#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n GLU 2 N 0.00 0.00 -1.66 -4.13 0.28 -1.26 -5.02 120.64 108.85 1ocz n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ocz n GLU 2 Cb 0.00 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 32.70 1ocz n GLU 2 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ocz n ASN 3 N 0.00 -1.40 -2.35 -1.84 4.05 -1.26 -4.99 115.26 107.47 1ocz n ASN 3 Ca 0.00 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.68 1ocz n ASN 3 Cb 0.00 -0.35 0.08 0.00 1.23 0.00 0.00 39.78 40.74 1ocz n ASN 3 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1ocz n ARG 4 N -0.43 2.71 -0.20 1.20 1.85 -1.26 -4.51 116.66 116.01 1ocz n ARG 4 Ca 0.00 -3.32 -0.08 0.00 -1.00 0.00 0.00 57.85 53.45 1ocz n ARG 4 Cb 0.35 -2.29 0.02 0.00 -1.05 0.00 0.00 32.46 29.49 1ocz n ARG 4 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 1ocz h VAL 5 N 1.07 1.24 -0.99 8.89 3.04 -2.00 -2.59 116.25 124.91 1ocz h VAL 5 Ca 0.60 -0.83 0.15 0.00 -1.01 0.00 0.00 66.70 65.62 1ocz h VAL 5 Cb 0.79 0.71 -0.09 0.00 -2.01 0.00 0.00 31.29 30.68 1ocz h VAL 5 CO 1.58 0.31 0.61 0.00 -1.01 0.00 0.00 177.57 179.05 1ocz h ALA 6 N 1.04 1.56 -0.32 3.17 0.00 -2.00 0.30 119.26 123.01 1ocz h ALA 6 Ca 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ocz h ALA 6 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ocz h ALA 6 CO -0.00 0.09 0.14 0.93 0.00 0.00 0.00 179.25 180.41 1ocz h GLU 7 N 0.88 0.46 -0.70 0.00 5.08 -1.81 -2.45 114.58 116.04 1ocz h GLU 7 Ca 0.53 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1ocz h GLU 7 Cb 0.66 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1ocz h GLU 7 CO -0.32 0.45 0.34 0.87 -1.00 0.00 0.00 179.01 179.36 1ocz h LYS 8 N 0.37 1.00 0.83 2.33 1.79 -0.38 -2.41 116.57 120.10 1ocz h LYS 8 Ca 0.11 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1ocz h LYS 8 Cb 0.15 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1ocz h LYS 8 CO -0.01 0.76 -0.43 1.96 -1.08 0.00 0.00 179.45 180.65 1ocz h GLN 9 N 0.99 -1.11 -0.84 3.15 4.20 -0.47 -0.19 115.11 120.84 1ocz h GLN 9 Ca 0.24 0.08 0.21 0.00 0.06 0.00 0.00 58.65 59.25 1ocz h GLN 9 Cb 0.09 0.25 -0.14 0.00 0.30 0.00 0.00 27.48 27.98 1ocz h GLN 9 CO -0.03 -0.74 0.15 0.87 -0.67 0.00 0.00 178.83 178.40 1ocz h LYS 10 N -1.16 0.16 0.44 1.46 1.79 -1.38 0.30 116.57 118.18 1ocz h LYS 10 Ca -0.11 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1ocz h LYS 10 Cb 0.90 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1ocz h LYS 10 CO 0.17 0.10 -0.23 1.25 -1.08 0.00 0.00 179.45 179.67 1ocz h LEU 11 N 0.16 -0.55 -0.56 2.94 6.46 -1.16 -1.11 115.31 121.48 1ocz h LEU 11 Ca 0.51 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.29 1ocz h LEU 11 Cb 0.99 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1ocz h LEU 11 CO -0.67 -0.38 0.00 -0.26 -0.62 0.00 0.00 178.44 176.51 1ocz h PHE 12 N -0.61 0.00 0.00 1.25 0.04 0.75 -2.69 116.94 115.67 1ocz h PHE 12 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ocz h PHE 12 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1ocz h PHE 12 CO -0.06 0.00 -0.71 1.04 -0.60 0.00 0.00 178.31 177.98 1ocz n GLN 13 N -2.33 0.24 -1.65 1.51 6.02 0.86 -4.87 117.38 117.16 1ocz n GLN 13 Ca 0.03 0.05 -0.48 0.00 -0.01 0.00 0.00 57.00 56.59 1ocz n GLN 13 Cb 0.30 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1ocz n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ocz n GLU 14 N -1.97 2.03 -0.93 -1.09 2.13 -0.45 -4.80 120.64 115.56 1ocz n GLU 14 Ca 0.03 0.72 -0.34 0.00 0.66 0.00 0.00 57.16 58.23 1ocz n GLU 14 Cb 0.42 -2.68 -0.04 0.00 0.27 0.00 0.00 31.44 29.41 1ocz n GLU 14 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ocz n ASP 15 N 7.53 3.20 -0.83 4.31 2.03 -1.26 -4.60 116.55 126.93 1ocz n ASP 15 Ca 0.26 -2.52 0.06 0.00 0.52 0.00 0.00 54.79 53.11 1ocz n ASP 15 Cb 0.30 -1.06 0.19 0.00 -0.72 0.00 0.00 41.12 39.83 1ocz n ASP 15 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1ocz n ASN 16 N 6.27 2.40 0.00 1.67 0.23 -1.26 -4.90 115.26 119.67 1ocz n ASN 16 Ca 0.46 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 1ocz n ASN 16 Cb 0.29 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1ocz n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ocz n GLY 17 N 1.05 0.71 3.82 4.83 0.00 -1.26 -4.98 105.19 109.36 1ocz n GLY 17 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ocz n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ocz s LEU 18 N 0.00 3.53 0.32 0.99 1.43 -1.26 -5.05 118.68 118.65 1ocz s LEU 18 Ca 0.00 1.69 -0.14 0.00 -1.03 0.00 0.00 54.13 54.64 1ocz s LEU 18 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 1ocz s LEU 18 CO 0.00 -0.91 0.73 -2.16 0.23 0.00 0.00 176.35 174.24 1ocz s PRO 19 N -4.15 3.98 0.43 1.29 0.04 -1.26 -4.76 135.00 130.56 1ocz s PRO 19 Ca 0.61 0.64 0.28 0.00 0.04 0.00 0.00 61.00 62.57 1ocz s PRO 19 Cb -0.13 -2.43 1.38 0.00 0.04 0.00 0.00 34.50 33.35 1ocz s PRO 19 CO 0.36 0.15 1.64 -0.24 0.04 0.00 0.00 177.00 178.94 1ocz h VAL 20 N 1.90 0.16 0.00 -0.36 3.04 -1.97 0.89 116.25 119.92 1ocz h VAL 20 Ca -0.48 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1ocz h VAL 20 Cb 1.17 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1ocz h VAL 20 CO 0.65 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.24 1ocz n HIS 21 N -4.72 0.00 0.00 3.17 1.44 -1.26 -3.03 115.22 110.81 1ocz n HIS 21 Ca 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1ocz n HIS 21 Cb 1.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.46 1ocz n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1ocz n LEU 22 N -0.82 0.00 -0.01 2.39 4.77 0.22 -4.74 117.00 118.81 1ocz n LEU 22 Ca 0.12 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.33 1ocz n LEU 22 Cb 0.06 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.82 1ocz n LEU 22 CO 0.09 0.00 1.21 0.11 -1.33 0.00 0.00 177.39 177.47 1ocz h LYS 23 N 0.00 0.00 0.00 3.23 1.79 -1.23 -2.72 116.57 117.63 1ocz h LYS 23 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ocz h LYS 23 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1ocz h LYS 23 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1ocz n GLY 24 N -1.56 -1.56 0.00 3.86 0.00 -1.26 -4.85 105.19 99.82 1ocz n GLY 24 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ocz n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocz n GLY 25 N 0.88 0.82 0.15 -0.02 0.00 -1.03 -4.86 105.19 101.13 1ocz n GLY 25 Ca 0.04 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1ocz n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocz h ALA 26 N 0.00 -0.12 0.00 4.61 0.00 -1.96 -3.30 119.26 118.48 1ocz h ALA 26 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 1ocz h ALA 26 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ocz h ALA 26 CO 0.00 0.73 -0.19 1.79 0.00 0.00 0.00 179.25 181.58 1ocz h THR 27 N 0.15 1.13 -0.78 0.00 1.35 -1.98 -1.59 112.91 111.18 1ocz h THR 27 Ca -0.24 -0.64 0.04 0.00 -0.55 0.00 0.00 66.41 65.02 1ocz h THR 27 Cb 2.14 1.35 -0.05 0.00 -1.73 0.00 0.00 68.15 69.86 1ocz h THR 27 CO 0.27 0.18 0.52 0.44 -0.25 0.00 0.00 175.52 176.68 1ocz h ASP 28 N 0.00 0.82 -0.03 5.36 5.19 -1.89 0.92 116.42 126.79 1ocz h ASP 28 Ca -0.00 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.26 1ocz h ASP 28 Cb 0.33 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1ocz h ASP 28 CO 0.02 0.56 -0.53 -1.13 -3.12 0.00 0.00 179.24 175.05 1ocz h ASN 29 N 0.95 0.51 -0.36 6.45 -1.24 -1.43 -1.48 115.58 118.98 1ocz h ASN 29 Ca 0.32 -0.73 -0.01 0.00 0.71 0.00 0.00 56.30 56.59 1ocz h ASN 29 Cb 0.07 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1ocz h ASN 29 CO -0.09 1.17 0.20 0.16 -1.29 0.00 0.00 177.43 177.57 1ocz h ILE 30 N -0.10 1.14 -0.53 2.57 3.07 -0.94 0.93 117.51 123.66 1ocz h ILE 30 Ca -0.06 -0.36 0.06 0.00 1.55 0.00 0.00 64.86 66.06 1ocz h ILE 30 Cb 1.22 0.72 -0.05 0.00 -0.27 0.00 0.00 36.82 38.44 1ocz h ILE 30 CO 0.11 0.14 0.23 -0.07 -1.05 0.00 0.00 178.15 177.50 1ocz h LEU 31 N 0.46 0.28 0.37 0.16 3.38 -0.89 0.24 115.31 119.30 1ocz h LEU 31 Ca 0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ocz h LEU 31 Cb 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ocz h LEU 31 CO -0.02 0.19 -0.24 0.22 0.09 0.00 0.00 178.44 178.68 1ocz h TYR 32 N 0.43 -0.64 -0.22 1.13 3.20 -0.74 -0.46 116.97 119.68 1ocz h TYR 32 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1ocz h TYR 32 Cb 0.23 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1ocz h TYR 32 CO -0.13 -0.37 0.05 0.00 -1.64 0.00 0.00 178.16 176.06 1ocz h ARG 33 N -0.59 0.31 0.18 1.82 3.08 -0.29 -0.62 114.38 118.26 1ocz h ARG 33 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ocz h ARG 33 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ocz h ARG 33 CO 0.03 0.30 -0.09 0.28 -1.07 0.00 0.00 179.97 179.42 1ocz h VAL 34 N 0.31 0.92 -0.22 2.04 2.07 -0.19 -2.31 116.25 118.87 1ocz h VAL 34 Ca 0.08 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1ocz h VAL 34 Cb 0.13 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1ocz h VAL 34 CO -0.00 0.19 -0.03 0.74 0.02 0.00 0.00 177.57 178.49 1ocz h THR 35 N -0.72 0.81 -0.04 2.57 2.02 -0.95 -1.79 112.91 114.82 1ocz h THR 35 Ca -0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1ocz h THR 35 Cb 0.50 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1ocz h THR 35 CO 0.04 0.01 -0.02 0.24 0.37 0.00 0.00 175.52 176.16 1ocz h MET 36 N 0.03 0.05 0.23 6.66 2.07 -1.16 -2.08 114.93 120.73 1ocz h MET 36 Ca 0.10 -0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.72 1ocz h MET 36 Cb 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1ocz h MET 36 CO -0.20 0.08 -0.11 1.15 1.07 0.00 0.00 176.91 178.90 1ocz h THR 37 N 0.05 0.48 -0.85 2.22 2.02 -0.93 -2.80 112.91 113.11 1ocz h THR 37 Ca 0.01 -0.96 0.11 0.00 0.77 0.00 0.00 66.41 66.34 1ocz h THR 37 Cb 0.07 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 1ocz h THR 37 CO 0.00 0.13 0.48 -0.07 0.37 0.00 0.00 175.52 176.43 1ocz h LEU 38 N -0.98 0.66 0.16 2.58 3.38 -1.28 0.35 115.31 120.18 1ocz h LEU 38 Ca -0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ocz h LEU 38 Cb 0.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ocz h LEU 38 CO 0.05 0.35 -0.13 0.00 0.09 0.00 0.00 178.44 178.80 1ocz h LEU 40 N -0.30 0.13 0.25 0.00 3.38 -1.09 0.30 115.31 117.98 1ocz h LEU 40 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ocz h LEU 40 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ocz h LEU 40 CO -0.01 0.18 -0.20 1.23 0.09 0.00 0.00 178.44 179.73 1ocz h GLY 41 N 0.08 -0.46 -0.10 0.83 0.00 -0.90 -0.92 103.07 101.61 1ocz h GLY 41 Ca 0.04 0.22 0.17 0.00 0.00 0.00 0.00 47.33 47.76 1ocz h GLY 41 CO -0.01 -0.19 0.22 -1.33 0.00 0.00 0.00 176.54 175.23 1ocz h GLY 42 N -0.45 1.11 1.01 4.60 0.00 -0.35 0.43 103.07 109.41 1ocz h GLY 42 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1ocz h GLY 42 CO -0.01 -0.21 0.40 -0.84 0.00 0.00 0.00 176.54 175.88 1ocz h THR 43 N 0.30 1.15 -0.52 4.70 2.02 -0.40 -0.51 112.91 119.65 1ocz h THR 43 Ca 0.44 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1ocz h THR 43 Cb 0.77 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ocz h THR 43 CO -0.51 0.15 0.21 -0.07 0.37 0.00 0.00 175.52 175.66 1ocz h LEU 44 N 0.81 0.72 -0.20 2.58 3.38 0.84 -0.37 115.31 123.07 1ocz h LEU 44 Ca 0.22 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ocz h LEU 44 Cb -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1ocz h LEU 44 CO -0.05 0.70 0.05 0.22 0.09 0.00 0.00 178.44 179.45 1ocz h TYR 45 N 0.71 0.09 -0.35 1.13 3.20 0.50 0.05 116.97 122.29 1ocz h TYR 45 Ca 0.17 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1ocz h TYR 45 Cb 0.20 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1ocz h TYR 45 CO 0.01 0.04 0.05 0.66 -1.64 0.00 0.00 178.16 177.27 1ocz h SER 46 N 0.14 0.49 -0.64 -2.11 4.64 -0.91 0.80 113.55 115.95 1ocz h SER 46 Ca 0.09 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 1ocz h SER 46 Cb 0.07 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1ocz h SER 46 CO -0.11 0.53 0.09 -0.07 -0.87 0.00 0.00 176.83 176.40 1ocz h LEU 47 N 0.51 1.03 -0.66 5.97 4.07 -0.02 -0.03 115.31 126.18 1ocz h LEU 47 Ca 0.12 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 1ocz h LEU 47 Cb 0.26 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1ocz h LEU 47 CO 0.00 1.04 0.23 0.22 -1.08 0.00 0.00 178.44 178.85 1ocz h TYR 48 N 0.98 1.03 0.64 1.13 3.20 0.12 -2.93 116.97 121.14 1ocz h TYR 48 Ca 0.19 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ocz h TYR 48 Cb 0.45 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.43 1ocz h TYR 48 CO 0.03 0.82 -0.31 0.00 -1.64 0.00 0.00 178.16 177.07 1ocz n LEU 50 N -5.37 0.00 -0.12 0.00 4.77 -0.05 -0.59 117.00 115.64 1ocz n LEU 50 Ca -0.12 0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1ocz n LEU 50 Cb 0.36 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1ocz n LEU 50 CO 0.30 -0.31 -1.30 0.61 -1.33 0.00 0.00 177.39 175.36 1ocz n GLY 51 N -1.29 -0.35 0.25 -0.72 0.00 -1.11 -3.62 105.19 98.34 1ocz n GLY 51 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1ocz n GLY 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ocz h TRP 52 N -0.36 0.06 -0.27 1.61 7.01 0.37 -0.20 115.95 124.16 1ocz h TRP 52 Ca -0.56 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.43 1ocz h TRP 52 Cb 1.70 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.74 1ocz h TRP 52 CO -0.02 0.13 0.00 0.00 -2.79 0.00 0.00 178.44 175.76 1ocz n ALA 53 N -2.52 2.48 0.57 2.65 0.00 0.24 -3.71 120.51 120.22 1ocz n ALA 53 Ca -0.02 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 52.97 1ocz n ALA 53 Cb 0.17 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.68 1ocz n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ocz n SER 54 N 0.41 0.64 -4.62 0.00 2.88 -0.09 -4.91 113.62 107.93 1ocz n SER 54 Ca 0.13 -0.08 -0.27 0.00 -1.33 0.00 0.00 58.87 57.32 1ocz n SER 54 Cb 0.30 0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 64.22 1ocz n SER 54 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1ocz s PHE 55 N -3.18 2.76 -1.30 0.66 0.40 -1.24 -5.09 117.98 110.98 1ocz s PHE 55 Ca 0.05 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1ocz s PHE 55 Cb 0.14 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1ocz s PHE 55 CO 0.77 0.51 0.33 -2.30 0.70 0.00 0.00 175.22 175.22