 0.18 -1.06 1.01 2.22 1.20 0.00 0.00 173.24 176.80 2a36 n PHE 19 N -2.59 -1.40 -4.21 3.44 1.16 -1.04 -5.00 117.46 107.82 2a36 n PHE 19 Ca 0.04 -1.29 -0.24 0.00 -1.87 0.00 0.00 57.45 54.09 2a36 n PHE 19 Cb 0.57 0.63 -0.07 0.00 -1.61 0.00 0.00 39.48 39.00 2a36 n PHE 19 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2a36 s ARG 20 N -2.05 2.22 0.37 3.97 3.03 -1.26 -2.36 118.95 122.86 2a36 s ARG 20 Ca 0.22 -1.68 -0.28 0.00 2.03 0.00 0.00 55.73 56.02 2a36 s ARG 20 Cb -0.03 -2.04 -0.11 0.00 -1.03 0.00 0.00 34.95 31.74 2a36 s ARG 20 CO 0.06 0.09 1.50 0.15 -1.13 0.00 0.00 175.30 175.97 2a36 s LYS 21 N -3.80 4.11 0.00 3.89 1.02 -1.26 -2.42 119.74 121.29 2a36 s LYS 21 Ca 0.37 2.57 0.00 0.00 0.02 0.00 0.00 55.97 58.93 2a36 s LYS 21 Cb -0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2a36 s LYS 21 CO 0.21 -0.55 0.00 -2.37 -0.92 0.00 0.00 175.35 171.72 2a36 n THR 22 N 0.69 0.00 -1.86 2.17 5.66 -0.70 -4.89 114.28 115.35 2a36 n THR 22 Ca 0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.72 2a36 n THR 22 Cb 0.39 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.23 2a36 n THR 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2a36 s GLN 23 N -0.14 2.54 -0.19 1.09 -0.21 -1.01 -4.77 119.66 116.97 2a36 s GLN 23 Ca 0.00 0.37 -0.05 0.00 0.02 0.00 0.00 55.36 55.70 2a36 s GLN 23 Cb 0.00 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 2a36 s GLN 23 CO 0.00 -1.24 -0.00 0.96 -2.12 0.00 0.00 175.29 172.89 2a36 s ILE 24 N -3.41 4.02 -0.04 1.08 -0.00 -1.26 -1.27 121.20 120.32 2a36 s ILE 24 Ca 0.59 -0.30 0.01 0.00 -0.00 0.00 0.00 60.65 60.96 2a36 s ILE 24 Cb -0.11 -2.81 -0.03 0.00 -0.00 0.00 0.00 42.46 39.51 2a36 s ILE 24 CO 0.51 0.44 -0.05 -0.76 -0.00 0.00 0.00 174.94 175.08 2a36 s LEU 25 N 0.84 3.24 -0.72 0.37 2.01 0.74 -4.99 118.68 120.17 2a36 s LEU 25 Ca 0.01 -0.05 -0.23 0.00 0.01 0.00 0.00 54.13 53.87 2a36 s LEU 25 Cb -0.14 -1.78 0.07 0.00 0.01 0.00 0.00 46.19 44.35 2a36 s LEU 25 CO 0.02 0.33 1.07 -0.75 1.01 0.00 0.00 176.35 178.02 2a36 s LYS 26 N -1.10 3.20 0.07 1.70 2.47 -1.04 -2.27 119.74 122.77 2a36 s LYS 26 Ca 0.15 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.43 2a36 s LYS 26 Cb -0.11 -4.35 -0.05 0.00 -1.46 0.00 0.00 37.83 31.86 2a36 s LYS 26 CO 0.04 -1.90 1.07 0.42 0.16 0.00 0.00 175.35 175.15 2a36 s ILE 27 N 4.29 4.33 0.00 5.43 -1.09 -1.24 -0.79 121.20 132.14 2a36 s ILE 27 Ca 0.27 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2a36 s ILE 27 Cb -0.13 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2a36 s ILE 27 CO 0.08 0.19 0.00 0.18 -1.23 0.00 0.00 174.94 174.17 2a36 n LEU 28 N 3.41 0.00 -3.49 2.97 4.32 -0.92 -4.45 117.00 118.84 2a36 n LEU 28 Ca 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 2a36 n LEU 28 Cb 0.48 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 2a36 n LEU 28 CO 0.53 0.00 -0.03 0.21 -1.22 0.00 0.00 177.39 176.89 2a36 s ASN 29 N 0.00 0.04 -0.14 -1.43 2.47 -1.15 -5.01 114.94 109.73 2a36 s ASN 29 Ca 0.00 0.56 -0.02 0.00 0.42 0.00 0.00 52.86 53.82 2a36 s ASN 29 Cb 0.00 1.19 -0.02 0.00 -1.45 0.00 0.00 41.25 40.97 2a36 s ASN 29 CO 0.00 -0.27 -0.09 0.00 -3.72 0.00 0.00 177.10 173.03 2a36 s MET 30 N 2.57 3.52 0.00 0.43 0.00 -1.26 -2.92 119.30 121.64 2a36 s MET 30 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 55.69 55.15 2a36 s MET 30 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 34.83 31.93 2a36 s MET 30 CO -0.14 0.22 0.00 0.39 0.00 0.00 0.00 175.02 175.49 2a36 n GLU 31 N 3.54 0.00 -0.03 3.16 1.02 -1.26 -4.98 120.64 122.09 2a36 n GLU 31 Ca -0.18 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.81 2a36 n GLU 31 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.86 2a36 n GLU 31 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2a36 h ASP 32 N 0.00 0.50 -3.41 1.62 5.19 -1.89 -3.47 116.42 114.96 2a36 h ASP 32 Ca 0.00 -0.63 0.07 0.00 -0.62 0.00 0.00 57.03 55.86 2a36 h ASP 32 Cb 0.00 -0.15 -0.26 0.00 0.18 0.00 0.00 39.33 39.11 2a36 h ASP 32 CO 0.00 1.04 0.51 -0.62 -3.12 0.00 0.00 179.24 177.05 2a36 s ASP 33 N -6.49 -0.40 0.00 6.45 -1.08 -1.26 -4.99 116.67 108.90 2a36 s ASP 33 Ca -0.14 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 2a36 s ASP 33 Cb 0.05 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.17 2a36 s ASP 33 CO 0.80 -0.20 0.49 -1.54 0.52 0.00 0.00 175.17 175.23 2a36 n SER 34 N 1.74 1.39 0.00 -0.34 3.41 -1.26 -2.85 113.62 115.70 2a36 n SER 34 Ca -0.12 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 2a36 n SER 34 Cb 0.56 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2a36 n SER 34 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2a36 n ASN 35 N 1.08 0.00 -3.94 4.04 3.02 -1.26 -5.00 115.26 113.19 2a36 n ASN 35 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 2a36 n ASN 35 Cb 0.19 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.20 2a36 n ASN 35 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2a36 s TRP 36 N -0.69 2.18 0.15 3.10 0.52 -1.13 -0.76 118.94 122.30 2a36 s TRP 36 Ca 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 56.10 54.59 2a36 s TRP 36 Cb 0.00 -1.52 -0.06 0.00 -1.15 0.00 0.00 33.47 30.74 2a36 s TRP 36 CO 0.00 -0.71 0.40 0.71 0.02 0.00 0.00 176.95 177.37 2a36 s TYR 37 N 1.47 3.47 -0.61 -1.98 2.02 -1.08 -4.44 117.35 116.20 2a36 s TYR 37 Ca -0.02 0.62 -0.19 0.00 -0.37 0.00 0.00 57.07 57.12 2a36 s TYR 37 Cb -0.17 -2.05 0.11 0.00 -0.40 0.00 0.00 41.96 39.45 2a36 s TYR 37 CO -0.08 0.42 0.71 0.50 -1.57 0.00 0.00 175.55 175.53 2a36 s ARG 38 N -2.62 3.08 0.41 -0.62 3.52 -1.15 -1.40 118.95 120.17 2a36 s ARG 38 Ca 0.41 -1.40 0.08 0.00 -0.13 0.00 0.00 55.73 54.69 2a36 s ARG 38 Cb -0.12 -4.30 -0.03 0.00 -1.56 0.00 0.00 34.95 28.94 2a36 s ARG 38 CO 0.24 -1.53 0.31 0.00 -0.81 0.00 0.00 175.30 173.50 2a36 s ALA 39 N 2.54 3.89 0.10 6.12 0.00 0.31 -2.16 121.76 132.56 2a36 s ALA 39 Ca 0.12 -1.95 0.09 0.00 0.00 0.00 0.00 51.96 50.22 2a36 s ALA 39 Cb -0.23 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2a36 s ALA 39 CO 0.05 -0.19 -0.23 -2.00 0.00 0.00 0.00 175.76 173.39 2a36 s GLU 40 N -4.05 1.23 -0.29 0.00 2.12 0.03 0.56 118.70 118.31 2a36 s GLU 40 Ca 0.45 -1.20 -0.09 0.00 0.36 0.00 0.00 54.97 54.49 2a36 s GLU 40 Cb -0.01 -1.55 0.13 0.00 0.26 0.00 0.00 34.13 32.95 2a36 s GLU 40 CO 0.26 0.37 0.62 -1.17 -0.54 0.00 0.00 175.26 174.79 2a36 s LEU 41 N -1.89 -1.08 -0.43 2.70 2.96 -0.39 -2.49 118.68 118.06 2a36 s LEU 41 Ca 0.09 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 2a36 s LEU 41 Cb -0.10 2.17 0.00 0.00 0.50 0.00 0.00 46.19 48.76 2a36 s LEU 41 CO 0.05 -0.22 0.00 -0.90 -1.32 0.00 0.00 176.35 173.95 2a36 n ASP 42 N 5.44 -1.14 0.00 3.68 5.68 -1.26 -0.42 116.55 128.53 2a36 n ASP 42 Ca -0.11 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2a36 n ASP 42 Cb 0.49 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 2a36 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a36 n GLY 43 N -0.11 1.17 3.22 6.12 0.00 -1.26 -5.12 105.19 109.21 2a36 n GLY 43 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2a36 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a36 s LYS 44 N -0.15 2.90 -0.31 1.61 2.47 0.44 -5.10 119.74 121.60 2a36 s LYS 44 Ca 0.00 -0.86 -0.14 0.00 -1.56 0.00 0.00 55.97 53.40 2a36 s LYS 44 Cb 0.00 -2.24 -0.03 0.00 -1.46 0.00 0.00 37.83 34.11 2a36 s LYS 44 CO 0.00 0.21 0.33 -2.00 0.16 0.00 0.00 175.35 174.05 2a36 s GLU 45 N 0.26 3.74 0.30 4.03 -6.30 -1.26 -1.26 118.70 118.21 2a36 s GLU 45 Ca -0.16 -0.30 -0.02 0.00 -2.50 0.00 0.00 54.97 51.98 2a36 s GLU 45 Cb -0.17 -3.74 -0.01 0.00 0.00 0.00 0.00 34.13 30.20 2a36 s GLU 45 CO 0.08 -0.40 0.38 0.20 0.02 0.00 0.00 175.26 175.54 2a36 s GLY 46 N 1.71 1.45 0.09 -1.50 0.00 0.19 -4.91 107.32 104.36 2a36 s GLY 46 Ca 0.11 -1.53 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 2a36 s GLY 46 CO 0.11 -1.09 0.43 1.08 0.00 0.00 0.00 173.10 173.63 2a36 s LEU 47 N -3.21 4.35 -0.04 0.66 1.43 0.61 0.11 118.68 122.60 2a36 s LEU 47 Ca 0.32 0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.21 2a36 s LEU 47 Cb 0.01 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.23 2a36 s LEU 47 CO 0.18 0.17 0.18 0.27 0.23 0.00 0.00 176.35 177.38 2a36 s ILE 48 N -1.39 0.03 -0.01 -0.59 -4.36 -0.49 0.85 121.20 115.23 2a36 s ILE 48 Ca 0.33 -0.27 -0.37 0.00 -0.26 0.00 0.00 60.65 60.08 2a36 s ILE 48 Cb -0.14 -0.35 -0.16 0.00 1.25 0.00 0.00 42.46 43.05 2a36 s ILE 48 CO 0.18 -0.15 1.47 -0.81 0.24 0.00 0.00 174.94 175.87 2a36 n PRO 49 N 2.33 1.22 0.07 0.37 -0.04 -1.26 -2.65 135.00 135.04 2a36 n PRO 49 Ca -0.17 0.44 -0.21 0.00 -0.04 0.00 0.00 63.50 63.52 2a36 n PRO 49 Cb 0.57 -2.11 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 2a36 n PRO 49 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2a36 h SER 50 N 5.46 0.80 0.65 3.54 0.02 -1.29 -3.32 113.55 119.40 2a36 h SER 50 Ca -0.47 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.66 2a36 h SER 50 Cb 1.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2a36 h SER 50 CO 0.84 1.53 0.00 0.59 -1.14 0.00 0.00 176.83 178.64 2a36 n ASN 51 N -3.90 0.55 -0.60 3.07 3.02 -1.26 -1.85 115.26 114.28 2a36 n ASN 51 Ca -0.13 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 2a36 n ASN 51 Cb 0.91 -0.75 0.41 0.00 -0.61 0.00 0.00 39.78 39.74 2a36 n ASN 51 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2a36 n TYR 52 N -2.11 0.04 -4.05 3.10 4.02 -1.25 -4.91 117.16 112.01 2a36 n TYR 52 Ca 0.02 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2a36 n TYR 52 Cb 0.21 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.44 2a36 n TYR 52 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 2a36 s ILE 53 N -1.96 0.11 0.03 -0.72 -1.16 -0.77 -0.46 121.20 116.27 2a36 s ILE 53 Ca 0.35 -1.65 -0.08 0.00 -0.51 0.00 0.00 60.65 58.77 2a36 s ILE 53 Cb 0.20 -1.83 -0.00 0.00 0.61 0.00 0.00 42.46 41.45 2a36 s ILE 53 CO 0.32 -0.51 0.15 -1.61 -2.81 0.00 0.00 174.94 170.48 2a36 s GLU 54 N -3.98 0.61 0.09 3.50 2.02 0.34 -4.89 118.70 116.39 2a36 s GLU 54 Ca 0.17 -0.60 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 2a36 s GLU 54 Cb 0.06 0.25 -0.11 0.00 0.10 0.00 0.00 34.13 34.43 2a36 s GLU 54 CO -0.02 -0.16 1.86 -0.12 0.02 0.00 0.00 175.26 176.84 2a36 n MET 55 N 0.92 2.74 -0.04 1.61 1.56 -1.26 -1.23 117.12 121.42 2a36 n MET 55 Ca -0.20 1.00 0.12 0.00 -0.27 0.00 0.00 57.70 58.35 2a36 n MET 55 Cb 0.58 -2.90 0.50 0.00 2.15 0.00 0.00 33.22 33.55 2a36 n MET 55 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2a36 n LYS 56 N 5.98 1.52 -2.23 2.12 4.81 -1.23 -4.11 118.16 125.02 2a36 n LYS 56 Ca 0.19 -0.78 -0.35 0.00 -0.87 0.00 0.00 58.31 56.50 2a36 n LYS 56 Cb 0.37 -1.41 0.02 0.00 0.02 0.00 0.00 35.03 34.03 2a36 n LYS 56 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2a36 n ASN 57 N -0.02 6.40 0.00 3.14 2.85 -1.21 -4.35 115.26 122.06 2a36 n ASN 57 Ca 0.17 -3.78 0.00 0.00 -0.11 0.00 0.00 54.58 50.86 2a36 n ASN 57 Cb 0.27 -0.84 0.00 0.00 1.24 0.00 0.00 39.78 40.45 2a36 n ASN 57 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2a36 n HIS 58 N -0.46 0.00 -0.44 1.20 8.25 -1.26 -5.07 115.22 117.44 2a36 n HIS 58 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2a36 n HIS 58 Cb 0.39 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2a36 n HIS 58 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73