#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xho s TRP 3 N 0.00 1.57 0.01 3.52 0.52 -1.00 -5.00 118.94 118.57 1xho s TRP 3 Ca 0.00 -1.14 0.07 0.00 0.02 0.00 0.00 56.10 55.05 1xho s TRP 3 Cb 0.00 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1xho s TRP 3 CO 0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 176.95 176.50 1xho s ALA 4 N -3.68 2.51 -0.12 0.98 0.00 -1.26 -1.12 121.76 119.07 1xho s ALA 4 Ca 0.37 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1xho s ALA 4 Cb 0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1xho s ALA 4 CO 0.13 0.56 -0.20 0.42 0.00 0.00 0.00 175.76 176.67 1xho s ILE 5 N -0.83 2.43 -0.08 0.00 1.01 -1.26 -4.98 121.20 117.49 1xho s ILE 5 Ca 0.13 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 1xho s ILE 5 Cb -0.10 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1xho s ILE 5 CO 0.03 0.54 0.25 -0.13 0.00 0.00 0.00 174.94 175.63 1xho s ARG 6 N 0.40 3.68 0.08 2.79 1.81 -1.26 -4.74 118.95 121.70 1xho s ARG 6 Ca -0.15 0.08 0.04 0.00 -1.72 0.00 0.00 55.73 53.99 1xho s ARG 6 Cb -0.17 -3.22 -0.03 0.00 -0.45 0.00 0.00 34.95 31.08 1xho s ARG 6 CO 0.07 0.71 -0.12 0.20 -0.68 0.00 0.00 175.30 175.47 1xho s GLY 7 N -0.93 0.81 -0.02 -3.53 0.00 0.50 -1.43 107.32 102.72 1xho s GLY 7 Ca 0.18 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1xho s GLY 7 CO 0.07 -1.08 0.23 0.00 0.00 0.00 0.00 173.10 172.33 1xho s ALA 8 N -1.66 -0.58 0.20 3.20 0.00 -0.30 -0.33 121.76 122.29 1xho s ALA 8 Ca -0.01 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 1xho s ALA 8 Cb -0.08 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1xho s ALA 8 CO 0.01 -0.21 0.50 -0.08 0.00 0.00 0.00 175.76 175.98 1xho s THR 9 N -1.04 0.03 0.20 0.00 -1.32 -0.01 -0.49 115.64 113.01 1xho s THR 9 Ca -0.11 -0.92 0.09 0.00 -1.21 0.00 0.00 61.69 59.55 1xho s THR 9 Cb -0.05 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 1xho s THR 9 CO 0.02 -0.13 -0.18 0.42 -2.21 0.00 0.00 174.62 172.55 1xho s THR 10 N -3.90 1.98 0.27 5.08 -4.23 -1.25 -0.54 115.64 113.07 1xho s THR 10 Ca 0.11 -2.10 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 1xho s THR 10 Cb -0.01 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1xho s THR 10 CO -0.01 -0.39 -0.20 0.68 -0.54 0.00 0.00 174.62 174.16 1xho s VAL 11 N -2.35 2.48 0.07 2.29 -7.23 -0.28 -4.77 120.40 110.61 1xho s VAL 11 Ca 0.21 -2.38 -0.04 0.00 -1.81 0.00 0.00 61.98 57.96 1xho s VAL 11 Cb -0.04 -2.29 -0.28 0.00 0.56 0.00 0.00 36.38 34.32 1xho s VAL 11 CO 0.09 -0.38 1.13 0.77 -0.31 0.00 0.00 175.10 176.40 1xho h SER 12 N 2.33 0.40 -5.01 4.85 4.64 -1.94 -3.46 113.55 115.36 1xho h SER 12 Ca -0.40 -0.43 -0.16 0.00 -0.47 0.00 0.00 61.79 60.32 1xho h SER 12 Cb 1.26 -0.13 -0.20 0.00 -0.31 0.00 0.00 62.40 63.02 1xho h SER 12 CO 0.59 1.34 -0.66 1.51 -0.87 0.00 0.00 176.83 178.74 1xho s ASP 13 N -7.11 0.24 -0.95 4.97 1.47 -1.26 -5.05 116.67 108.98 1xho s ASP 13 Ca -0.04 -0.52 -0.22 0.00 1.18 0.00 0.00 52.55 52.95 1xho s ASP 13 Cb 0.07 0.13 -0.13 0.00 -0.34 0.00 0.00 42.92 42.65 1xho s ASP 13 CO 0.88 -0.35 1.92 -3.20 0.68 0.00 0.00 175.17 175.10 1xho n ASN 14 N 1.38 2.79 -4.15 2.11 5.15 -1.26 -4.58 115.26 116.70 1xho n ASN 14 Ca -0.23 -2.69 -0.14 0.00 -0.60 0.00 0.00 54.58 50.92 1xho n ASN 14 Cb 0.56 -1.38 -0.11 0.00 -0.53 0.00 0.00 39.78 38.32 1xho n ASN 14 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xho s THR 15 N 7.50 0.86 0.37 -0.44 -4.23 -1.26 -4.71 115.64 113.73 1xho s THR 15 Ca 0.62 -1.49 0.08 0.00 -1.18 0.00 0.00 61.69 59.71 1xho s THR 15 Cb 0.08 -1.18 0.17 0.00 1.34 0.00 0.00 72.50 72.91 1xho s THR 15 CO 0.13 -0.49 1.92 0.00 -0.54 0.00 0.00 174.62 175.63 1xho h ALA 16 N 3.83 1.48 -0.21 3.99 0.00 -1.90 -1.84 119.26 124.61 1xho h ALA 16 Ca -0.37 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1xho h ALA 16 Cb 1.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xho h ALA 16 CO 0.49 0.37 -0.25 -0.44 0.00 0.00 0.00 179.25 179.42 1xho h ASP 17 N 0.35 0.59 -0.08 0.00 3.32 -1.95 -2.33 116.42 116.32 1xho h ASP 17 Ca 0.08 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1xho h ASP 17 Cb 0.31 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xho h ASP 17 CO 0.01 0.97 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.14 1xho h GLU 18 N 0.23 0.16 -0.36 3.56 4.39 -1.83 -1.41 114.58 119.32 1xho h GLU 18 Ca 0.03 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1xho h GLU 18 Cb 0.82 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 1xho h GLU 18 CO 0.06 0.51 0.06 0.82 -1.16 0.00 0.00 179.01 179.30 1xho h ILE 19 N -0.20 0.80 -0.13 3.13 2.04 -1.42 -0.35 117.51 121.39 1xho h ILE 19 Ca 0.02 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 1xho h ILE 19 Cb 0.46 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1xho h ILE 19 CO 0.01 0.03 -0.36 0.58 0.00 0.00 0.00 178.15 178.41 1xho h VAL 20 N 0.18 1.37 -0.27 1.67 2.07 -1.44 -2.17 116.25 117.65 1xho h VAL 20 Ca 0.17 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1xho h VAL 20 Cb 0.21 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1xho h VAL 20 CO -0.24 0.49 -0.21 0.00 0.02 0.00 0.00 177.57 177.64 1xho h ALA 21 N 0.52 0.39 -0.03 1.67 0.00 -1.20 -0.92 119.26 119.69 1xho h ALA 21 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1xho h ALA 21 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xho h ALA 21 CO 0.08 0.34 -0.47 0.93 0.00 0.00 0.00 179.25 180.13 1xho h GLU 22 N 0.35 0.08 -0.44 0.00 4.39 -1.14 -1.64 114.58 116.18 1xho h GLU 22 Ca 0.05 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1xho h GLU 22 Cb 0.75 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1xho h GLU 22 CO 0.05 0.53 -0.27 1.15 -1.16 0.00 0.00 179.01 179.32 1xho h THR 23 N 0.07 1.27 -0.41 1.13 2.02 -1.29 -2.53 112.91 113.17 1xho h THR 23 Ca 0.00 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.72 1xho h THR 23 Cb 0.85 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1xho h THR 23 CO 0.06 0.49 0.13 -0.61 0.37 0.00 0.00 175.52 175.96 1xho h GLN 24 N 0.81 0.63 -0.87 6.66 4.15 -0.79 -0.82 115.11 124.88 1xho h GLN 24 Ca 0.09 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1xho h GLN 24 Cb 0.85 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 1xho h GLN 24 CO 0.07 0.63 0.45 0.87 -1.93 0.00 0.00 178.83 178.92 1xho h LYS 25 N 0.51 1.23 -0.13 1.69 1.57 -1.33 -0.80 116.57 119.31 1xho h LYS 25 Ca 0.13 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xho h LYS 25 Cb 0.26 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xho h LYS 25 CO -0.00 0.92 0.05 1.25 -0.57 0.00 0.00 179.45 181.09 1xho h LEU 26 N 1.22 0.18 -0.76 2.94 5.85 -1.15 -0.84 115.31 122.76 1xho h LEU 26 Ca 0.30 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xho h LEU 26 Cb 0.07 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1xho h LEU 26 CO -0.04 0.30 0.43 -0.07 -0.34 0.00 0.00 178.44 178.72 1xho h LEU 27 N 0.05 0.93 0.21 2.25 3.38 -0.98 -3.12 115.31 118.03 1xho h LEU 27 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xho h LEU 27 Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xho h LEU 27 CO -0.00 0.74 -0.10 0.50 0.09 0.00 0.00 178.44 179.67 1xho h LYS 28 N 1.04 -0.27 -0.28 1.13 1.63 -1.04 -0.36 116.57 118.42 1xho h LYS 28 Ca 0.27 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1xho h LYS 28 Cb 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1xho h LYS 28 CO -0.05 -0.08 0.00 -1.91 -3.45 0.00 0.00 179.45 173.96 1xho n GLU 29 N -5.16 0.00 0.00 1.90 4.07 -0.33 -0.33 120.64 120.80 1xho n GLU 29 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1xho n GLU 29 Cb 0.17 -0.81 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 1xho n GLU 29 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xho n ALA 31 N 0.36 0.00 0.43 4.31 0.00 -0.15 -1.82 120.51 123.64 1xho n ALA 31 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1xho n ALA 31 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1xho n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xho h GLU 32 N 0.00 -1.08 -0.03 0.00 5.08 -0.93 0.24 114.58 117.86 1xho h GLU 32 Ca 0.00 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xho h GLU 32 Cb 0.00 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xho h GLU 32 CO 0.00 -0.71 0.06 0.87 -1.00 0.00 0.00 179.01 178.23 1xho h LYS 33 N -1.28 0.00 -0.40 2.33 1.57 -1.61 -0.73 116.57 116.46 1xho h LYS 33 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1xho h LYS 33 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1xho h LYS 33 CO 0.19 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.16 1xho n ASN 34 N -3.39 3.15 -3.84 0.86 3.02 -1.18 -4.73 115.26 109.15 1xho n ASN 34 Ca -0.02 -2.07 -0.27 0.00 -0.03 0.00 0.00 54.58 52.19 1xho n ASN 34 Cb 0.14 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1xho n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xho n GLY 35 N 0.61 -0.43 3.80 7.41 0.00 -0.02 -4.97 105.19 111.60 1xho n GLY 35 Ca 0.14 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1xho n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xho s LEU 36 N -7.09 4.02 0.34 0.99 1.43 0.63 -5.03 118.68 113.98 1xho s LEU 36 Ca 0.45 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.88 1xho s LEU 36 Cb -0.22 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1xho s LEU 36 CO 0.82 0.32 0.08 -1.61 0.23 0.00 0.00 176.35 176.19 1xho s GLU 37 N -1.44 2.21 0.43 1.70 2.02 -1.26 -4.70 118.70 117.66 1xho s GLU 37 Ca 0.20 -1.67 0.20 0.00 0.02 0.00 0.00 54.97 53.72 1xho s GLU 37 Cb -0.12 -2.03 1.16 0.00 0.10 0.00 0.00 34.13 33.24 1xho s GLU 37 CO 0.10 0.11 1.82 1.49 0.02 0.00 0.00 175.26 178.80 1xho h GLU 38 N 1.68 0.33 -0.92 1.61 4.81 -1.97 0.96 114.58 121.08 1xho h GLU 38 Ca -0.43 -0.02 0.27 0.00 -0.13 0.00 0.00 59.36 59.04 1xho h GLU 38 Cb 1.25 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1xho h GLU 38 CO 0.66 0.22 0.66 -0.44 -0.73 0.00 0.00 179.01 179.37 1xho h ASP 39 N 0.34 0.00 1.20 1.04 3.32 -2.00 -2.18 116.42 118.14 1xho h ASP 39 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1xho h ASP 39 Cb 1.43 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1xho h ASP 39 CO -0.20 0.00 -0.56 0.44 -1.72 0.00 0.00 179.24 177.21 1xho h ASP 40 N 0.00 0.00 -3.42 6.45 3.32 -1.11 -3.47 116.42 118.20 1xho h ASP 40 Ca 0.44 -0.08 -0.59 0.00 0.02 0.00 0.00 57.03 56.82 1xho h ASP 40 Cb 1.75 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.21 1xho h ASP 40 CO -0.00 0.04 0.09 -0.63 -1.72 0.00 0.00 179.24 177.02 1xho s ILE 41 N -3.23 5.04 -0.17 0.35 1.01 -0.82 -0.03 121.20 123.34 1xho s ILE 41 Ca 0.05 1.17 -0.24 0.00 0.00 0.00 0.00 60.65 61.62 1xho s ILE 41 Cb 0.10 -3.93 -0.23 0.00 0.01 0.00 0.00 42.46 38.41 1xho s ILE 41 CO 0.72 0.13 0.46 0.40 0.00 0.00 0.00 174.94 176.65 1xho h ILE 42 N 5.14 1.27 -2.88 2.92 2.04 -0.90 -3.47 117.51 121.63 1xho h ILE 42 Ca -0.32 -2.27 -0.04 0.00 1.00 0.00 0.00 64.86 63.23 1xho h ILE 42 Cb 1.15 2.72 -0.14 0.00 -0.74 0.00 0.00 36.82 39.81 1xho h ILE 42 CO 0.77 0.46 0.10 -0.94 0.00 0.00 0.00 178.15 178.54 1xho s SER 43 N -6.63 -0.48 -0.10 1.72 1.04 -1.13 -4.23 113.70 103.90 1xho s SER 43 Ca -0.24 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 1xho s SER 43 Cb 0.02 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1xho s SER 43 CO 0.65 -0.82 -0.01 -0.63 0.98 0.00 0.00 173.24 173.41 1xho s ILE 44 N -3.02 0.50 -0.19 -1.02 1.01 -0.21 -2.02 121.20 116.23 1xho s ILE 44 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 1xho s ILE 44 Cb -0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1xho s ILE 44 CO -0.06 0.21 0.03 -0.63 0.00 0.00 0.00 174.94 174.48 1xho s ILE 45 N 1.91 4.29 -0.03 2.92 1.01 -1.26 -4.18 121.20 125.86 1xho s ILE 45 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1xho s ILE 45 Cb -0.13 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1xho s ILE 45 CO -0.06 0.43 -0.06 -0.36 0.00 0.00 0.00 174.94 174.89 1xho s PHE 46 N 0.79 2.93 0.07 3.97 0.08 -1.26 -4.26 117.98 120.30 1xho s PHE 46 Ca 0.02 0.00 0.06 0.00 0.12 0.00 0.00 56.93 57.13 1xho s PHE 46 Cb -0.14 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1xho s PHE 46 CO 0.02 0.37 -0.17 0.95 -0.10 0.00 0.00 175.22 176.29 1xho s THR 47 N -0.94 1.37 0.10 0.64 -4.23 -0.44 -4.19 115.64 107.95 1xho s THR 47 Ca 0.16 -1.33 0.07 0.00 -1.18 0.00 0.00 61.69 59.41 1xho s THR 47 Cb -0.11 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 1xho s THR 47 CO 0.05 -0.09 -0.17 0.68 -0.54 0.00 0.00 174.62 174.55 1xho s VAL 48 N -1.12 1.43 0.70 2.29 -7.23 -1.26 -1.09 120.40 114.13 1xho s VAL 48 Ca 0.02 -1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 1xho s VAL 48 Cb -0.10 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.46 1xho s VAL 48 CO 0.03 -0.21 1.10 0.42 -0.31 0.00 0.00 175.10 176.13 1xho s THR 49 N -1.47 3.30 0.44 5.32 -4.23 -0.98 0.10 115.64 118.11 1xho s THR 49 Ca 0.05 0.53 0.23 0.00 -1.18 0.00 0.00 61.69 61.31 1xho s THR 49 Cb -0.09 -3.04 0.43 0.00 1.34 0.00 0.00 72.50 71.14 1xho s THR 49 CO 0.03 -0.45 1.79 0.50 -0.54 0.00 0.00 174.62 175.96 1xho h LYS 50 N -0.43 0.28 0.00 3.99 3.64 -1.93 -0.23 116.57 121.90 1xho h LYS 50 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xho h LYS 50 Cb 1.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1xho h LYS 50 CO 0.53 0.19 0.00 -0.40 -2.27 0.00 0.00 179.45 177.50 1xho n ASP 51 N -4.51 0.00 -4.37 4.20 5.68 -1.26 -4.56 116.55 111.73 1xho n ASP 51 Ca 0.24 0.19 -0.35 0.00 -0.50 0.00 0.00 54.79 54.37 1xho n ASP 51 Cb 0.94 -0.35 -0.13 0.00 -1.14 0.00 0.00 41.12 40.44 1xho n ASP 51 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1xho s LEU 52 N -2.70 3.09 0.00 -2.12 1.43 -0.10 -4.73 118.68 113.55 1xho s LEU 52 Ca 0.13 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1xho s LEU 52 Cb 0.11 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1xho s LEU 52 CO 0.26 -0.01 0.22 -0.90 0.23 0.00 0.00 176.35 176.16 1xho n ASP 53 N 4.72 0.00 0.19 2.29 5.68 -1.26 -4.77 116.55 123.40 1xho n ASP 53 Ca -0.17 -1.00 0.06 0.00 -0.50 0.00 0.00 54.79 53.18 1xho n ASP 53 Cb 0.51 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.79 1xho n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xho h ALA 54 N 0.00 0.92 -2.69 2.12 0.00 -1.89 -3.46 119.26 114.25 1xho h ALA 54 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1xho h ALA 54 Cb 0.73 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 1xho h ALA 54 CO 0.00 0.44 0.34 0.00 0.00 0.00 0.00 179.25 180.03 1xho s ALA 55 N -3.45 -1.51 -0.17 0.00 0.00 -1.26 -4.48 121.76 110.89 1xho s ALA 55 Ca 0.01 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1xho s ALA 55 Cb 0.10 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1xho s ALA 55 CO 0.68 -0.94 1.23 -0.06 0.00 0.00 0.00 175.76 176.67 1xho s PHE 56 N -3.58 2.93 0.61 0.00 0.08 -1.26 -4.94 117.98 111.82 1xho s PHE 56 Ca 0.09 1.08 0.32 0.00 0.12 0.00 0.00 56.93 58.54 1xho s PHE 56 Cb -0.03 -3.47 1.92 0.00 -0.57 0.00 0.00 43.02 40.87 1xho s PHE 56 CO -0.00 -1.52 2.26 -1.35 -0.10 0.00 0.00 175.22 174.51 1xho h PRO 57 N 8.07 0.00 -0.07 0.24 0.11 -1.98 -2.35 132.00 136.01 1xho h PRO 57 Ca -0.26 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1xho h PRO 57 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xho h PRO 57 CO 0.97 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 178.93 1xho h ALA 58 N 1.97 1.40 -0.46 -0.75 0.00 -1.96 -1.04 119.26 118.42 1xho h ALA 58 Ca 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xho h ALA 58 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xho h ALA 58 CO -0.00 -0.20 0.30 0.82 0.00 0.00 0.00 179.25 180.17 1xho h ILE 59 N 0.00 1.04 -0.64 0.00 2.04 -1.83 -2.83 117.51 115.29 1xho h ILE 59 Ca 0.03 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1xho h ILE 59 Cb 0.37 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1xho h ILE 59 CO -0.00 0.09 0.36 0.00 0.00 0.00 0.00 178.15 178.60 1xho h ALA 60 N 1.74 0.84 -0.52 1.87 0.00 -1.40 0.34 119.26 122.12 1xho h ALA 60 Ca 0.19 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xho h ALA 60 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xho h ALA 60 CO -0.05 0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.29 1xho h ALA 61 N 1.31 1.06 -0.43 0.00 0.00 -1.66 -2.92 119.26 116.61 1xho h ALA 61 Ca 0.28 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1xho h ALA 61 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xho h ALA 61 CO -0.15 0.59 -0.04 -0.09 0.00 0.00 0.00 179.25 179.56 1xho h ARG 62 N 0.80 0.79 -0.74 0.00 2.43 -1.31 0.24 114.38 116.59 1xho h ARG 62 Ca 0.16 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1xho h ARG 62 Cb 0.46 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1xho h ARG 62 CO 0.02 0.88 0.00 0.09 -1.51 0.00 0.00 179.97 179.45 1xho n ASN 63 N -4.35 0.00 -0.10 -3.80 4.13 0.05 -4.19 115.26 107.00 1xho n ASN 63 Ca -0.00 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.27 1xho n ASN 63 Cb 0.33 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.59 1xho n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xho n GLY 65 N 0.55 0.32 3.08 7.41 0.00 -1.15 -5.12 105.19 110.27 1xho n GLY 65 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1xho n GLY 65 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xho n TRP 66 N -0.32 3.66 0.68 1.61 8.01 0.83 -4.66 117.44 127.24 1xho n TRP 66 Ca 0.02 -2.99 0.11 0.00 -1.31 0.00 0.00 57.50 53.33 1xho n TRP 66 Cb 0.48 -2.03 0.13 0.00 -2.01 0.00 0.00 31.31 27.88 1xho n TRP 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1xho n THR 67 N 3.79 0.19 -0.94 -0.99 -2.24 -1.26 -4.15 114.28 108.67 1xho n THR 67 Ca 0.39 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1xho n THR 67 Cb 0.39 1.28 0.18 0.00 -2.10 0.00 0.00 70.33 70.07 1xho n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xho n SER 68 N 1.30 2.91 -4.34 3.42 7.64 -1.26 -5.03 113.62 118.26 1xho n SER 68 Ca 0.15 -2.95 -0.32 0.00 1.01 0.00 0.00 58.87 56.76 1xho n SER 68 Cb 0.56 -0.44 -0.15 0.00 -1.01 0.00 0.00 64.21 63.17 1xho n SER 68 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xho s THR 69 N -2.67 2.37 -0.07 0.44 2.01 -1.26 -5.09 115.64 111.37 1xho s THR 69 Ca 0.33 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 1xho s THR 69 Cb 0.28 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1xho s THR 69 CO 0.05 0.58 1.52 0.00 -0.69 0.00 0.00 174.62 176.08 1xho s ALA 70 N -0.41 3.63 0.34 7.40 0.00 -1.26 -4.96 121.76 126.49 1xho s ALA 70 Ca 0.04 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1xho s ALA 70 Cb -0.12 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1xho s ALA 70 CO 0.02 -1.26 0.03 1.28 0.00 0.00 0.00 175.76 175.83 1xho n LEU 71 N 6.68 0.00 -3.55 0.00 4.77 -1.26 -1.05 117.00 122.59 1xho n LEU 71 Ca 0.16 -2.07 -0.08 0.00 -0.03 0.00 0.00 56.01 53.99 1xho n LEU 71 Cb 0.43 0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1xho n LEU 71 CO 0.60 -0.31 0.79 0.00 -1.33 0.00 0.00 177.39 177.14 1xho s ASN 75 N -1.98 5.81 0.64 0.00 -0.87 -1.26 -4.97 114.94 112.30 1xho s ASN 75 Ca 0.04 0.04 -0.17 0.00 -1.57 0.00 0.00 52.86 51.20 1xho s ASN 75 Cb -0.01 -1.63 -0.01 0.00 -0.02 0.00 0.00 41.25 39.58 1xho s ASN 75 CO -0.05 0.13 1.15 -0.70 -2.57 0.00 0.00 177.10 175.06 1xho s GLU 76 N -2.72 2.82 0.10 -0.60 2.56 0.11 -4.77 118.70 116.21 1xho s GLU 76 Ca 0.32 1.59 -0.35 0.00 0.00 0.00 0.00 54.97 56.52 1xho s GLU 76 Cb -0.12 -1.94 -0.18 0.00 2.00 0.00 0.00 34.13 33.90 1xho s GLU 76 CO 0.24 -1.27 1.08 1.51 -0.56 0.00 0.00 175.26 176.27 1xho n ILE 77 N -2.08 0.56 -2.66 -3.70 3.06 -1.26 -4.77 119.36 108.51 1xho n ILE 77 Ca 0.12 -0.14 -0.43 0.00 -2.50 0.00 0.00 62.75 59.80 1xho n ILE 77 Cb 0.51 -0.44 -0.03 0.00 0.54 0.00 0.00 39.64 40.22 1xho n ILE 77 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xho s ASP 78 N -0.04 6.53 -0.28 9.51 2.15 -1.26 -4.95 116.67 128.33 1xho s ASP 78 Ca 0.80 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.98 1xho s ASP 78 Cb -1.02 -2.52 0.09 0.00 -0.30 0.00 0.00 42.92 39.17 1xho s ASP 78 CO 0.53 -1.27 0.09 -0.69 -0.17 0.00 0.00 175.17 173.66 1xho s VAL 79 N 4.41 0.55 0.07 1.11 1.01 -1.26 -5.12 120.40 121.17 1xho s VAL 79 Ca 0.43 -1.04 -0.32 0.00 0.00 0.00 0.00 61.98 61.05 1xho s VAL 79 Cb -0.08 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.85 1xho s VAL 79 CO 0.28 -0.59 1.85 -2.65 0.00 0.00 0.00 175.10 173.99 1xho n PRO 80 N 5.00 2.63 0.00 2.72 -0.02 -1.26 -1.70 135.00 142.37 1xho n PRO 80 Ca -0.05 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1xho n PRO 80 Cb 0.43 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1xho n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xho n GLY 81 N 4.25 0.43 3.70 -1.23 0.00 -1.26 -5.10 105.19 105.99 1xho n GLY 81 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1xho n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xho s SER 82 N -2.02 2.63 0.05 1.61 1.04 -0.69 -4.93 113.70 111.40 1xho s SER 82 Ca 0.00 1.01 -0.33 0.00 0.48 0.00 0.00 55.95 57.11 1xho s SER 82 Cb 0.00 -1.59 -0.12 0.00 0.10 0.00 0.00 66.02 64.41 1xho s SER 82 CO 0.00 -3.10 1.77 -0.11 0.98 0.00 0.00 173.24 172.77 1xho n LEU 83 N -4.14 3.47 -4.96 2.42 7.94 -1.26 -4.97 117.00 115.50 1xho n LEU 83 Ca 0.07 1.01 -0.22 0.00 -1.11 0.00 0.00 56.01 55.76 1xho n LEU 83 Cb 0.58 -1.43 0.02 0.00 0.53 0.00 0.00 43.42 43.12 1xho n LEU 83 CO 0.56 -0.08 0.32 -1.61 -1.11 0.00 0.00 177.39 175.47 1xho s GLU 84 N 2.68 2.79 -1.43 1.96 2.02 -1.26 -4.44 118.70 121.02 1xho s GLU 84 Ca 0.85 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.15 1xho s GLU 84 Cb -0.64 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1xho s GLU 84 CO 0.43 -0.50 0.41 1.63 0.02 0.00 0.00 175.26 177.25 1xho n LYS 85 N -2.21 -3.68 -4.15 1.61 4.76 -1.26 -4.86 118.16 108.37 1xho n LYS 85 Ca 0.05 0.75 -0.35 0.00 -2.87 0.00 0.00 58.31 55.89 1xho n LYS 85 Cb 0.59 -5.51 -0.13 0.00 -1.84 0.00 0.00 35.03 28.14 1xho n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xho s ILE 87 N 0.97 4.89 0.10 0.00 1.01 0.30 -2.33 121.20 126.14 1xho s ILE 87 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1xho s ILE 87 Cb -0.14 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xho s ILE 87 CO 0.01 0.35 -0.06 -0.13 0.00 0.00 0.00 174.94 175.11 1xho s ARG 88 N 1.21 2.30 0.39 2.79 0.52 -0.25 -0.83 118.95 125.09 1xho s ARG 88 Ca 0.06 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1xho s ARG 88 Cb -0.14 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1xho s ARG 88 CO 0.05 0.52 0.19 0.08 0.02 0.00 0.00 175.30 176.16 1xho s VAL 89 N -1.25 0.33 -0.04 3.52 1.01 0.55 -1.33 120.40 123.20 1xho s VAL 89 Ca 0.23 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.22 1xho s VAL 89 Cb -0.11 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1xho s VAL 89 CO 0.15 0.00 -0.05 -1.00 0.00 0.00 0.00 175.10 174.20 1xho s HIS 92 N -3.27 0.76 0.05 5.22 3.76 -0.86 -0.37 115.29 120.59 1xho s HIS 92 Ca 0.29 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1xho s HIS 92 Cb 0.02 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 1xho s HIS 92 CO 0.20 -0.16 -0.05 0.14 -0.85 0.00 0.00 174.74 174.02 1xho s VAL 93 N 0.70 0.35 -0.26 -0.90 -7.23 -0.28 -0.20 120.40 112.58 1xho s VAL 93 Ca -0.10 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 1xho s VAL 93 Cb -0.13 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1xho s VAL 93 CO 0.00 -0.73 0.29 0.20 -0.31 0.00 0.00 175.10 174.56 1xho s ASN 94 N -2.32 6.19 0.06 4.85 0.01 0.96 -2.38 114.94 122.31 1xho s ASN 94 Ca -0.01 0.21 -0.12 0.00 -0.71 0.00 0.00 52.86 52.23 1xho s ASN 94 Cb -0.01 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.49 1xho s ASN 94 CO -0.05 -0.09 0.26 0.28 -1.51 0.00 0.00 177.10 175.99 1xho s THR 95 N 1.72 0.10 -2.50 1.60 -1.32 -1.26 -4.80 115.64 109.18 1xho s THR 95 Ca 0.12 -0.83 0.24 0.00 -1.21 0.00 0.00 61.69 60.02 1xho s THR 95 Cb -0.15 -1.03 0.19 0.00 -1.51 0.00 0.00 72.50 69.99 1xho s THR 95 CO 0.09 -0.46 1.31 -0.90 -2.21 0.00 0.00 174.62 172.45 1xho n ASP 96 N 0.42 2.28 -4.82 8.08 5.75 -1.26 -4.64 116.55 122.36 1xho n ASP 96 Ca -0.18 -1.66 -0.32 0.00 -0.01 0.00 0.00 54.79 52.61 1xho n ASP 96 Cb 0.60 0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.85 1xho n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xho s LYS 97 N -2.20 3.60 0.51 0.11 -0.14 -1.26 -5.06 119.74 115.30 1xho s LYS 97 Ca 0.26 1.07 -0.16 0.00 -1.36 0.00 0.00 55.97 55.79 1xho s LYS 97 Cb 0.19 -2.08 -0.07 0.00 -1.68 0.00 0.00 37.83 34.19 1xho s LYS 97 CO 0.41 -0.57 0.97 -0.51 -0.76 0.00 0.00 175.35 174.90 1xho s ASP 98 N -2.98 6.59 0.25 2.83 1.01 -1.26 -4.94 116.67 118.16 1xho s ASP 98 Ca 0.61 1.52 -0.06 0.00 0.71 0.00 0.00 52.55 55.33 1xho s ASP 98 Cb -0.13 -2.49 0.45 0.00 1.01 0.00 0.00 42.92 41.76 1xho s ASP 98 CO 0.35 -0.59 1.64 0.50 0.21 0.00 0.00 175.17 177.28 1xho h LYS 99 N 0.86 0.12 0.00 8.23 3.64 -1.97 0.11 116.57 127.56 1xho h LYS 99 Ca -0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xho h LYS 99 Cb 1.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1xho h LYS 99 CO 0.62 0.08 -0.00 1.57 -2.27 0.00 0.00 179.45 179.44 1xho h LYS 100 N 0.12 0.00 0.00 1.90 2.10 -2.03 -2.44 116.57 116.22 1xho h LYS 100 Ca 0.42 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.03 1xho h LYS 100 Cb 0.74 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1xho h LYS 100 CO -0.65 0.00 -1.16 -0.25 -2.00 0.00 0.00 179.45 175.39 1xho n ASP 101 N -3.12 0.80 -4.68 7.07 8.00 0.35 -4.92 116.55 120.05 1xho n ASP 101 Ca -0.02 0.32 -0.44 0.00 0.71 0.00 0.00 54.79 55.36 1xho n ASP 101 Cb 0.11 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1xho n ASP 101 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xho n ILE 102 N -2.70 1.35 -3.65 0.53 2.08 -0.92 -4.96 119.36 111.09 1xho n ILE 102 Ca -0.03 -0.34 -0.39 0.00 0.56 0.00 0.00 62.75 62.55 1xho n ILE 102 Cb 0.62 -1.50 -0.12 0.00 -0.75 0.00 0.00 39.64 37.89 1xho n ILE 102 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1xho s LYS 103 N -0.96 2.87 0.37 0.38 3.01 -1.26 -5.07 119.74 119.07 1xho s LYS 103 Ca 0.63 -1.04 -0.21 0.00 -1.01 0.00 0.00 55.97 54.34 1xho s LYS 103 Cb -0.62 -3.62 -0.10 0.00 -1.01 0.00 0.00 37.83 32.48 1xho s LYS 103 CO 0.54 -0.64 0.90 -1.01 0.51 0.00 0.00 175.35 175.65 1xho s HIS 104 N 1.52 3.45 -0.12 3.18 3.76 -1.26 -4.84 115.29 120.98 1xho s HIS 104 Ca 0.02 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 1xho s HIS 104 Cb -0.19 -2.80 0.01 0.00 1.11 0.00 0.00 32.58 30.71 1xho s HIS 104 CO 0.05 0.04 -0.22 0.08 -0.85 0.00 0.00 174.74 173.85 1xho s VAL 105 N -1.95 1.96 -0.19 -0.90 1.01 -0.52 -5.02 120.40 114.80 1xho s VAL 105 Ca 0.56 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1xho s VAL 105 Cb -0.12 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xho s VAL 105 CO 0.17 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.39 1xho s TYR 106 N 0.63 2.30 0.28 5.22 2.02 -1.26 -1.16 117.35 125.39 1xho s TYR 106 Ca -0.12 -1.48 0.12 0.00 -0.37 0.00 0.00 57.07 55.22 1xho s TYR 106 Cb -0.16 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1xho s TYR 106 CO 0.03 -0.72 -0.20 -0.51 -1.57 0.00 0.00 175.55 172.58 1xho s LEU 107 N 1.44 2.59 0.00 -1.29 1.43 0.35 -4.41 118.68 118.80 1xho s LEU 107 Ca -0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1xho s LEU 107 Cb -0.16 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1xho s LEU 107 CO -0.08 0.04 0.00 0.59 0.23 0.00 0.00 176.35 177.13 1xho n ASN 108 N -0.61 0.00 0.28 2.29 3.02 -1.26 -1.38 115.26 117.60 1xho n ASN 108 Ca -0.05 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.69 1xho n ASN 108 Cb 0.60 0.00 1.02 0.00 -0.61 0.00 0.00 39.78 40.79 1xho n ASN 108 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xho h GLY 109 N 0.00 0.00 2.00 7.41 0.00 -1.92 -2.39 103.07 108.17 1xho h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xho h GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1xho n ALA 110 N -1.98 1.68 -0.01 3.60 0.00 -0.48 -2.90 120.51 120.43 1xho n ALA 110 Ca -0.02 0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1xho n ALA 110 Cb 0.06 -1.33 0.65 0.00 0.00 0.00 0.00 19.45 18.83 1xho n ALA 110 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xho h LYS 111 N 0.00 0.07 0.00 0.00 1.57 -1.50 -0.49 116.57 116.22 1xho h LYS 111 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xho h LYS 111 Cb 0.33 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xho h LYS 111 CO 0.00 0.05 -0.04 0.28 -0.57 0.00 0.00 179.45 179.17 1xho h VAL 112 N 0.08 0.36 0.00 0.50 2.07 -1.79 -3.50 116.25 113.96 1xho h VAL 112 Ca 0.26 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1xho h VAL 112 Cb 0.92 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1xho h VAL 112 CO -0.02 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.79