#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrd n TRP 2 N 0.00 -1.93 -2.90 2.03 7.02 -1.26 0.52 117.44 120.92 1xrd n TRP 2 Ca 0.00 0.79 -0.16 0.00 -1.02 0.00 0.00 57.50 57.11 1xrd n TRP 2 Cb 0.00 -2.48 -0.01 0.00 -2.42 0.00 0.00 31.31 26.40 1xrd n TRP 2 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1xrd n ARG 3 N -2.33 -2.82 -3.75 -0.99 3.00 -1.26 -1.26 116.66 107.24 1xrd n ARG 3 Ca -0.29 0.45 -0.26 0.00 -0.01 0.00 0.00 57.85 57.74 1xrd n ARG 3 Cb 0.65 -5.08 0.02 0.00 0.00 0.00 0.00 32.46 28.05 1xrd n ARG 3 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1xrd n ILE 4 N -3.52 -4.73 -3.36 0.55 2.08 0.18 -1.55 119.36 109.01 1xrd n ILE 4 Ca -0.06 -0.71 -0.26 0.00 0.56 0.00 0.00 62.75 62.28 1xrd n ILE 4 Cb 0.56 -3.75 -0.05 0.00 -0.75 0.00 0.00 39.64 35.66 1xrd n ILE 4 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1xrd n TRP 5 N -4.24 -0.84 -3.12 1.39 7.02 -0.39 -0.39 117.44 116.87 1xrd n TRP 5 Ca -0.22 0.41 -0.20 0.00 -1.02 0.00 0.00 57.50 56.47 1xrd n TRP 5 Cb 0.65 -1.18 -0.04 0.00 -2.42 0.00 0.00 31.31 28.31 1xrd n TRP 5 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xrd n GLN 6 N -2.75 -1.39 0.05 -0.99 6.02 -0.60 -4.73 117.38 112.98 1xrd n GLN 6 Ca 0.07 0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.98 1xrd n GLN 6 Cb 0.31 -3.43 -0.14 0.00 1.02 0.00 0.00 30.24 28.00 1xrd n GLN 6 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xrd h LEU 7 N -0.41 0.29 -5.09 1.08 3.38 -0.95 -3.39 115.31 110.21 1xrd h LEU 7 Ca -0.28 -0.42 -0.26 0.00 0.09 0.00 0.00 57.88 57.01 1xrd h LEU 7 Cb 0.92 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.18 1xrd h LEU 7 CO 0.43 1.35 -1.09 0.33 0.09 0.00 0.00 178.44 179.55 1xrd n PHE 8 N -3.38 1.26 -1.38 1.13 7.35 -1.26 -4.84 117.46 116.34 1xrd n PHE 8 Ca -0.15 -2.01 -0.31 0.00 -0.76 0.00 0.00 57.45 54.22 1xrd n PHE 8 Cb 1.03 -0.23 0.09 0.00 0.35 0.00 0.00 39.48 40.72 1xrd n PHE 8 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1xrd s ASP 9 N -3.64 4.57 0.04 -2.13 1.11 -1.26 -4.82 116.67 110.54 1xrd s ASP 9 Ca 0.29 1.64 -0.25 0.00 0.18 0.00 0.00 52.55 54.41 1xrd s ASP 9 Cb 0.33 -2.39 -0.17 0.00 1.07 0.00 0.00 42.92 41.76 1xrd s ASP 9 CO -0.04 -1.96 1.48 1.55 1.18 0.00 0.00 175.17 177.37 1xrd h PRO 10 N -1.08 -0.11 -0.02 8.23 0.13 -1.97 0.52 132.00 137.69 1xrd h PRO 10 Ca -0.45 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1xrd h PRO 10 Cb 1.24 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xrd h PRO 10 CO 0.54 0.13 -0.07 0.00 -0.23 0.00 0.00 178.00 178.37 1xrd h ARG 11 N -0.35 0.09 0.19 0.86 2.47 -1.98 -1.51 114.38 114.14 1xrd h ARG 11 Ca -0.01 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1xrd h ARG 11 Cb 0.30 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1xrd h ARG 11 CO 0.02 0.69 -0.15 1.96 0.56 0.00 0.00 179.97 183.05 1xrd h GLN 12 N -0.50 -0.34 -0.55 0.04 1.08 -1.93 0.12 115.11 113.04 1xrd h GLN 12 Ca -0.00 0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1xrd h GLN 12 Cb 0.70 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1xrd h GLN 12 CO 0.02 -0.23 0.20 0.00 -0.95 0.00 0.00 178.83 177.87 1xrd h ALA 13 N 0.44 1.32 -0.54 3.87 0.00 -0.99 -1.57 119.26 121.78 1xrd h ALA 13 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1xrd h ALA 13 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xrd h ALA 13 CO -0.02 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.62 1xrd h LEU 14 N 0.79 0.98 -1.56 0.00 3.38 -0.88 -1.76 115.31 116.24 1xrd h LEU 14 Ca 0.19 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1xrd h LEU 14 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xrd h LEU 14 CO -0.01 1.07 -0.15 0.58 0.09 0.00 0.00 178.44 180.01 1xrd h VAL 15 N 0.86 0.48 -0.02 1.22 2.07 -0.35 -1.62 116.25 118.90 1xrd h VAL 15 Ca 0.15 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1xrd h VAL 15 Cb 0.59 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1xrd h VAL 15 CO 0.04 0.15 -0.14 1.23 0.02 0.00 0.00 177.57 178.86 1xrd h GLY 16 N 1.46 0.14 0.92 2.17 0.00 -0.64 -1.61 103.07 105.51 1xrd h GLY 16 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1xrd h GLY 16 CO 0.02 0.19 -0.31 1.41 0.00 0.00 0.00 176.54 177.85 1xrd h LEU 17 N -0.52 -0.74 -0.30 3.11 3.38 -1.18 0.45 115.31 119.52 1xrd h LEU 17 Ca -0.01 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xrd h LEU 17 Cb 0.84 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1xrd h LEU 17 CO 0.03 -0.46 -0.11 0.00 0.09 0.00 0.00 178.44 177.98 1xrd h ALA 18 N -0.67 0.14 -0.12 1.53 0.00 -1.42 -0.77 119.26 117.95 1xrd h ALA 18 Ca -0.09 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xrd h ALA 18 Cb 0.70 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xrd h ALA 18 CO 0.15 -0.50 -0.29 1.15 0.00 0.00 0.00 179.25 179.76 1xrd h THR 19 N -0.06 1.25 0.03 0.00 2.02 -1.26 -0.75 112.91 114.14 1xrd h THR 19 Ca 0.15 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1xrd h THR 19 Cb 0.28 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1xrd h THR 19 CO -0.34 0.36 -0.02 -0.26 0.37 0.00 0.00 175.52 175.63 1xrd h PHE 20 N 0.19 -0.04 -0.20 3.16 -1.00 0.13 0.44 116.94 119.62 1xrd h PHE 20 Ca 0.03 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1xrd h PHE 20 Cb 0.61 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 1xrd h PHE 20 CO 0.01 -0.02 -0.03 1.37 -1.61 0.00 0.00 178.31 178.02 1xrd h LEU 21 N -0.04 0.27 0.76 1.54 -0.00 -1.36 0.18 115.31 116.65 1xrd h LEU 21 Ca -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1xrd h LEU 21 Cb 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1xrd h LEU 21 CO 0.01 0.35 -0.40 0.15 -0.00 0.00 0.00 178.44 178.55 1xrd h PHE 22 N 0.29 -1.05 0.16 0.17 3.57 -1.11 0.12 116.94 119.08 1xrd h PHE 22 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xrd h PHE 22 Cb 0.25 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1xrd h PHE 22 CO 0.00 -0.63 -0.08 -0.39 -2.23 0.00 0.00 178.31 174.99 1xrd h VAL 23 N -1.07 0.96 0.01 1.41 -1.51 -0.75 -1.56 116.25 113.74 1xrd h VAL 23 Ca -0.10 -0.58 0.03 0.00 -1.23 0.00 0.00 66.70 64.82 1xrd h VAL 23 Cb 0.84 1.32 -0.05 0.00 -2.13 0.00 0.00 31.29 31.26 1xrd h VAL 23 CO 0.14 0.14 -0.40 0.25 -1.23 0.00 0.00 177.57 176.47 1xrd h LEU 24 N -0.49 -1.19 -1.63 4.19 7.12 -1.00 -1.39 115.31 120.91 1xrd h LEU 24 Ca -0.02 0.15 0.02 0.00 0.13 0.00 0.00 57.88 58.16 1xrd h LEU 24 Cb 0.38 0.47 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 1xrd h LEU 24 CO 0.04 -0.44 0.28 0.00 -0.13 0.00 0.00 178.44 178.18 1xrd h ALA 25 N 0.02 1.78 0.14 1.25 0.00 -0.80 -0.79 119.26 120.86 1xrd h ALA 25 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xrd h ALA 25 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xrd h ALA 25 CO -0.30 0.18 -0.07 1.37 0.00 0.00 0.00 179.25 180.43 1xrd h LEU 26 N 0.49 -0.16 -0.06 0.00 8.10 -0.26 0.27 115.31 123.68 1xrd h LEU 26 Ca 0.16 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1xrd h LEU 26 Cb 0.05 0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.31 1xrd h LEU 26 CO -0.04 0.10 -0.00 0.17 -4.11 0.00 0.00 178.44 174.56 1xrd h LEU 27 N -0.43 0.11 0.86 0.17 -0.00 -1.07 -0.77 115.31 114.16 1xrd h LEU 27 Ca -0.02 -0.31 -0.04 0.00 -0.00 0.00 0.00 57.88 57.50 1xrd h LEU 27 Cb 0.34 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1xrd h LEU 27 CO 0.03 0.39 -0.41 0.40 -0.00 0.00 0.00 178.44 178.86 1xrd h ILE 28 N -0.18 0.14 -0.74 0.15 5.03 -1.19 -1.81 117.51 118.90 1xrd h ILE 28 Ca 0.02 -0.04 0.15 0.00 -0.12 0.00 0.00 64.86 64.86 1xrd h ILE 28 Cb 0.34 0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 34.22 1xrd h ILE 28 CO 0.00 0.00 0.50 -0.74 -0.68 0.00 0.00 178.15 177.23 1xrd h HIS 29 N -1.18 0.47 -0.65 1.37 2.76 -0.53 0.76 115.15 118.15 1xrd h HIS 29 Ca -0.12 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.01 1xrd h HIS 29 Cb 0.89 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1xrd h HIS 29 CO -0.01 0.18 0.18 0.35 -1.30 0.00 0.00 177.93 177.33 1xrd h PHE 30 N 0.41 1.03 -0.08 5.26 3.57 -0.79 0.19 116.94 126.53 1xrd h PHE 30 Ca 0.36 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1xrd h PHE 30 Cb 0.83 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1xrd h PHE 30 CO -0.00 0.83 -0.22 0.97 -2.23 0.00 0.00 178.31 177.66 1xrd h ILE 31 N 0.96 1.42 0.32 1.41 6.09 -0.03 -0.87 117.51 126.81 1xrd h ILE 31 Ca 0.21 -1.57 -0.02 0.00 -1.37 0.00 0.00 64.86 62.11 1xrd h ILE 31 Cb 0.30 2.23 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1xrd h ILE 31 CO -0.00 0.45 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.30 1xrd h LEU 32 N -0.19 -0.37 -1.01 2.19 3.38 -1.19 -0.34 115.31 117.78 1xrd h LEU 32 Ca -0.01 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xrd h LEU 32 Cb 0.84 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 1xrd h LEU 32 CO 0.05 -0.08 0.65 0.25 0.09 0.00 0.00 178.44 179.40 1xrd h LEU 33 N -0.66 1.05 0.63 1.67 6.46 -0.73 0.16 115.31 123.90 1xrd h LEU 33 Ca -0.04 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1xrd h LEU 33 Cb 0.47 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1xrd h LEU 33 CO 0.07 0.67 -0.30 -1.28 -0.62 0.00 0.00 178.44 176.98 1xrd h SER 34 N 1.19 -0.71 -0.11 1.25 0.87 -1.00 0.30 113.55 115.33 1xrd h SER 34 Ca 0.43 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1xrd h SER 34 Cb 0.15 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1xrd h SER 34 CO -0.17 -0.46 0.07 0.74 -0.53 0.00 0.00 176.83 176.48 1xrd h THR 35 N -0.92 1.05 -0.57 2.23 2.02 -0.78 -1.45 112.91 114.49 1xrd h THR 35 Ca -0.09 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1xrd h THR 35 Cb 0.67 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1xrd h THR 35 CO 0.14 0.05 0.23 -0.08 0.37 0.00 0.00 175.52 176.23 1xrd h GLU 36 N 0.12 0.82 -0.35 6.66 4.81 -0.69 -1.58 114.58 124.39 1xrd h GLU 36 Ca 0.04 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1xrd h GLU 36 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1xrd h GLU 36 CO -0.01 0.68 0.09 -0.09 -0.73 0.00 0.00 179.01 178.95 1xrd h ARG 37 N 0.82 0.55 0.87 1.92 2.43 -0.06 0.31 114.38 121.21 1xrd h ARG 37 Ca 0.20 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1xrd h ARG 37 Cb 0.16 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1xrd h ARG 37 CO -0.02 0.59 -0.42 0.35 -1.51 0.00 0.00 179.97 178.96 1xrd h PHE 38 N 0.41 -1.08 0.00 2.20 3.04 -0.93 -1.75 116.94 118.82 1xrd h PHE 38 Ca 0.11 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1xrd h PHE 38 Cb 0.28 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1xrd h PHE 38 CO 0.01 -0.67 0.00 -0.91 -2.02 0.00 0.00 178.31 174.72 1xrd h ASN 39 N -1.22 0.00 0.00 0.41 2.35 -1.32 0.34 115.58 116.14 1xrd h ASN 39 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1xrd h ASN 39 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1xrd h ASN 39 CO 0.20 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.77 1xrd n TRP 40 N -2.91 0.00 0.26 1.19 7.02 0.11 -1.78 117.44 121.33 1xrd n TRP 40 Ca -0.02 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.59 1xrd n TRP 40 Cb 0.08 -0.49 0.67 0.00 -2.42 0.00 0.00 31.31 29.15 1xrd n TRP 40 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1xrd h LEU 41 N 0.00 0.00 0.00 -0.99 5.85 -1.20 -1.75 115.31 117.22 1xrd h LEU 41 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xrd h LEU 41 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xrd h LEU 41 CO 0.00 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.31 1xrd n GLU 42 N -2.45 0.00 0.00 1.25 2.13 0.12 -3.32 120.64 118.37 1xrd n GLU 42 Ca -0.01 0.47 0.11 0.00 0.66 0.00 0.00 57.16 58.39 1xrd n GLU 42 Cb 0.11 -1.38 0.58 0.00 0.27 0.00 0.00 31.44 31.02 1xrd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xrd n GLY 43 N -0.41 -0.90 0.20 8.31 0.00 -0.73 -3.15 105.19 108.52 1xrd n GLY 43 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1xrd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrd h ALA 44 N 3.13 1.37 0.00 4.61 0.00 -1.31 2.03 119.26 129.09 1xrd h ALA 44 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xrd h ALA 44 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xrd h ALA 44 CO 0.00 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.13 1xrd n SER 45 N -4.13 0.00 0.02 0.00 7.64 -1.19 -4.33 113.62 111.63 1xrd n SER 45 Ca -0.02 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1xrd n SER 45 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1xrd n SER 45 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xrd n THR 46 N -0.97 0.00 -1.18 0.44 -2.24 -0.86 -5.17 114.28 104.30 1xrd n THR 46 Ca 0.18 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.10 1xrd n THR 46 Cb 0.08 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 1xrd n THR 46 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xrd n LYS 47 N -2.61 -2.66 0.38 -0.78 5.02 0.68 -4.66 118.16 113.53 1xrd n LYS 47 Ca 0.00 2.11 -0.17 0.00 -2.02 0.00 0.00 58.31 58.22 1xrd n LYS 47 Cb 0.00 -3.13 -0.09 0.00 -0.02 0.00 0.00 35.03 31.79 1xrd n LYS 47 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1xrd h PRO 48 N -1.15 -0.93 0.00 1.97 0.13 -1.99 -3.46 132.00 126.57 1xrd h PRO 48 Ca -0.13 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1xrd h PRO 48 Cb 1.12 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1xrd h PRO 48 CO 0.05 -0.60 0.00 0.28 -0.23 0.00 0.00 178.00 177.51 1xrd n VAL 49 N -5.47 0.00 -0.28 1.56 0.31 -1.26 -5.17 118.33 108.02 1xrd n VAL 49 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xrd n VAL 49 Cb 0.40 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1xrd n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xrd n GLN 50 N -2.93 -0.79 -2.59 5.55 6.02 -1.26 -4.75 117.38 116.62 1xrd n GLN 50 Ca 0.00 0.58 -0.43 0.00 -0.01 0.00 0.00 57.00 57.14 1xrd n GLN 50 Cb 0.00 -0.64 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 1xrd n GLN 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xrd s THR 51 N -1.62 4.12 0.00 5.09 2.01 -1.26 -5.23 115.64 118.75 1xrd s THR 51 Ca 0.00 -1.70 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1xrd s THR 51 Cb 0.00 -5.16 0.00 0.00 0.01 0.00 0.00 72.50 67.35 1xrd s THR 51 CO 0.00 -1.99 0.00 -1.20 -0.69 0.00 0.00 174.62 170.74