#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bh4 s GLY 3 N 0.00 2.93 -0.36 8.31 0.00 -1.26 -4.92 107.32 112.01 2bh4 s GLY 3 Ca 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 44.72 46.03 2bh4 s GLY 3 CO 0.00 1.98 0.15 -0.35 0.00 0.00 0.00 173.10 174.88 2bh4 s ASP 4 N -0.56 5.36 0.50 1.64 -1.08 -1.26 -4.88 116.67 116.39 2bh4 s ASP 4 Ca 0.58 -1.35 0.23 0.00 -0.52 0.00 0.00 52.55 51.48 2bh4 s ASP 4 Cb -0.41 -1.88 1.32 0.00 -1.46 0.00 0.00 42.92 40.48 2bh4 s ASP 4 CO 0.54 -0.40 2.05 0.00 0.52 0.00 0.00 175.17 177.88 2bh4 h ALA 5 N 8.23 1.43 -0.31 3.66 0.00 -1.84 -0.66 119.26 129.78 2bh4 h ALA 5 Ca -0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2bh4 h ALA 5 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2bh4 h ALA 5 CO 0.65 0.17 -0.14 0.00 0.00 0.00 0.00 179.25 179.93 2bh4 h ALA 6 N 1.86 0.43 -0.60 0.00 0.00 -1.94 -0.86 119.26 118.15 2bh4 h ALA 6 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2bh4 h ALA 6 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2bh4 h ALA 6 CO 0.02 0.32 0.02 0.87 0.00 0.00 0.00 179.25 180.48 2bh4 h LYS 7 N 0.40 1.04 -0.94 0.00 1.57 -1.79 -3.10 116.57 113.76 2bh4 h LYS 7 Ca 0.07 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2bh4 h LYS 7 Cb 0.66 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 2bh4 h LYS 7 CO 0.04 1.01 0.62 0.78 -0.57 0.00 0.00 179.45 181.33 2bh4 h GLY 8 N 1.01 1.34 0.76 3.86 0.00 -0.85 -1.98 103.07 107.20 2bh4 h GLY 8 Ca 0.18 -0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.09 2bh4 h GLY 8 CO 0.03 0.42 0.53 -2.09 0.00 0.00 0.00 176.54 175.43 2bh4 h GLU 9 N 1.21 0.96 -0.32 4.80 4.81 -1.08 -0.64 114.58 124.32 2bh4 h GLU 9 Ca 0.36 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2bh4 h GLU 9 Cb -0.04 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2bh4 h GLU 9 CO -0.10 0.63 -0.07 0.87 -0.73 0.00 0.00 179.01 179.61 2bh4 h LYS 10 N 0.99 0.61 0.00 1.92 1.57 -1.47 -2.97 116.57 117.22 2bh4 h LYS 10 Ca 0.37 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2bh4 h LYS 10 Cb 0.13 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2bh4 h LYS 10 CO -0.16 0.79 -0.10 0.93 -0.57 0.00 0.00 179.45 180.33 2bh4 h GLU 11 N 0.39 0.00 0.00 3.15 4.39 -0.93 -1.48 114.58 120.10 2bh4 h GLU 11 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2bh4 h GLU 11 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2bh4 h GLU 11 CO 0.03 0.10 0.00 0.34 -1.16 0.00 0.00 179.01 178.33 2bh4 n PHE 12 N -3.73 0.74 0.28 4.33 7.35 -0.29 -1.37 117.46 124.77 2bh4 n PHE 12 Ca -0.02 0.34 0.18 0.00 -0.76 0.00 0.00 57.45 57.19 2bh4 n PHE 12 Cb 0.21 -1.04 0.97 0.00 0.35 0.00 0.00 39.48 39.96 2bh4 n PHE 12 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2bh4 h ASN 13 N 0.00 0.00 0.87 -2.13 2.35 -1.37 0.66 115.58 115.96 2bh4 h ASN 13 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bh4 h ASN 13 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2bh4 h ASN 13 CO 0.00 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 2bh4 n LYS 14 N -3.50 0.05 -0.05 0.81 5.02 -0.47 -3.76 118.16 116.26 2bh4 n LYS 14 Ca -0.01 0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 2bh4 n LYS 14 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 2bh4 n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bh4 n LYS 16 N -2.34 0.22 -0.20 0.00 2.85 -0.69 -1.43 118.16 116.57 2bh4 n LYS 16 Ca -0.16 0.38 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 2bh4 n LYS 16 Cb 0.75 -1.87 0.36 0.00 -0.65 0.00 0.00 35.03 33.63 2bh4 n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2bh4 h ALA 17 N 2.32 1.75 0.00 0.58 0.00 -1.85 -0.65 119.26 121.41 2bh4 h ALA 17 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2bh4 h ALA 17 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2bh4 h ALA 17 CO 0.00 0.10 -1.91 0.00 0.00 0.00 0.00 179.25 177.44 2bh4 s HIS 19 N -2.38 2.33 0.37 0.00 3.76 -0.52 -0.53 115.29 118.33 2bh4 s HIS 19 Ca -0.07 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.50 2bh4 s HIS 19 Cb 0.04 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 2bh4 s HIS 19 CO 0.56 0.07 0.35 0.00 -0.85 0.00 0.00 174.74 174.87 2bh4 s MET 20 N -1.03 2.67 -0.30 1.40 0.23 -1.11 -3.67 119.30 117.49 2bh4 s MET 20 Ca 0.11 -1.38 0.01 0.00 -1.03 0.00 0.00 55.69 53.41 2bh4 s MET 20 Cb -0.10 -2.47 0.09 0.00 -1.53 0.00 0.00 34.83 30.82 2bh4 s MET 20 CO 0.01 -0.04 0.05 0.08 -2.03 0.00 0.00 175.02 173.09 2bh4 s VAL 21 N -2.37 1.49 -0.07 5.16 1.01 -0.56 -1.35 120.40 123.71 2bh4 s VAL 21 Ca 0.45 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.76 2bh4 s VAL 21 Cb -0.05 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2bh4 s VAL 21 CO 0.28 -0.53 -0.08 -1.58 0.00 0.00 0.00 175.10 173.19 2bh4 s GLN 22 N 1.33 1.36 0.74 2.72 0.74 -1.26 -0.14 119.66 125.14 2bh4 s GLN 22 Ca 0.07 -0.26 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 2bh4 s GLN 22 Cb -0.18 -1.26 0.04 0.00 1.10 0.00 0.00 33.01 32.70 2bh4 s GLN 22 CO -0.15 -0.09 1.10 0.00 -0.55 0.00 0.00 175.29 175.60 2bh4 s ALA 23 N 1.04 2.33 0.62 1.58 0.00 0.28 -4.64 121.76 122.98 2bh4 s ALA 23 Ca -0.08 0.34 0.30 0.00 0.00 0.00 0.00 51.96 52.52 2bh4 s ALA 23 Cb -0.14 -3.28 1.65 0.00 0.00 0.00 0.00 23.12 21.35 2bh4 s ALA 23 CO -0.00 -1.60 2.00 -1.35 0.00 0.00 0.00 175.76 174.80 2bh4 h PRO 24 N -0.77 0.00 -0.21 0.00 0.11 -1.98 0.88 132.00 130.03 2bh4 h PRO 24 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2bh4 h PRO 24 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bh4 h PRO 24 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 2bh4 n ASP 25 N -3.38 1.41 0.00 -2.05 5.75 -1.26 -4.91 116.55 112.10 2bh4 n ASP 25 Ca 0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 2bh4 n ASP 25 Cb 0.42 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2bh4 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bh4 n GLY 26 N 0.99 0.99 3.68 6.12 0.00 0.30 -5.04 105.19 112.25 2bh4 n GLY 26 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2bh4 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bh4 s THR 27 N -2.58 3.37 -0.10 2.61 2.01 -1.25 -4.75 115.64 114.95 2bh4 s THR 27 Ca 0.00 0.71 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2bh4 s THR 27 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2bh4 s THR 27 CO 0.00 -0.02 1.16 -1.81 -0.69 0.00 0.00 174.62 173.27 2bh4 s ASP 28 N 2.53 7.07 -0.19 3.53 1.01 -1.26 -0.56 116.67 128.79 2bh4 s ASP 28 Ca 0.71 1.70 -0.22 0.00 0.71 0.00 0.00 52.55 55.45 2bh4 s ASP 28 Cb -0.36 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 40.83 2bh4 s ASP 28 CO 0.30 -0.60 0.30 0.40 0.21 0.00 0.00 175.17 175.78 2bh4 h ILE 29 N 5.16 1.02 -3.35 0.77 1.08 -0.91 -3.45 117.51 117.83 2bh4 h ILE 29 Ca -0.31 -2.11 -0.55 0.00 -0.39 0.00 0.00 64.86 61.50 2bh4 h ILE 29 Cb 1.14 2.27 -0.38 0.00 -3.07 0.00 0.00 36.82 36.78 2bh4 h ILE 29 CO 0.90 0.35 -0.79 -0.69 -0.69 0.00 0.00 178.15 177.23 2bh4 s VAL 30 N -2.31 1.07 0.18 1.67 1.01 -0.47 -4.99 120.40 116.57 2bh4 s VAL 30 Ca -0.25 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 2bh4 s VAL 30 Cb 0.04 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 2bh4 s VAL 30 CO 0.58 0.08 1.44 -0.75 0.00 0.00 0.00 175.10 176.45 2bh4 s LYS 31 N 1.64 4.29 0.23 2.72 2.47 -1.26 -1.50 119.74 128.33 2bh4 s LYS 31 Ca 0.00 2.21 -0.09 0.00 -1.56 0.00 0.00 55.97 56.54 2bh4 s LYS 31 Cb -0.16 -3.17 0.03 0.00 -1.46 0.00 0.00 37.83 33.07 2bh4 s LYS 31 CO -0.08 -0.45 0.46 0.41 0.16 0.00 0.00 175.35 175.85 2bh4 n GLY 32 N 3.02 1.41 3.07 5.54 0.00 -1.26 -4.91 105.19 112.06 2bh4 n GLY 32 Ca 0.10 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2bh4 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bh4 n GLY 33 N -0.31 -1.95 0.00 -0.02 0.00 -0.25 -4.49 105.19 98.16 2bh4 n GLY 33 Ca -0.05 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2bh4 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bh4 n LYS 34 N -3.70 1.55 -0.25 1.61 5.02 -1.14 -2.76 118.16 118.49 2bh4 n LYS 34 Ca 0.13 -1.03 -0.03 0.00 -2.02 0.00 0.00 58.31 55.36 2bh4 n LYS 34 Cb 0.48 -0.84 0.14 0.00 -0.02 0.00 0.00 35.03 34.79 2bh4 n LYS 34 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2bh4 h THR 35 N 0.84 1.24 -1.85 -0.18 2.02 -1.73 -3.42 112.91 109.83 2bh4 h THR 35 Ca 0.00 -0.70 -0.54 0.00 0.77 0.00 0.00 66.41 65.94 2bh4 h THR 35 Cb 0.57 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 2bh4 h THR 35 CO 0.00 0.29 -0.53 -0.83 0.37 0.00 0.00 175.52 174.83 2bh4 s GLY 36 N -3.41 1.98 0.72 2.16 0.00 0.32 -5.03 107.32 104.06 2bh4 s GLY 36 Ca -0.11 -1.85 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 2bh4 s GLY 36 CO 0.82 -1.76 1.08 2.56 0.00 0.00 0.00 173.10 175.79 2bh4 s PRO 37 N -3.86 2.66 0.20 2.90 0.04 -1.26 -4.55 135.00 131.12 2bh4 s PRO 37 Ca 0.38 1.08 -0.33 0.00 0.04 0.00 0.00 61.00 62.18 2bh4 s PRO 37 Cb -0.02 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 2bh4 s PRO 37 CO 0.23 -1.33 1.55 -1.71 0.04 0.00 0.00 177.00 175.78 2bh4 n ASN 38 N -3.20 3.15 -0.80 6.66 2.85 -1.26 -4.46 115.26 118.19 2bh4 n ASN 38 Ca 0.08 1.10 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 2bh4 n ASN 38 Cb 0.53 -1.45 0.07 0.00 1.24 0.00 0.00 39.78 40.17 2bh4 n ASN 38 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2bh4 n LEU 39 N 3.03 2.67 -4.67 1.20 4.77 -0.46 -4.85 117.00 118.69 2bh4 n LEU 39 Ca 0.15 -0.95 -0.44 0.00 -0.03 0.00 0.00 56.01 54.74 2bh4 n LEU 39 Cb 0.31 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2bh4 n LEU 39 CO 0.63 0.46 0.99 0.00 -1.33 0.00 0.00 177.39 178.14 2bh4 n TYR 40 N 0.97 2.17 -1.11 -1.77 4.19 -1.26 -2.05 117.16 118.30 2bh4 n TYR 40 Ca 0.12 0.45 -0.04 0.00 3.31 0.00 0.00 57.90 61.75 2bh4 n TYR 40 Cb 0.54 -2.45 -0.02 0.00 0.49 0.00 0.00 39.34 37.90 2bh4 n TYR 40 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2bh4 n GLY 41 N 1.97 0.57 0.20 2.98 0.00 -0.20 -4.91 105.19 105.79 2bh4 n GLY 41 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bh4 n GLY 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bh4 h VAL 42 N 0.00 1.28 -2.69 1.61 3.04 -1.68 -3.36 116.25 114.45 2bh4 h VAL 42 Ca -0.07 -1.37 -0.55 0.00 -1.01 0.00 0.00 66.70 63.69 2bh4 h VAL 42 Cb 0.59 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2bh4 h VAL 42 CO 0.11 0.41 1.05 -0.69 -1.01 0.00 0.00 177.57 177.44 2bh4 s VAL 43 N -4.23 3.74 0.00 1.51 1.01 -1.26 -1.30 120.40 119.87 2bh4 s VAL 43 Ca -0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2bh4 s VAL 43 Cb 0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2bh4 s VAL 43 CO 0.76 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2bh4 n GLY 44 N 4.08 0.77 3.76 4.51 0.00 0.34 -4.49 105.19 114.17 2bh4 n GLY 44 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2bh4 n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bh4 s ARG 45 N -0.41 4.58 0.19 1.61 3.52 -0.42 -4.62 118.95 123.40 2bh4 s ARG 45 Ca 0.00 1.18 -0.32 0.00 -0.13 0.00 0.00 55.73 56.46 2bh4 s ARG 45 Cb 0.00 -3.31 -0.15 0.00 -1.56 0.00 0.00 34.95 29.93 2bh4 s ARG 45 CO 0.00 0.44 1.21 1.17 -0.81 0.00 0.00 175.30 177.30 2bh4 n LYS 46 N 2.11 1.35 -1.64 5.12 4.81 -1.26 -0.86 118.16 127.78 2bh4 n LYS 46 Ca -0.04 0.48 -0.47 0.00 -0.87 0.00 0.00 58.31 57.42 2bh4 n LYS 46 Cb 0.49 -2.00 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 2bh4 n LYS 46 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2bh4 n ILE 47 N 1.52 0.58 -3.73 3.15 2.08 -1.01 -3.28 119.36 118.67 2bh4 n ILE 47 Ca 0.14 -0.14 -0.26 0.00 0.56 0.00 0.00 62.75 63.05 2bh4 n ILE 47 Cb 0.26 -1.30 0.03 0.00 -0.75 0.00 0.00 39.64 37.88 2bh4 n ILE 47 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2bh4 n ALA 48 N 2.29 -2.26 -0.22 -1.39 0.00 -1.26 -4.75 120.51 112.93 2bh4 n ALA 48 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2bh4 n ALA 48 Cb 0.28 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.81 2bh4 n ALA 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bh4 n SER 49 N -2.90 1.42 -4.68 0.00 3.41 -1.21 -4.97 113.62 104.69 2bh4 n SER 49 Ca -0.21 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 2bh4 n SER 49 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 2bh4 n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bh4 s VAL 50 N -0.64 3.68 0.11 -3.33 1.01 -1.26 -4.92 120.40 115.05 2bh4 s VAL 50 Ca 0.00 1.01 -0.35 0.00 0.00 0.00 0.00 61.98 62.64 2bh4 s VAL 50 Cb 0.00 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 2bh4 s VAL 50 CO 0.00 -0.03 1.56 1.21 0.00 0.00 0.00 175.10 177.85 2bh4 n GLU 51 N 5.85 1.94 0.00 2.72 2.13 -1.26 -2.33 120.64 129.69 2bh4 n GLU 51 Ca 0.14 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2bh4 n GLU 51 Cb 0.43 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2bh4 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bh4 n GLY 52 N 3.35 2.67 3.73 8.31 0.00 -1.26 -5.01 105.19 116.97 2bh4 n GLY 52 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2bh4 n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bh4 s PHE 53 N -2.28 3.73 -0.79 1.61 5.36 -0.98 -4.98 117.98 119.65 2bh4 s PHE 53 Ca 0.00 1.72 -0.19 0.00 -0.96 0.00 0.00 56.93 57.50 2bh4 s PHE 53 Cb 0.00 -3.13 0.12 0.00 -0.34 0.00 0.00 43.02 39.67 2bh4 s PHE 53 CO 0.00 -0.09 0.96 0.15 -1.46 0.00 0.00 175.22 174.78 2bh4 s LYS 54 N -0.05 3.37 0.56 10.12 3.01 -1.26 -4.95 119.74 130.54 2bh4 s LYS 54 Ca 0.48 -1.52 -0.15 0.00 -1.01 0.00 0.00 55.97 53.77 2bh4 s LYS 54 Cb -0.25 -4.57 -0.06 0.00 -1.01 0.00 0.00 37.83 31.94 2bh4 s LYS 54 CO 0.31 -1.69 1.02 0.71 0.51 0.00 0.00 175.35 176.21 2bh4 s TYR 55 N 2.76 3.33 0.82 3.18 2.02 -1.26 -5.07 117.35 123.13 2bh4 s TYR 55 Ca 0.24 1.45 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 2bh4 s TYR 55 Cb -0.12 -2.84 0.08 0.00 -0.40 0.00 0.00 41.96 38.68 2bh4 s TYR 55 CO -0.02 -0.66 1.09 0.20 -1.57 0.00 0.00 175.55 174.59 2bh4 s GLY 56 N -3.19 1.63 0.25 0.71 0.00 -1.26 -4.92 107.32 100.53 2bh4 s GLY 56 Ca 0.60 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.14 2bh4 s GLY 56 CO 0.37 0.30 1.77 -0.55 0.00 0.00 0.00 173.10 174.99 2bh4 h ASP 57 N -1.20 0.87 -0.07 1.64 3.32 -1.97 -2.82 116.42 116.20 2bh4 h ASP 57 Ca -0.47 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 2bh4 h ASP 57 Cb 1.27 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2bh4 h ASP 57 CO 0.58 0.87 0.02 1.23 -1.72 0.00 0.00 179.24 180.22 2bh4 h GLY 58 N 1.01 0.11 1.70 2.75 0.00 -1.52 -0.96 103.07 106.16 2bh4 h GLY 58 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2bh4 h GLY 58 CO 0.01 0.06 -0.24 1.19 0.00 0.00 0.00 176.54 177.56 2bh4 h ILE 59 N -0.08 1.25 -0.49 2.60 2.10 -1.71 -1.28 117.51 119.90 2bh4 h ILE 59 Ca 0.02 -1.16 -0.06 0.00 1.08 0.00 0.00 64.86 64.74 2bh4 h ILE 59 Cb 0.20 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 2bh4 h ILE 59 CO -0.00 0.36 0.05 -0.07 -1.08 0.00 0.00 178.15 177.42 2bh4 h LEU 60 N 0.32 0.74 -0.69 2.19 3.38 -1.35 -2.35 115.31 117.56 2bh4 h LEU 60 Ca 0.05 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2bh4 h LEU 60 Cb 0.60 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2bh4 h LEU 60 CO 0.04 0.78 -0.20 -0.08 0.09 0.00 0.00 178.44 179.07 2bh4 h GLU 61 N 0.75 0.80 -0.21 1.13 4.81 -0.53 0.63 114.58 121.95 2bh4 h GLU 61 Ca 0.15 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2bh4 h GLU 61 Cb 0.37 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2bh4 h GLU 61 CO 0.01 0.94 0.01 0.28 -0.73 0.00 0.00 179.01 179.52 2bh4 h VAL 62 N 0.70 0.87 -0.44 0.32 2.07 -0.99 -1.05 116.25 117.73 2bh4 h VAL 62 Ca 0.10 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2bh4 h VAL 62 Cb 0.72 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2bh4 h VAL 62 CO 0.06 0.02 0.01 0.00 0.02 0.00 0.00 177.57 177.67 2bh4 h ALA 63 N 1.17 0.58 -0.65 1.67 0.00 -1.13 -2.21 119.26 118.71 2bh4 h ALA 63 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bh4 h ALA 63 Cb 0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2bh4 h ALA 63 CO -0.16 0.36 0.42 1.49 0.00 0.00 0.00 179.25 181.37 2bh4 h GLU 64 N 0.60 0.84 0.00 0.00 4.81 -0.59 -2.80 114.58 117.43 2bh4 h GLU 64 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2bh4 h GLU 64 Cb 0.47 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2bh4 h GLU 64 CO 0.02 0.55 -0.30 1.63 -0.73 0.00 0.00 179.01 180.18 2bh4 n LYS 65 N -4.65 0.11 -3.34 1.92 5.02 -0.42 -4.25 118.16 112.56 2bh4 n LYS 65 Ca 0.05 0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 2bh4 n LYS 65 Cb 0.03 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.36 2bh4 n LYS 65 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bh4 n ASN 66 N -1.77 0.89 0.15 4.39 3.02 -0.84 -4.99 115.26 116.12 2bh4 n ASN 66 Ca 0.05 -2.79 0.17 0.00 -0.03 0.00 0.00 54.58 51.98 2bh4 n ASN 66 Cb 0.38 -0.63 0.76 0.00 -0.61 0.00 0.00 39.78 39.68 2bh4 n ASN 66 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2bh4 h PRO 67 N 4.54 0.00 -0.02 3.52 0.11 -1.71 -0.79 132.00 137.64 2bh4 h PRO 67 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2bh4 h PRO 67 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2bh4 h PRO 67 CO 0.53 0.00 -0.03 -0.40 -0.21 0.00 0.00 178.00 177.89 2bh4 n ASP 68 N -4.04 1.91 -4.73 -2.05 5.75 -1.26 -4.95 116.55 107.19 2bh4 n ASP 68 Ca 0.03 -1.61 -0.42 0.00 -0.01 0.00 0.00 54.79 52.79 2bh4 n ASP 68 Cb 0.39 0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 2bh4 n ASP 68 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2bh4 s MET 69 N -2.04 4.43 0.30 0.11 1.75 -0.30 -5.02 119.30 118.52 2bh4 s MET 69 Ca 0.34 1.91 0.05 0.00 -1.25 0.00 0.00 55.69 56.74 2bh4 s MET 69 Cb 0.21 -3.27 -0.06 0.00 2.84 0.00 0.00 34.83 34.55 2bh4 s MET 69 CO 0.34 -0.23 -0.00 0.14 -0.65 0.00 0.00 175.02 174.62 2bh4 s VAL 70 N 0.53 1.43 -0.68 10.11 -7.23 -1.26 -2.40 120.40 120.89 2bh4 s VAL 70 Ca 0.57 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.42 2bh4 s VAL 70 Cb -0.33 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.00 2bh4 s VAL 70 CO 0.33 -0.16 1.51 0.26 -0.31 0.00 0.00 175.10 176.73 2bh4 s TRP 71 N -3.14 2.05 0.63 2.82 0.52 -0.04 -4.80 118.94 116.98 2bh4 s TRP 71 Ca 0.33 0.29 -0.10 0.00 0.02 0.00 0.00 56.10 56.64 2bh4 s TRP 71 Cb 0.06 -4.41 -0.01 0.00 -1.15 0.00 0.00 33.47 27.96 2bh4 s TRP 71 CO 0.14 -2.16 1.01 -1.54 0.02 0.00 0.00 176.95 174.41 2bh4 s SER 72 N 5.41 5.82 0.29 2.95 1.04 -1.26 -0.50 113.70 127.44 2bh4 s SER 72 Ca 0.48 1.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.03 2bh4 s SER 72 Cb -0.10 -2.11 0.42 0.00 0.10 0.00 0.00 66.02 64.33 2bh4 s SER 72 CO 0.18 -1.06 1.94 -0.33 0.98 0.00 0.00 173.24 174.95 2bh4 h GLU 73 N -0.37 1.13 -0.37 4.02 5.08 -1.99 -0.44 114.58 121.64 2bh4 h GLU 73 Ca -0.45 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 2bh4 h GLU 73 Cb 1.23 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2bh4 h GLU 73 CO 0.62 0.74 0.03 0.00 -1.00 0.00 0.00 179.01 179.41 2bh4 h ALA 74 N 1.46 0.50 -0.47 3.43 0.00 -2.00 -1.30 119.26 120.88 2bh4 h ALA 74 Ca 0.35 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2bh4 h ALA 74 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bh4 h ALA 74 CO -0.10 0.24 -0.16 -0.44 0.00 0.00 0.00 179.25 178.78 2bh4 h ASP 75 N 0.47 0.92 -0.67 0.00 3.32 -1.88 -2.40 116.42 116.17 2bh4 h ASP 75 Ca 0.11 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2bh4 h ASP 75 Cb 0.41 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2bh4 h ASP 75 CO 0.01 1.07 0.43 -0.07 -1.72 0.00 0.00 179.24 178.97 2bh4 h LEU 76 N 0.81 0.79 -0.61 1.55 3.38 -0.84 0.41 115.31 120.79 2bh4 h LEU 76 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bh4 h LEU 76 Cb 0.70 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2bh4 h LEU 76 CO 0.05 0.59 0.37 0.40 0.09 0.00 0.00 178.44 179.94 2bh4 h ILE 77 N 0.91 1.18 -0.16 1.22 2.04 -1.02 0.25 117.51 121.93 2bh4 h ILE 77 Ca 0.24 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2bh4 h ILE 77 Cb -0.07 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2bh4 h ILE 77 CO -0.05 0.19 0.02 -0.33 0.00 0.00 0.00 178.15 177.98 2bh4 h GLU 78 N 0.83 0.28 -0.43 2.37 5.08 -1.08 -1.90 114.58 119.72 2bh4 h GLU 78 Ca 0.22 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2bh4 h GLU 78 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2bh4 h GLU 78 CO -0.04 0.46 0.17 -0.92 -1.00 0.00 0.00 179.01 177.68 2bh4 h TYR 79 N 0.05 0.64 -0.46 4.33 3.20 -0.68 -1.75 116.97 122.30 2bh4 h TYR 79 Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2bh4 h TYR 79 Cb 0.32 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2bh4 h TYR 79 CO 0.02 0.56 0.23 0.28 -1.64 0.00 0.00 178.16 177.61 2bh4 h VAL 80 N 0.54 1.16 -0.38 1.81 2.07 -0.95 -1.65 116.25 118.86 2bh4 h VAL 80 Ca 0.14 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 2bh4 h VAL 80 Cb 0.18 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2bh4 h VAL 80 CO -0.01 0.18 -0.10 0.74 0.02 0.00 0.00 177.57 178.40 2bh4 h THR 81 N 0.64 1.28 -0.81 2.57 2.02 -0.81 -1.40 112.91 116.40 2bh4 h THR 81 Ca 0.16 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 2bh4 h THR 81 Cb 0.06 1.27 -0.19 0.00 -1.74 0.00 0.00 68.15 67.56 2bh4 h THR 81 CO -0.02 0.39 -0.37 -0.62 0.37 0.00 0.00 175.52 175.27 2bh4 s ASP 82 N -6.35 -1.25 0.20 4.18 -1.08 -0.71 -3.55 116.67 108.11 2bh4 s ASP 82 Ca -0.13 -0.64 -0.11 0.00 -0.52 0.00 0.00 52.55 51.16 2bh4 s ASP 82 Cb 0.10 1.60 0.17 0.00 -1.46 0.00 0.00 42.92 43.33 2bh4 s ASP 82 CO 0.81 -0.14 1.85 -0.65 0.52 0.00 0.00 175.17 177.57 2bh4 h PRO 83 N 6.63 0.85 0.28 4.34 0.11 -1.51 -3.17 132.00 139.52 2bh4 h PRO 83 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 2bh4 h PRO 83 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2bh4 h PRO 83 CO 0.06 0.57 -0.13 -0.22 -0.21 0.00 0.00 178.00 178.06 2bh4 h LYS 84 N 0.88 -0.36 0.00 1.05 1.63 -1.85 -2.27 116.57 115.65 2bh4 h LYS 84 Ca 0.27 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.07 2bh4 h LYS 84 Cb -0.02 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2bh4 h LYS 84 CO -0.09 -0.18 -0.14 -1.00 -3.45 0.00 0.00 179.45 174.59 2bh4 h PRO 85 N -0.45 0.00 -0.41 1.90 0.13 -1.98 -0.93 132.00 130.25 2bh4 h PRO 85 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2bh4 h PRO 85 Cb 0.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 2bh4 h PRO 85 CO 0.06 0.14 0.24 2.35 -0.23 0.00 0.00 178.00 180.56 2bh4 h TRP 86 N 0.00 0.54 -0.60 1.56 7.01 -1.45 0.44 115.95 123.46 2bh4 h TRP 86 Ca -0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2bh4 h TRP 86 Cb 0.34 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 2bh4 h TRP 86 CO 0.00 0.40 0.27 -0.07 -2.79 0.00 0.00 178.44 176.25 2bh4 h LEU 87 N 0.53 0.80 -0.63 0.65 3.38 -0.76 -1.34 115.31 117.95 2bh4 h LEU 87 Ca 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bh4 h LEU 87 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2bh4 h LEU 87 CO -0.03 0.72 0.39 0.58 0.09 0.00 0.00 178.44 180.20 2bh4 h VAL 88 N 0.82 1.18 -0.32 1.22 2.07 -0.98 -0.44 116.25 119.81 2bh4 h VAL 88 Ca 0.20 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2bh4 h VAL 88 Cb 0.15 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2bh4 h VAL 88 CO -0.02 0.18 0.16 -0.08 0.02 0.00 0.00 177.57 177.82 2bh4 h GLU 89 N 0.85 0.32 0.00 1.57 4.81 -0.54 0.33 114.58 121.91 2bh4 h GLU 89 Ca 0.23 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 2bh4 h GLU 89 Cb -0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2bh4 h GLU 89 CO -0.04 0.21 -0.83 0.87 -0.73 0.00 0.00 179.01 178.48 2bh4 h LYS 90 N 0.33 0.00 0.00 1.92 1.79 -1.01 -3.27 116.57 116.33 2bh4 h LYS 90 Ca 0.13 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 2bh4 h LYS 90 Cb 0.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2bh4 h LYS 90 CO -0.09 0.83 -1.29 1.79 -1.08 0.00 0.00 179.45 179.61 2bh4 h THR 91 N 0.00 0.60 -0.21 -0.16 1.35 -1.05 -3.47 112.91 109.97 2bh4 h THR 91 Ca -0.01 -2.10 -0.09 0.00 -0.55 0.00 0.00 66.41 63.66 2bh4 h THR 91 Cb 1.54 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 70.06 2bh4 h THR 91 CO 0.11 0.34 -0.08 0.61 -0.25 0.00 0.00 175.52 176.25 2bh4 n GLY 92 N 1.38 0.72 3.06 5.82 0.00 0.10 -5.01 105.19 111.26 2bh4 n GLY 92 Ca -0.08 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2bh4 n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bh4 s ASP 93 N -2.71 4.42 0.65 1.61 -1.08 -1.20 -4.99 116.67 113.36 2bh4 s ASP 93 Ca 0.00 -1.39 0.40 0.00 -0.52 0.00 0.00 52.55 51.05 2bh4 s ASP 93 Cb 0.00 -1.53 2.26 0.00 -1.46 0.00 0.00 42.92 42.18 2bh4 s ASP 93 CO 0.00 -0.19 2.34 0.77 0.52 0.00 0.00 175.17 178.61 2bh4 h SER 94 N 7.78 0.00 -0.61 -0.34 4.64 -1.95 -1.86 113.55 121.20 2bh4 h SER 94 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2bh4 h SER 94 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2bh4 h SER 94 CO 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 2bh4 n ALA 95 N -2.15 3.38 -1.60 5.18 0.00 -1.26 -5.00 120.51 119.06 2bh4 n ALA 95 Ca -0.03 -1.75 -0.50 0.00 0.00 0.00 0.00 53.44 51.17 2bh4 n ALA 95 Cb 0.07 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 2bh4 n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bh4 n ALA 96 N 0.89 -0.45 -2.46 0.00 0.00 -0.70 -4.93 120.51 112.87 2bh4 n ALA 96 Ca 0.26 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.81 2bh4 n ALA 96 Cb 1.01 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 2bh4 n ALA 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2bh4 s LYS 97 N 0.18 4.10 0.01 0.00 1.02 -1.26 -4.90 119.74 118.89 2bh4 s LYS 97 Ca 0.79 0.54 0.05 0.00 0.02 0.00 0.00 55.97 57.37 2bh4 s LYS 97 Cb -0.86 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 2bh4 s LYS 97 CO 0.48 0.58 -0.15 -0.08 -0.92 0.00 0.00 175.35 175.25 2bh4 s THR 98 N -0.78 1.17 -2.29 2.17 -1.32 -1.26 -1.24 115.64 112.09 2bh4 s THR 98 Ca 0.26 -0.81 0.23 0.00 -1.21 0.00 0.00 61.69 60.17 2bh4 s THR 98 Cb -0.17 -1.01 0.52 0.00 -1.51 0.00 0.00 72.50 70.33 2bh4 s THR 98 CO 0.15 0.19 1.67 0.29 -2.21 0.00 0.00 174.62 174.71 2bh4 n LYS 99 N 2.34 1.58 -3.48 7.08 5.02 -1.26 -4.90 118.16 124.54 2bh4 n LYS 99 Ca -0.16 -0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 55.12 2bh4 n LYS 99 Cb 0.55 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 2bh4 n LYS 99 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2bh4 s LYS 100 N -1.89 1.11 0.00 1.97 -2.85 -1.26 -5.06 119.74 111.75 2bh4 s LYS 100 Ca 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2bh4 s LYS 100 Cb 0.18 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.47 2bh4 s LYS 100 CO 0.29 -0.41 0.00 0.25 0.10 0.00 0.00 175.35 175.57 2bh4 n THR 101 N 0.34 0.00 -1.61 3.79 -2.24 -1.26 -4.61 114.28 108.69 2bh4 n THR 101 Ca -0.17 -0.24 -0.61 0.00 -2.27 0.00 0.00 64.05 60.76 2bh4 n THR 101 Cb 0.60 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 2bh4 n THR 101 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2bh4 n PHE 102 N -0.48 1.22 -4.59 4.78 7.35 -1.26 -4.38 117.46 120.09 2bh4 n PHE 102 Ca 0.00 1.00 -0.33 0.00 -0.76 0.00 0.00 57.45 57.36 2bh4 n PHE 102 Cb 0.00 -2.19 -0.13 0.00 0.35 0.00 0.00 39.48 37.51 2bh4 n PHE 102 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2bh4 s LYS 103 N 1.33 3.43 -0.25 -4.13 1.02 -1.26 -4.44 119.74 115.43 2bh4 s LYS 103 Ca 0.96 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2bh4 s LYS 103 Cb -1.30 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 33.21 2bh4 s LYS 103 CO 0.65 0.29 0.18 -1.17 -0.92 0.00 0.00 175.35 174.38 2bh4 s LEU 104 N 0.19 4.09 0.12 3.17 2.96 -0.53 -4.98 118.68 123.71 2bh4 s LEU 104 Ca -0.05 0.09 0.23 0.00 -0.22 0.00 0.00 54.13 54.19 2bh4 s LEU 104 Cb -0.14 -2.13 0.14 0.00 0.50 0.00 0.00 46.19 44.55 2bh4 s LEU 104 CO 0.04 0.02 1.13 0.61 -1.32 0.00 0.00 176.35 176.83 2bh4 n GLY 105 N 4.50 -1.36 3.45 7.98 0.00 -1.26 -4.36 105.19 114.13 2bh4 n GLY 105 Ca -0.14 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2bh4 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bh4 s LYS 106 N -3.25 1.29 -1.52 1.61 -2.85 -1.26 -4.94 119.74 108.83 2bh4 s LYS 106 Ca 0.03 -0.98 -0.01 0.00 -1.00 0.00 0.00 55.97 54.01 2bh4 s LYS 106 Cb 0.12 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 2bh4 s LYS 106 CO 0.77 -0.52 0.15 0.09 0.10 0.00 0.00 175.35 175.93 2bh4 n ASN 107 N -0.29 -5.41 -0.08 0.03 5.03 -1.26 -4.90 115.26 108.38 2bh4 n ASN 107 Ca -0.09 -0.08 -0.13 0.00 0.87 0.00 0.00 54.58 55.15 2bh4 n ASN 107 Cb 0.63 -4.41 -0.05 0.00 -1.02 0.00 0.00 39.78 34.93 2bh4 n ASN 107 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2bh4 h GLN 108 N -0.34 0.58 -0.36 3.52 7.50 -1.92 -1.90 115.11 122.20 2bh4 h GLN 108 Ca -0.45 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.40 2bh4 h GLN 108 Cb 1.32 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.84 2bh4 h GLN 108 CO 0.51 0.88 0.17 0.00 -1.50 0.00 0.00 178.83 178.88 2bh4 h ALA 109 N 0.69 1.62 -0.08 3.87 0.00 -1.93 -1.58 119.26 121.85 2bh4 h ALA 109 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bh4 h ALA 109 Cb 0.75 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2bh4 h ALA 109 CO 0.05 0.31 0.04 -0.44 0.00 0.00 0.00 179.25 179.21 2bh4 h ASP 110 N 0.50 0.11 -0.71 0.00 3.32 -1.72 -0.28 116.42 117.64 2bh4 h ASP 110 Ca 0.13 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2bh4 h ASP 110 Cb 0.07 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2bh4 h ASP 110 CO -0.02 0.20 0.28 0.58 -1.72 0.00 0.00 179.24 178.56 2bh4 h VAL 111 N 0.01 1.25 -0.46 -1.35 2.07 -1.02 -1.46 116.25 115.30 2bh4 h VAL 111 Ca 0.03 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2bh4 h VAL 111 Cb 0.12 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2bh4 h VAL 111 CO -0.00 0.32 -0.02 0.58 0.02 0.00 0.00 177.57 178.46 2bh4 h VAL 112 N 1.05 1.24 -0.73 2.57 2.07 -1.16 -0.59 116.25 120.71 2bh4 h VAL 112 Ca 0.24 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2bh4 h VAL 112 Cb 0.22 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2bh4 h VAL 112 CO -0.02 0.36 0.43 0.00 0.02 0.00 0.00 177.57 178.36 2bh4 h ALA 113 N 1.26 1.38 -0.34 1.67 0.00 -0.44 0.87 119.26 123.66 2bh4 h ALA 113 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2bh4 h ALA 113 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bh4 h ALA 113 CO 0.02 0.53 0.04 0.35 0.00 0.00 0.00 179.25 180.19 2bh4 h PHE 114 N 1.01 0.63 -0.73 0.00 3.57 -0.60 -0.47 116.94 120.35 2bh4 h PHE 114 Ca 0.26 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2bh4 h PHE 114 Cb -0.02 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2bh4 h PHE 114 CO 0.00 0.66 0.38 -0.07 -2.23 0.00 0.00 178.31 177.06 2bh4 h LEU 115 N 0.41 0.91 -0.68 0.59 3.38 -0.64 -2.53 115.31 116.75 2bh4 h LEU 115 Ca 0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2bh4 h LEU 115 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2bh4 h LEU 115 CO 0.01 0.74 -0.14 0.00 0.09 0.00 0.00 178.44 179.14 2bh4 h ALA 116 N 1.40 0.87 -0.81 1.53 0.00 -0.60 -2.28 119.26 119.37 2bh4 h ALA 116 Ca 0.26 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2bh4 h ALA 116 Cb 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2bh4 h ALA 116 CO -0.04 0.64 0.53 0.37 0.00 0.00 0.00 179.25 180.75 2bh4 h GLN 117 N 0.78 0.80 -0.95 0.00 4.15 -0.68 -1.32 115.11 117.89 2bh4 h GLN 117 Ca 0.12 -0.05 -0.44 0.00 0.77 0.00 0.00 58.65 59.05 2bh4 h GLN 117 Cb 0.67 -0.18 -0.27 0.00 0.21 0.00 0.00 27.48 27.91 2bh4 h GLN 117 CO 0.05 0.53 0.56 0.72 -1.93 0.00 0.00 178.83 178.76 2bh4 n HIS 118 N -4.50 2.91 -3.16 3.99 8.25 -0.96 -4.18 115.22 117.57 2bh4 n HIS 118 Ca 0.13 -1.68 -0.24 0.00 -0.26 0.00 0.00 57.72 55.67 2bh4 n HIS 118 Cb 0.27 -0.88 -0.05 0.00 1.12 0.00 0.00 29.99 30.44 2bh4 n HIS 118 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2bh4 n SER 119 N -0.90 2.60 0.16 0.41 7.64 -0.50 -1.04 113.62 122.00 2bh4 n SER 119 Ca 0.55 -3.28 0.12 0.00 1.01 0.00 0.00 58.87 57.27 2bh4 n SER 119 Cb 1.60 -0.61 0.56 0.00 -1.01 0.00 0.00 64.21 64.75 2bh4 n SER 119 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2bh4 h PRO 120 N 3.43 0.00 -0.28 1.43 0.13 -1.73 -2.27 132.00 132.71 2bh4 h PRO 120 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2bh4 h PRO 120 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2bh4 h PRO 120 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 2bh4 n ASP 121 N -2.30 3.63 -4.76 1.44 8.00 -1.26 -4.98 116.55 116.33 2bh4 n ASP 121 Ca 0.00 -2.77 -0.41 0.00 0.71 0.00 0.00 54.79 52.32 2bh4 n ASP 121 Cb 0.14 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 2bh4 n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bh4 s ALA 122 N -2.38 3.60 0.00 2.24 0.00 -0.86 -5.10 121.76 119.27 2bh4 s ALA 122 Ca 0.37 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2bh4 s ALA 122 Cb 0.29 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2bh4 s ALA 122 CO 0.10 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.47