#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hbp s LYS 4 N 0.00 2.45 -0.05 1.64 1.02 -1.26 -4.93 119.74 118.61 2hbp s LYS 4 Ca 0.00 -1.66 -0.04 0.00 0.02 0.00 0.00 55.97 54.29 2hbp s LYS 4 Cb 0.00 -2.35 0.01 0.00 -0.52 0.00 0.00 37.83 34.98 2hbp s LYS 4 CO 0.00 -0.37 0.08 -1.13 -0.92 0.00 0.00 175.35 173.01 2hbp n SER 5 N -1.68 -5.05 -4.75 2.83 3.41 -1.26 -4.97 113.62 102.15 2hbp n SER 5 Ca 0.04 1.48 -0.31 0.00 -0.26 0.00 0.00 58.87 59.82 2hbp n SER 5 Cb 0.62 -4.24 -0.08 0.00 -0.26 0.00 0.00 64.21 60.25 2hbp n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hbp s ARG 6 N -0.46 2.16 -0.49 4.33 1.70 0.55 -4.49 118.95 122.24 2hbp s ARG 6 Ca -0.09 -2.30 -0.18 0.00 -0.47 0.00 0.00 55.73 52.69 2hbp s ARG 6 Cb 0.01 -1.61 0.06 0.00 -0.57 0.00 0.00 34.95 32.83 2hbp s ARG 6 CO 0.24 -0.31 0.56 -1.17 -1.08 0.00 0.00 175.30 173.54 2hbp s LEU 7 N -3.88 5.11 0.25 -1.89 1.98 -1.25 -0.50 118.68 118.50 2hbp s LEU 7 Ca 0.15 -0.99 -0.06 0.00 -2.89 0.00 0.00 54.13 50.33 2hbp s LEU 7 Cb 0.03 -2.39 -0.06 0.00 0.66 0.00 0.00 46.19 44.44 2hbp s LEU 7 CO 0.08 -0.82 0.52 0.26 -1.89 0.00 0.00 176.35 174.50 2hbp s TRP 8 N 2.38 3.46 0.01 5.38 0.52 0.15 -4.86 118.94 125.98 2hbp s TRP 8 Ca 0.12 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.95 2hbp s TRP 8 Cb -0.20 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 29.98 2hbp s TRP 8 CO 0.11 0.24 -0.06 0.08 0.02 0.00 0.00 176.95 177.34 2hbp s VAL 9 N -1.94 0.47 0.86 4.03 1.01 -1.26 -0.83 120.40 122.74 2hbp s VAL 9 Ca 0.44 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2hbp s VAL 9 Cb -0.11 -0.44 0.17 0.00 0.00 0.00 0.00 36.38 36.00 2hbp s VAL 9 CO 0.27 -0.02 1.18 1.51 0.00 0.00 0.00 175.10 178.04 2hbp s ASP 10 N -0.56 3.62 0.25 3.32 -4.77 -0.96 -0.78 116.67 116.79 2hbp s ASP 10 Ca -0.01 -0.05 -0.06 0.00 -3.30 0.00 0.00 52.55 49.13 2hbp s ASP 10 Cb -0.04 -0.13 0.27 0.00 -1.09 0.00 0.00 42.92 41.93 2hbp s ASP 10 CO -0.00 -2.38 1.91 -0.09 0.70 0.00 0.00 175.17 175.32 2hbp h ARG 11 N -1.16 1.24 0.00 2.11 2.43 -0.27 -2.45 114.38 116.27 2hbp h ARG 11 Ca -0.40 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2hbp h ARG 11 Cb 1.25 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2hbp h ARG 11 CO 0.38 0.82 -0.42 0.77 -1.51 0.00 0.00 179.97 180.01 2hbp h SER 12 N 1.27 0.00 0.00 -3.80 0.02 -1.93 -3.47 113.55 105.64 2hbp h SER 12 Ca 0.36 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2hbp h SER 12 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2hbp h SER 12 CO -0.09 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 2hbp n GLY 13 N 1.18 0.55 0.12 -3.77 0.00 -0.92 -4.95 105.19 97.41 2hbp n GLY 13 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 2hbp n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hbp h THR 14 N 0.00 1.41 -3.24 2.61 2.02 -1.91 -3.44 112.91 110.36 2hbp h THR 14 Ca 0.00 -2.90 -0.62 0.00 0.77 0.00 0.00 66.41 63.66 2hbp h THR 14 Cb 0.00 2.97 -0.34 0.00 -1.74 0.00 0.00 68.15 69.04 2hbp h THR 14 CO 0.00 0.86 -0.85 0.72 0.37 0.00 0.00 175.52 176.62 2hbp s PHE 15 N -2.65 2.22 -0.11 3.16 -0.12 -1.26 -5.04 117.98 114.18 2hbp s PHE 15 Ca -0.06 -1.08 0.02 0.00 -0.05 0.00 0.00 56.93 55.76 2hbp s PHE 15 Cb 0.06 -1.56 -0.01 0.00 -0.63 0.00 0.00 43.02 40.87 2hbp s PHE 15 CO 0.91 -0.53 -0.18 0.15 -0.05 0.00 0.00 175.22 175.52 2hbp s LYS 16 N 0.94 3.14 -0.02 1.99 1.02 -1.26 -2.25 119.74 123.29 2hbp s LYS 16 Ca -0.06 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.18 2hbp s LYS 16 Cb -0.15 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2hbp s LYS 16 CO -0.02 0.25 -0.10 0.14 -0.92 0.00 0.00 175.35 174.70 2hbp s VAL 17 N 0.22 0.82 -0.52 3.17 -7.23 -0.01 -4.90 120.40 111.95 2hbp s VAL 17 Ca -0.11 -0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 2hbp s VAL 17 Cb -0.16 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.11 2hbp s VAL 17 CO 0.06 0.25 0.79 1.51 -0.31 0.00 0.00 175.10 177.40 2hbp s ASP 18 N 0.09 6.29 0.15 4.85 -4.77 -1.24 0.33 116.67 122.38 2hbp s ASP 18 Ca -0.02 -0.57 -0.24 0.00 -3.30 0.00 0.00 52.55 48.43 2hbp s ASP 18 Cb -0.08 -2.37 0.07 0.00 -1.09 0.00 0.00 42.92 39.45 2hbp s ASP 18 CO 0.00 -1.05 0.68 0.00 0.70 0.00 0.00 175.17 175.50 2hbp s ALA 19 N 3.30 -1.59 -0.03 2.11 0.00 0.35 -1.22 121.76 124.68 2hbp s ALA 19 Ca 0.24 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2hbp s ALA 19 Cb -0.15 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2hbp s ALA 19 CO 0.16 -0.81 -0.01 -1.21 0.00 0.00 0.00 175.76 173.90 2hbp s GLU 20 N -3.65 2.83 0.07 0.00 0.41 -0.25 -0.33 118.70 117.78 2hbp s GLU 20 Ca 0.03 -0.55 -0.31 0.00 -0.41 0.00 0.00 54.97 53.74 2hbp s GLU 20 Cb -0.02 -2.69 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 2hbp s GLU 20 CO -0.09 0.65 1.21 0.12 -0.49 0.00 0.00 175.26 176.66 2hbp s PHE 21 N -0.99 3.43 -0.06 1.61 5.36 -1.26 -1.01 117.98 125.05 2hbp s PHE 21 Ca 0.17 1.29 -0.02 0.00 -0.96 0.00 0.00 56.93 57.41 2hbp s PHE 21 Cb -0.11 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2hbp s PHE 21 CO 0.07 -1.32 -0.07 -0.89 -1.46 0.00 0.00 175.22 171.54 2hbp n ILE 22 N 3.84 0.32 -3.56 3.12 5.41 -0.54 -4.94 119.36 123.01 2hbp n ILE 22 Ca 0.09 -0.09 -0.14 0.00 1.00 0.00 0.00 62.75 63.60 2hbp n ILE 22 Cb 0.46 -1.37 -0.06 0.00 -0.71 0.00 0.00 39.64 37.96 2hbp n ILE 22 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2hbp s GLY 23 N -4.97 -0.43 -0.10 7.39 0.00 -1.21 -5.02 107.32 102.98 2hbp s GLY 23 Ca -0.08 1.73 0.02 0.00 0.00 0.00 0.00 44.72 46.40 2hbp s GLY 23 CO 0.11 1.11 -0.17 0.00 0.00 0.00 0.00 173.10 174.15 2hbp s ALA 25 N 0.80 1.00 -1.40 0.00 0.00 0.46 -4.86 121.76 117.77 2hbp s ALA 25 Ca -0.10 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2hbp s ALA 25 Cb -0.16 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.06 2hbp s ALA 25 CO 0.01 -0.69 0.92 1.17 0.00 0.00 0.00 175.76 177.17 2hbp n LYS 26 N 5.05 -5.81 -0.69 0.00 3.00 -1.26 -1.25 118.16 117.20 2hbp n LYS 26 Ca -0.09 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 58.88 2hbp n LYS 26 Cb 0.49 -5.48 0.00 0.00 0.00 0.00 0.00 35.03 30.04 2hbp n LYS 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hbp n GLY 27 N -1.65 0.79 3.74 3.14 0.00 -1.26 -5.03 105.19 104.93 2hbp n GLY 27 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2hbp n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hbp s LYS 28 N -0.31 2.74 -0.15 1.61 -0.14 -0.38 0.43 119.74 123.53 2hbp s LYS 28 Ca 0.00 -0.82 0.02 0.00 -1.36 0.00 0.00 55.97 53.81 2hbp s LYS 28 Cb 0.00 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.55 2hbp s LYS 28 CO 0.00 0.53 -0.21 0.42 -0.76 0.00 0.00 175.35 175.32 2hbp s ILE 29 N -1.49 2.08 -0.16 2.17 1.01 0.22 -0.40 121.20 124.63 2hbp s ILE 29 Ca 0.28 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.72 2hbp s ILE 29 Cb -0.11 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2hbp s ILE 29 CO 0.21 0.55 0.80 -1.00 0.00 0.00 0.00 174.94 175.50 2hbp s HIS 30 N 0.93 3.43 -0.02 3.97 3.76 0.20 -1.27 115.29 126.29 2hbp s HIS 30 Ca -0.04 1.23 0.05 0.00 -0.15 0.00 0.00 55.06 56.15 2hbp s HIS 30 Cb -0.15 -2.98 -0.01 0.00 1.11 0.00 0.00 32.58 30.55 2hbp s HIS 30 CO -0.05 -0.21 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.94 2hbp s LEU 31 N 2.03 2.00 -0.45 0.89 1.43 0.33 -1.46 118.68 123.45 2hbp s LEU 31 Ca 0.37 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2hbp s LEU 31 Cb -0.17 -0.97 0.11 0.00 0.03 0.00 0.00 46.19 45.19 2hbp s LEU 31 CO 0.13 0.21 0.31 -2.28 0.23 0.00 0.00 176.35 174.95 2hbp s HIS 32 N -0.29 3.42 0.82 0.29 5.65 -0.18 0.00 115.29 125.01 2hbp s HIS 32 Ca 0.04 -1.84 -0.11 0.00 0.25 0.00 0.00 55.06 53.39 2hbp s HIS 32 Cb -0.09 -3.35 0.09 0.00 -1.18 0.00 0.00 32.58 28.05 2hbp s HIS 32 CO 0.00 -0.96 1.13 0.15 -0.65 0.00 0.00 174.74 174.41 2hbp s LYS 33 N 1.36 1.74 0.32 2.88 1.02 -0.09 -1.09 119.74 125.88 2hbp s LYS 33 Ca 0.05 1.41 0.26 0.00 0.02 0.00 0.00 55.97 57.71 2hbp s LYS 33 Cb -0.25 -1.82 1.10 0.00 -0.52 0.00 0.00 37.83 36.34 2hbp s LYS 33 CO -0.00 -2.07 1.77 0.00 -0.92 0.00 0.00 175.35 174.13 2hbp h ALA 34 N -1.29 1.00 0.00 5.17 0.00 -1.48 -0.49 119.26 122.17 2hbp h ALA 34 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hbp h ALA 34 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hbp h ALA 34 CO 0.47 0.00 -0.00 -0.97 0.00 0.00 0.00 179.25 178.75 2hbp h ASN 35 N 0.00 0.00 0.00 0.00 -0.73 -1.91 -3.47 115.58 109.48 2hbp h ASN 35 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2hbp h ASN 35 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 2hbp h ASN 35 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2hbp n GLY 36 N 0.31 2.83 3.77 1.57 0.00 -0.19 -5.07 105.19 108.40 2hbp n GLY 36 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2hbp n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hbp s VAL 37 N -2.50 4.05 -0.21 1.61 0.11 -1.26 -4.76 120.40 117.44 2hbp s VAL 37 Ca 0.00 1.88 -0.11 0.00 -2.93 0.00 0.00 61.98 60.83 2hbp s VAL 37 Cb 0.00 -4.13 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 2hbp s VAL 37 CO 0.00 0.31 0.16 -0.75 -3.33 0.00 0.00 175.10 171.49 2hbp s LYS 38 N -1.64 4.14 0.28 1.54 2.20 -1.26 -0.91 119.74 124.09 2hbp s LYS 38 Ca 0.46 -0.21 0.09 0.00 -0.36 0.00 0.00 55.97 55.95 2hbp s LYS 38 Cb -0.23 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 2hbp s LYS 38 CO 0.29 0.19 -0.12 0.96 -0.36 0.00 0.00 175.35 176.31 2hbp s ILE 39 N 0.68 2.04 -0.13 5.43 -4.36 0.10 -4.96 121.20 120.00 2hbp s ILE 39 Ca 0.09 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 2hbp s ILE 39 Cb -0.12 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.22 2hbp s ILE 39 CO 0.01 -0.36 -0.16 0.00 0.24 0.00 0.00 174.94 174.67 2hbp s ALA 40 N -2.77 1.88 0.32 2.27 0.00 -1.26 -0.51 121.76 121.69 2hbp s ALA 40 Ca 0.29 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.46 2hbp s ALA 40 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 2hbp s ALA 40 CO 0.13 -0.22 -0.09 0.14 0.00 0.00 0.00 175.76 175.72 2hbp s VAL 41 N 1.20 2.46 -0.27 0.00 -7.23 -0.40 -4.93 120.40 111.24 2hbp s VAL 41 Ca -0.01 -2.17 -0.18 0.00 -1.81 0.00 0.00 61.98 57.81 2hbp s VAL 41 Cb -0.14 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2hbp s VAL 41 CO -0.06 -0.25 0.52 0.00 -0.31 0.00 0.00 175.10 174.99 2hbp s ALA 42 N -2.55 3.58 0.43 1.32 0.00 -1.26 0.73 121.76 124.02 2hbp s ALA 42 Ca 0.32 -0.63 0.35 0.00 0.00 0.00 0.00 51.96 52.01 2hbp s ALA 42 Cb -0.00 -2.90 1.80 0.00 0.00 0.00 0.00 23.12 22.02 2hbp s ALA 42 CO 0.17 -0.77 2.17 0.00 0.00 0.00 0.00 175.76 177.33 2hbp h ALA 43 N 8.05 1.12 0.00 0.00 0.00 -0.31 -2.65 119.26 125.46 2hbp h ALA 43 Ca -0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2hbp h ALA 43 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2hbp h ALA 43 CO 0.72 0.05 -0.12 0.22 0.00 0.00 0.00 179.25 180.12 2hbp h ASP 44 N 0.00 0.00 0.00 0.00 3.58 -1.74 -2.80 116.42 115.46 2hbp h ASP 44 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2hbp h ASP 44 Cb 0.24 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.17 2hbp h ASP 44 CO 0.01 0.12 -0.62 2.29 -2.88 0.00 0.00 179.24 178.15 2hbp n LYS 45 N -3.30 0.99 -2.74 0.28 -0.00 -1.01 -4.53 118.16 107.85 2hbp n LYS 45 Ca -0.00 -2.72 -0.20 0.00 -0.00 0.00 0.00 58.31 55.39 2hbp n LYS 45 Cb 0.34 -1.05 0.03 0.00 -0.00 0.00 0.00 35.03 34.36 2hbp n LYS 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2hbp s LEU 46 N -2.04 3.35 0.29 -5.58 2.96 -1.06 0.29 118.68 116.88 2hbp s LEU 46 Ca 0.34 -0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 2hbp s LEU 46 Cb 0.35 -2.74 -0.10 0.00 0.50 0.00 0.00 46.19 44.20 2hbp s LEU 46 CO -0.09 -1.09 1.15 -0.55 -1.32 0.00 0.00 176.35 174.45 2hbp s SER 47 N -4.43 7.16 0.51 3.68 0.15 0.04 -2.65 113.70 118.16 2hbp s SER 47 Ca 0.57 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.85 2hbp s SER 47 Cb -0.10 -2.63 1.36 0.00 -1.71 0.00 0.00 66.02 62.94 2hbp s SER 47 CO 0.37 -0.23 2.03 -0.55 1.20 0.00 0.00 173.24 176.06 2hbp h ASN 48 N 3.80 0.00 -0.17 5.45 7.08 -1.87 -0.05 115.58 129.82 2hbp h ASN 48 Ca -0.47 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.74 2hbp h ASN 48 Cb 1.21 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.45 2hbp h ASN 48 CO 0.67 0.14 0.06 -0.33 -2.08 0.00 0.00 177.43 175.88 2hbp h GLU 49 N 0.00 0.26 -0.65 4.14 4.39 -1.93 0.15 114.58 120.94 2hbp h GLU 49 Ca -0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2hbp h GLU 49 Cb 0.41 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2hbp h GLU 49 CO 0.02 0.37 0.40 -0.44 -1.16 0.00 0.00 179.01 178.20 2hbp h ASP 50 N 0.10 0.66 -0.40 1.42 5.19 -1.39 -1.61 116.42 120.38 2hbp h ASP 50 Ca 0.06 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 2hbp h ASP 50 Cb 0.22 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2hbp h ASP 50 CO -0.00 0.46 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.39 2hbp h LEU 51 N 0.79 0.80 -1.88 1.55 -0.00 -1.01 -1.18 115.31 114.37 2hbp h LEU 51 Ca 0.26 -0.37 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2hbp h LEU 51 Cb 0.02 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.46 2hbp h LEU 51 CO -0.11 0.98 -0.07 0.00 -0.00 0.00 0.00 178.44 179.24 2hbp h ALA 52 N 0.84 1.84 -0.01 1.53 0.00 -0.32 0.56 119.26 123.71 2hbp h ALA 52 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2hbp h ALA 52 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hbp h ALA 52 CO 0.04 0.09 -0.08 -0.92 0.00 0.00 0.00 179.25 178.38 2hbp h TYR 53 N 0.00 0.09 0.00 0.00 3.20 -1.05 -3.23 116.97 115.98 2hbp h TYR 53 Ca -0.00 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2hbp h TYR 53 Cb 0.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2hbp h TYR 53 CO 0.00 0.79 -0.36 -0.24 -1.64 0.00 0.00 178.16 176.70 2hbp h VAL 54 N -0.62 1.03 -0.95 1.81 3.04 -0.15 0.12 116.25 120.52 2hbp h VAL 54 Ca -0.01 -1.36 0.18 0.00 -1.01 0.00 0.00 66.70 64.51 2hbp h VAL 54 Cb 0.80 1.78 -0.10 0.00 -2.01 0.00 0.00 31.29 31.76 2hbp h VAL 54 CO 0.02 0.36 0.55 -0.33 -1.01 0.00 0.00 177.57 177.15 2hbp h GLU 55 N 0.00 0.68 -0.10 4.17 5.08 -0.02 0.18 114.58 124.58 2hbp h GLU 55 Ca -0.00 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 2hbp h GLU 55 Cb 0.75 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2hbp h GLU 55 CO 0.05 0.45 -0.84 0.87 -1.00 0.00 0.00 179.01 178.54 2hbp h LYS 56 N 0.70 0.67 -0.81 2.33 1.79 -0.82 0.23 116.57 120.66 2hbp h LYS 56 Ca 0.55 -0.59 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2hbp h LYS 56 Cb 0.84 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 2hbp h LYS 56 CO -0.39 1.20 0.35 0.82 -1.08 0.00 0.00 179.45 180.36 2hbp h ILE 57 N 0.44 1.26 0.04 1.86 2.04 -0.77 -3.36 117.51 119.02 2hbp h ILE 57 Ca -0.07 -0.78 -0.37 0.00 1.00 0.00 0.00 64.86 64.64 2hbp h ILE 57 Cb 1.46 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2hbp h ILE 57 CO 0.16 0.33 -2.13 0.35 0.00 0.00 0.00 178.15 176.86 2hbp n THR 58 N -4.29 1.60 0.00 -0.27 -2.24 -0.00 -4.99 114.28 104.08 2hbp n THR 58 Ca 0.08 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2hbp n THR 58 Cb 0.17 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 2hbp n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hbp n GLY 59 N 1.82 0.95 3.98 3.38 0.00 0.80 -5.09 105.19 111.04 2hbp n GLY 59 Ca -0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2hbp n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hbp s PHE 60 N -2.00 1.71 -0.12 1.61 0.08 -1.20 -5.05 117.98 113.01 2hbp s PHE 60 Ca 0.00 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2hbp s PHE 60 Cb 0.00 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 2hbp s PHE 60 CO 0.00 -0.79 -0.17 0.45 -0.10 0.00 0.00 175.22 174.61 2hbp s SER 61 N -4.47 2.65 -0.64 1.36 0.15 -1.26 -4.49 113.70 107.01 2hbp s SER 61 Ca 0.51 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 2hbp s SER 61 Cb -0.05 -1.20 0.44 0.00 -1.71 0.00 0.00 66.02 63.50 2hbp s SER 61 CO 0.32 0.02 1.91 0.18 1.20 0.00 0.00 173.24 176.88 2hbp n LEU 62 N 4.23 7.29 0.08 3.45 4.77 -1.26 -4.77 117.00 130.80 2hbp n LEU 62 Ca -0.19 -4.42 -0.16 0.00 -0.03 0.00 0.00 56.01 51.21 2hbp n LEU 62 Cb 0.51 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 2hbp n LEU 62 CO 0.24 1.59 0.52 -0.08 -1.33 0.00 0.00 177.39 178.34 2hbp h GLU 63 N 2.13 -0.68 0.00 3.23 4.57 -1.97 0.12 114.58 121.99 2hbp h GLU 63 Ca 0.57 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2hbp h GLU 63 Cb 0.82 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2hbp h GLU 63 CO 1.46 -0.45 0.00 0.36 -1.18 0.00 0.00 179.01 179.20 2hbp n LYS 64 N -5.47 0.02 0.03 1.92 2.85 -1.26 -1.54 118.16 114.71 2hbp n LYS 64 Ca -0.08 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.56 2hbp n LYS 64 Cb 0.40 -1.54 0.09 0.00 -0.65 0.00 0.00 35.03 33.34 2hbp n LYS 64 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2hbp n PHE 65 N -1.57 0.33 -2.36 5.58 3.01 0.22 -4.91 117.46 117.75 2hbp n PHE 65 Ca 0.03 0.10 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 2hbp n PHE 65 Cb 0.18 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.13 2hbp n PHE 65 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2hbp s LYS 66 N -3.17 4.50 -0.12 -1.08 1.02 -0.10 -3.94 119.74 116.85 2hbp s LYS 66 Ca 0.05 1.90 -0.29 0.00 0.02 0.00 0.00 55.97 57.65 2hbp s LYS 66 Cb 0.14 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2hbp s LYS 66 CO 0.77 -0.05 1.81 0.00 -0.92 0.00 0.00 175.35 176.95 2hbp s ALA 67 N -0.33 3.33 0.00 5.17 0.00 -1.08 -4.84 121.76 124.00 2hbp s ALA 67 Ca 0.51 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2hbp s ALA 67 Cb -0.33 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2hbp s ALA 67 CO 0.39 -1.88 0.00 -1.71 0.00 0.00 0.00 175.76 172.56