#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2py8 h THR 3 N 0.00 1.29 -0.57 -0.39 2.02 -2.06 -3.25 112.91 109.95 2py8 h THR 3 Ca 0.00 -1.16 0.08 0.00 0.77 0.00 0.00 66.41 66.10 2py8 h THR 3 Cb 0.00 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2py8 h THR 3 CO 0.00 0.37 0.23 0.50 0.37 0.00 0.00 175.52 176.99 2py8 h LYS 4 N 0.31 0.42 -0.10 6.66 3.64 -2.05 -1.35 116.57 124.09 2py8 h LYS 4 Ca 0.07 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2py8 h LYS 4 Cb 0.59 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2py8 h LYS 4 CO 0.03 0.28 -0.52 0.45 -2.27 0.00 0.00 179.45 177.42 2py8 h HIS 5 N 0.43 0.35 0.00 1.91 3.86 -1.99 0.06 115.15 119.76 2py8 h HIS 5 Ca 0.28 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 2py8 h HIS 5 Cb 0.30 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2py8 h HIS 5 CO -0.15 0.74 -0.46 -0.84 0.86 0.00 0.00 177.93 178.09 2py8 h ILE 6 N 0.22 0.82 -0.06 2.45 -0.00 -1.54 -1.18 117.51 118.22 2py8 h ILE 6 Ca 0.01 -2.06 -0.07 0.00 -0.00 0.00 0.00 64.86 62.74 2py8 h ILE 6 Cb 0.99 2.34 0.00 0.00 -0.00 0.00 0.00 36.82 40.15 2py8 h ILE 6 CO 0.08 0.45 -0.22 0.00 -0.00 0.00 0.00 178.15 178.46 2py8 h ALA 7 N 1.54 0.11 -0.58 0.16 0.00 -0.97 -0.87 119.26 118.65 2py8 h ALA 7 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2py8 h ALA 7 Cb 1.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2py8 h ALA 7 CO 0.06 0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.69 2py8 h GLN 8 N -0.25 0.79 -0.32 0.00 4.20 -1.01 -1.33 115.11 117.19 2py8 h GLN 8 Ca -0.01 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.46 2py8 h GLN 8 Cb 0.86 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 2py8 h GLN 8 CO 0.05 0.57 -0.44 0.00 -0.67 0.00 0.00 178.83 178.34 2py8 h ALA 9 N 1.56 0.48 -0.52 3.87 0.00 -1.21 -2.90 119.26 120.55 2py8 h ALA 9 Ca 0.21 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2py8 h ALA 9 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2py8 h ALA 9 CO -0.04 0.63 0.14 1.15 0.00 0.00 0.00 179.25 181.13 2py8 h THR 10 N 0.65 1.24 -0.22 0.00 2.02 -0.89 -2.88 112.91 112.83 2py8 h THR 10 Ca 0.04 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.42 2py8 h THR 10 Cb 1.04 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2py8 h THR 10 CO 0.10 0.30 0.03 0.58 0.37 0.00 0.00 175.52 176.91 2py8 h VAL 11 N 0.71 0.89 -0.48 3.16 2.07 -1.27 0.64 116.25 121.98 2py8 h VAL 11 Ca 0.16 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2py8 h VAL 11 Cb 0.31 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 2py8 h VAL 11 CO -0.00 0.02 0.03 0.11 0.02 0.00 0.00 177.57 177.75 2py8 h LYS 12 N 0.11 0.14 -0.73 1.57 1.57 -1.49 0.24 116.57 117.99 2py8 h LYS 12 Ca 0.10 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2py8 h LYS 12 Cb 0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2py8 h LYS 12 CO -0.14 0.09 0.22 0.28 -0.57 0.00 0.00 179.45 179.33 2py8 h VAL 13 N 0.15 1.26 -0.41 0.50 2.07 -1.25 -1.17 116.25 117.40 2py8 h VAL 13 Ca 0.24 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2py8 h VAL 13 Cb 0.35 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2py8 h VAL 13 CO -0.37 0.36 0.03 0.25 0.02 0.00 0.00 177.57 177.85 2py8 h LEU 14 N 1.08 0.68 -0.76 2.57 6.46 -0.20 -2.07 115.31 123.07 2py8 h LEU 14 Ca 0.23 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 2py8 h LEU 14 Cb 0.32 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2py8 h LEU 14 CO -0.01 0.80 0.24 -0.61 -0.62 0.00 0.00 178.44 178.24 2py8 h GLN 15 N 0.54 1.17 -0.69 1.25 4.15 -0.42 -1.03 115.11 120.08 2py8 h GLN 15 Ca 0.12 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 2py8 h GLN 15 Cb 0.43 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2py8 h GLN 15 CO 0.01 0.99 0.15 0.77 -1.93 0.00 0.00 178.83 178.83 2py8 h SER 16 N 1.12 1.06 -0.60 -0.69 0.02 -1.13 -2.40 113.55 110.93 2py8 h SER 16 Ca 0.24 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2py8 h SER 16 Cb 0.30 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2py8 h SER 16 CO -0.01 1.02 0.02 0.22 -1.14 0.00 0.00 176.83 176.94 2py8 h TYR 17 N 1.05 1.15 0.00 3.45 3.20 -1.08 -2.70 116.97 122.05 2py8 h TYR 17 Ca 0.22 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2py8 h TYR 17 Cb 0.39 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2py8 h TYR 17 CO 0.03 1.01 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.23 2py8 h LEU 18 N 0.96 0.00 0.02 2.82 3.38 -1.04 -2.51 115.31 118.95 2py8 h LEU 18 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2py8 h LEU 18 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2py8 h LEU 18 CO 0.03 0.26 -0.01 0.71 0.09 0.00 0.00 178.44 179.52 2py8 h THR 19 N 0.00 1.34 -0.84 0.22 1.35 -1.21 -1.97 112.91 111.80 2py8 h THR 19 Ca -0.00 -1.17 0.21 0.00 -0.55 0.00 0.00 66.41 64.90 2py8 h THR 19 Cb 0.57 2.12 -0.14 0.00 -1.73 0.00 0.00 68.15 68.97 2py8 h THR 19 CO 0.03 0.30 0.18 0.22 -0.25 0.00 0.00 175.52 176.00 2py8 h TYR 20 N -0.55 0.25 -0.25 4.73 5.03 -1.36 0.97 116.97 125.79 2py8 h TYR 20 Ca -0.00 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 2py8 h TYR 20 Cb 0.51 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 2py8 h TYR 20 CO 0.10 -0.21 0.12 1.96 -1.32 0.00 0.00 178.16 178.81 2py8 h GLN 21 N 0.19 0.36 -0.47 1.82 1.08 -1.38 0.56 115.11 117.27 2py8 h GLN 21 Ca 0.51 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.75 2py8 h GLN 21 Cb 0.99 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.28 2py8 h GLN 21 CO -0.65 0.35 -0.02 0.00 -0.95 0.00 0.00 178.83 177.57 2py8 h ALA 22 N 0.98 0.43 -0.14 3.87 0.00 -0.12 0.66 119.26 124.94 2py8 h ALA 22 Ca 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2py8 h ALA 22 Cb 0.11 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2py8 h ALA 22 CO -0.01 -0.40 0.08 0.28 0.00 0.00 0.00 179.25 179.20 2py8 h VAL 23 N 0.10 1.09 -0.76 0.00 2.07 -0.62 -0.06 116.25 118.07 2py8 h VAL 23 Ca 0.24 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2py8 h VAL 23 Cb 0.35 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2py8 h VAL 23 CO -0.41 0.08 0.44 -0.07 0.02 0.00 0.00 177.57 177.64 2py8 h LEU 24 N 0.14 0.67 -0.50 2.57 3.38 -0.20 -0.73 115.31 120.64 2py8 h LEU 24 Ca 0.05 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2py8 h LEU 24 Cb 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2py8 h LEU 24 CO -0.01 0.43 -0.13 -0.09 0.09 0.00 0.00 178.44 178.72 2py8 h ARG 25 N 0.81 0.98 -0.17 1.13 2.43 -0.76 -2.65 114.38 116.14 2py8 h ARG 25 Ca 0.34 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2py8 h ARG 25 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2py8 h ARG 25 CO -0.18 1.06 -0.04 0.82 -1.51 0.00 0.00 179.97 180.11 2py8 h ILE 26 N 0.84 1.14 -0.40 1.20 2.04 -0.24 -2.02 117.51 120.07 2py8 h ILE 26 Ca 0.13 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 2py8 h ILE 26 Cb 0.70 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2py8 h ILE 26 CO 0.05 0.18 -0.25 1.56 0.00 0.00 0.00 178.15 179.69 2py8 h GLN 27 N 0.25 0.88 -0.42 2.37 4.20 -1.06 -0.60 115.11 120.72 2py8 h GLN 27 Ca 0.06 -0.41 0.01 0.00 0.06 0.00 0.00 58.65 58.37 2py8 h GLN 27 Cb 0.24 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2py8 h GLN 27 CO 0.01 1.05 0.28 0.77 -0.67 0.00 0.00 178.83 180.27 2py8 h SER 28 N 0.69 0.47 0.05 1.46 0.02 -1.01 0.20 113.55 115.43 2py8 h SER 28 Ca 0.08 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2py8 h SER 28 Cb 0.82 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2py8 h SER 28 CO 0.07 0.34 -1.22 -1.84 -1.14 0.00 0.00 176.83 173.04 2py8 n GLU 29 N -4.47 0.18 0.15 3.45 0.28 -0.96 -3.78 120.64 115.48 2py8 n GLU 29 Ca 0.03 -0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.04 2py8 n GLU 29 Cb 0.07 -1.51 0.05 0.00 1.43 0.00 0.00 31.44 31.49 2py8 n GLU 29 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2py8 h LEU 30 N 0.00 0.00 -1.83 -1.84 3.38 -0.80 -3.11 115.31 111.12 2py8 h LEU 30 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2py8 h LEU 30 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2py8 h LEU 30 CO 0.00 0.37 -0.11 1.23 0.09 0.00 0.00 178.44 180.02 2py8 h GLY 31 N 3.64 0.00 0.15 0.83 0.00 -0.70 -1.56 103.07 105.43 2py8 h GLY 31 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 2py8 h GLY 31 CO 0.05 0.00 -1.64 1.18 0.00 0.00 0.00 176.54 176.13 2py8 n GLU 32 N -4.26 0.62 -0.03 4.80 1.02 -1.25 -4.43 120.64 117.11 2py8 n GLU 32 Ca -0.03 0.45 -0.12 0.00 -0.02 0.00 0.00 57.16 57.45 2py8 n GLU 32 Cb 0.19 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 2py8 n GLU 32 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2py8 h THR 33 N -0.71 1.32 -2.30 2.62 1.35 -1.54 -3.43 112.91 110.23 2py8 h THR 33 Ca -0.42 -1.67 -0.55 0.00 -0.55 0.00 0.00 66.41 63.23 2py8 h THR 33 Cb 1.54 2.35 -0.36 0.00 -1.73 0.00 0.00 68.15 69.95 2py8 h THR 33 CO -0.16 0.39 -0.91 0.21 -0.25 0.00 0.00 175.52 174.81 2py8 s ASN 34 N -5.86 1.53 0.26 5.36 2.47 -0.60 -5.02 114.94 113.08 2py8 s ASN 34 Ca -0.15 -2.72 -0.02 0.00 0.42 0.00 0.00 52.86 50.40 2py8 s ASN 34 Cb -0.01 -0.22 0.51 0.00 -1.45 0.00 0.00 41.25 40.08 2py8 s ASN 34 CO 0.58 -0.20 1.77 -0.65 -3.72 0.00 0.00 177.10 174.88 2py8 h PRO 35 N 5.96 0.64 -0.90 0.43 0.11 -1.74 -1.70 132.00 134.81 2py8 h PRO 35 Ca 0.20 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.52 2py8 h PRO 35 Cb 0.94 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 31.76 2py8 h PRO 35 CO 0.31 0.43 0.24 -1.35 -0.21 0.00 0.00 178.00 177.42 2py8 h PRO 36 N 0.66 0.17 0.00 1.05 0.11 -1.96 -0.45 132.00 131.59 2py8 h PRO 36 Ca 0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 2py8 h PRO 36 Cb 0.59 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2py8 h PRO 36 CO -0.34 0.11 -0.57 1.96 -0.21 0.00 0.00 178.00 178.96 2py8 h GLN 37 N 0.18 0.00 -0.62 1.05 1.08 -1.66 -2.18 115.11 112.96 2py8 h GLN 37 Ca 0.58 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.70 2py8 h GLN 37 Cb 1.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.60 2py8 h GLN 37 CO -0.69 0.57 0.10 0.00 -0.95 0.00 0.00 178.83 177.86 2py8 h ALA 38 N 1.43 1.00 0.06 3.87 0.00 -0.62 -1.22 119.26 123.79 2py8 h ALA 38 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 2py8 h ALA 38 Cb 1.39 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.96 2py8 h ALA 38 CO 0.07 0.63 -1.13 0.97 0.00 0.00 0.00 179.25 179.80 2py8 h ILE 39 N 0.95 1.33 -0.42 0.00 2.10 -1.21 -2.81 117.51 117.45 2py8 h ILE 39 Ca 0.19 -2.46 -0.04 0.00 1.08 0.00 0.00 64.86 63.63 2py8 h ILE 39 Cb 0.41 2.57 -0.02 0.00 -1.09 0.00 0.00 36.82 38.70 2py8 h ILE 39 CO 0.01 0.74 0.11 -0.25 -1.08 0.00 0.00 178.15 177.68 2py8 h TRP 40 N 0.28 0.71 -0.16 2.19 7.01 -1.33 -1.07 115.95 123.57 2py8 h TRP 40 Ca -0.14 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 60.71 2py8 h TRP 40 Cb 1.79 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.64 2py8 h TRP 40 CO 0.09 0.66 -0.18 1.25 -2.79 0.00 0.00 178.44 177.48 2py8 h LEU 41 N 0.54 0.25 -0.35 0.65 5.85 -1.31 -1.08 115.31 119.87 2py8 h LEU 41 Ca 0.13 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2py8 h LEU 41 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2py8 h LEU 41 CO 0.00 0.45 0.01 -1.13 -0.34 0.00 0.00 178.44 177.43 2py8 h ASN 42 N 0.25 0.59 -0.67 1.25 -0.00 -1.21 -2.68 115.58 113.11 2py8 h ASN 42 Ca 0.05 -0.30 -0.05 0.00 -0.00 0.00 0.00 56.30 55.99 2py8 h ASN 42 Cb 0.46 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.60 2py8 h ASN 42 CO 0.03 0.75 0.23 1.56 -0.00 0.00 0.00 177.43 180.00 2py8 h GLN 43 N 0.42 1.04 -0.50 6.67 4.20 -0.75 -2.91 115.11 123.28 2py8 h GLN 43 Ca 0.10 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2py8 h GLN 43 Cb 0.44 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2py8 h GLN 43 CO 0.02 0.88 0.29 -0.92 -0.67 0.00 0.00 178.83 178.43 2py8 h TYR 44 N 1.01 0.67 -0.23 2.96 5.03 -1.14 -2.21 116.97 123.05 2py8 h TYR 44 Ca 0.23 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.58 2py8 h TYR 44 Cb 0.26 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 2py8 h TYR 44 CO 0.02 0.48 0.16 -0.07 -1.32 0.00 0.00 178.16 177.44 2py8 h LEU 45 N 0.67 0.06 -0.62 2.82 3.38 -1.34 -0.13 115.31 120.15 2py8 h LEU 45 Ca 0.18 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2py8 h LEU 45 Cb 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2py8 h LEU 45 CO -0.03 0.04 0.10 0.00 0.09 0.00 0.00 178.44 178.64 2py8 h ALA 46 N 1.88 0.82 -0.02 1.53 0.00 -1.21 -3.28 119.26 118.99 2py8 h ALA 46 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2py8 h ALA 46 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2py8 h ALA 46 CO -0.01 0.58 -0.07 -1.13 0.00 0.00 0.00 179.25 178.62 2py8 n SER 47 N -4.28 2.10 -3.97 0.00 3.41 -1.08 -4.93 113.62 104.86 2py8 n SER 47 Ca 0.03 -1.55 -0.29 0.00 -0.26 0.00 0.00 58.87 56.81 2py8 n SER 47 Cb 0.28 0.11 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 2py8 n SER 47 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2py8 s HIS 48 N -1.39 1.97 0.14 7.33 3.76 -0.08 -5.11 115.29 121.91 2py8 s HIS 48 Ca 0.16 -1.12 -0.31 0.00 -0.15 0.00 0.00 55.06 53.64 2py8 s HIS 48 Cb 0.13 -1.48 -0.10 0.00 1.11 0.00 0.00 32.58 32.24 2py8 s HIS 48 CO 0.23 -0.63 1.56 0.45 -0.85 0.00 0.00 174.74 175.50 2py8 s SER 49 N 1.55 6.61 0.00 1.40 0.15 -1.26 -4.55 113.70 117.60 2py8 s SER 49 Ca 0.04 2.56 0.17 0.00 0.70 0.00 0.00 55.95 59.42 2py8 s SER 49 Cb -0.13 -2.59 0.39 0.00 -1.71 0.00 0.00 66.02 61.98 2py8 s SER 49 CO -0.09 -0.82 1.31 0.00 1.20 0.00 0.00 173.24 174.83 2py8 n ILE 50 N 4.09 0.75 0.26 6.45 3.06 -1.26 -4.43 119.36 128.28 2py8 n ILE 50 Ca 0.14 -0.87 0.12 0.00 -2.50 0.00 0.00 62.75 59.64 2py8 n ILE 50 Cb 0.39 0.72 0.69 0.00 0.54 0.00 0.00 39.64 41.97 2py8 n ILE 50 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2py8 h GLN 51 N 3.19 0.00 -4.70 9.51 1.08 -1.92 -3.33 115.11 118.95 2py8 h GLN 51 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 2py8 h GLN 51 Cb 0.82 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.96 2py8 h GLN 51 CO 0.00 0.14 -0.62 1.21 -0.95 0.00 0.00 178.83 178.61 2py8 s ASN 52 N -6.17 5.24 0.38 1.46 3.84 -1.26 -4.90 114.94 113.54 2py8 s ASN 52 Ca -0.02 -1.12 0.05 0.00 0.21 0.00 0.00 52.86 51.97 2py8 s ASN 52 Cb 0.13 -1.85 0.75 0.00 -0.55 0.00 0.00 41.25 39.73 2py8 s ASN 52 CO 0.59 -0.31 2.03 1.23 -2.79 0.00 0.00 177.10 177.85 2py8 h GLY 53 N 8.19 0.76 0.55 1.21 0.00 -1.81 -2.48 103.07 109.49 2py8 h GLY 53 Ca -0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2py8 h GLY 53 CO 0.59 0.26 -0.47 0.83 0.00 0.00 0.00 176.54 177.76 2py8 h GLU 54 N 0.71 0.25 -0.29 4.80 4.39 -1.94 -3.10 114.58 119.41 2py8 h GLU 54 Ca 0.21 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2py8 h GLU 54 Cb -0.03 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2py8 h GLU 54 CO -0.05 1.07 -0.00 1.15 -1.16 0.00 0.00 179.01 180.01 2py8 h THR 55 N -0.42 1.18 0.11 1.13 2.02 -1.94 -0.04 112.91 114.95 2py8 h THR 55 Ca -0.07 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2py8 h THR 55 Cb 1.26 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2py8 h THR 55 CO 0.09 0.24 -0.05 0.15 0.37 0.00 0.00 175.52 176.32 2py8 h PHE 56 N 0.43 -0.14 -0.15 3.16 3.04 -1.53 -2.46 116.94 119.29 2py8 h PHE 56 Ca 0.10 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.92 2py8 h PHE 56 Cb 0.29 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 2py8 h PHE 56 CO 0.01 0.02 -0.43 -0.07 -2.02 0.00 0.00 178.31 175.82 2py8 h LEU 57 N -0.27 0.38 -0.61 0.59 3.38 -1.43 -1.42 115.31 115.93 2py8 h LEU 57 Ca -0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2py8 h LEU 57 Cb 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2py8 h LEU 57 CO 0.02 0.77 0.15 0.74 0.09 0.00 0.00 178.44 180.22 2py8 h THR 58 N 0.30 1.25 0.00 0.22 2.02 -1.00 -2.94 112.91 112.76 2py8 h THR 58 Ca 0.02 -0.91 -0.19 0.00 0.77 0.00 0.00 66.41 66.11 2py8 h THR 58 Cb 0.89 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2py8 h THR 58 CO 0.07 0.34 -0.91 -0.08 0.37 0.00 0.00 175.52 175.32 2py8 h GLU 59 N 0.89 0.01 -0.65 6.66 4.81 -1.34 -3.32 114.58 121.64 2py8 h GLU 59 Ca 0.19 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2py8 h GLU 59 Cb 0.35 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2py8 h GLU 59 CO 0.00 0.91 0.10 1.25 -0.73 0.00 0.00 179.01 180.54 2py8 h LEU 60 N 0.00 1.02 -0.33 1.64 6.46 -1.17 -3.12 115.31 119.82 2py8 h LEU 60 Ca -0.01 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2py8 h LEU 60 Cb 1.60 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2py8 h LEU 60 CO 0.12 1.02 0.00 0.00 -0.62 0.00 0.00 178.44 178.96 2py8 n LEU 61 N -4.21 0.15 -0.08 2.25 -0.00 -1.12 -1.21 117.00 112.78 2py8 n LEU 61 Ca 0.04 -0.08 -0.12 0.00 -0.00 0.00 0.00 56.01 55.85 2py8 n LEU 61 Cb 0.29 -0.08 -0.15 0.00 -0.00 0.00 0.00 43.42 43.49 2py8 n LEU 61 CO 0.43 0.04 -1.03 0.47 -0.00 0.00 0.00 177.39 177.30 2py8 n ASP 62 N -0.25 0.78 -0.11 1.45 9.92 -1.18 -4.61 116.55 122.55 2py8 n ASP 62 Ca 0.00 0.08 -0.24 0.00 -0.53 0.00 0.00 54.79 54.10 2py8 n ASP 62 Cb 0.04 0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 40.72 2py8 n ASP 62 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2py8 n GLU 63 N -2.98 0.62 -3.66 -1.24 2.13 -0.35 -4.92 120.64 110.24 2py8 n GLU 63 Ca -0.32 0.28 -0.26 0.00 0.66 0.00 0.00 57.16 57.52 2py8 n GLU 63 Cb 1.09 -1.57 -0.17 0.00 0.27 0.00 0.00 31.44 31.06 2py8 n GLU 63 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2py8 s ASN 64 N -7.07 2.41 0.12 4.31 3.84 -0.52 -5.03 114.94 113.00 2py8 s ASN 64 Ca -0.34 -0.61 0.23 0.00 0.21 0.00 0.00 52.86 52.35 2py8 s ASN 64 Cb 0.11 -0.35 0.14 0.00 -0.55 0.00 0.00 41.25 40.60 2py8 s ASN 64 CO 0.57 -0.32 1.13 0.29 -2.79 0.00 0.00 177.10 175.98 2py8 n LYS 65 N 5.21 0.39 0.07 0.43 5.02 -1.26 -3.84 118.16 124.18 2py8 n LYS 65 Ca -0.07 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2py8 n LYS 65 Cb 0.49 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 2py8 n LYS 65 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2py8 h GLU 66 N 0.00 0.00 -0.31 1.97 9.09 -1.96 -3.10 114.58 120.27 2py8 h GLU 66 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 2py8 h GLU 66 Cb 0.82 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.92 2py8 h GLU 66 CO 0.00 0.15 -0.28 -0.07 0.05 0.00 0.00 179.01 178.86 2py8 h LEU 67 N 0.00 0.79 -1.07 3.06 3.38 -1.99 -1.86 115.31 117.62 2py8 h LEU 67 Ca -0.08 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.52 2py8 h LEU 67 Cb 1.31 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 2py8 h LEU 67 CO 0.02 1.09 0.62 0.58 0.09 0.00 0.00 178.44 180.84 2py8 h VAL 68 N 0.50 1.00 -0.32 1.22 2.07 -1.66 0.15 116.25 119.20 2py8 h VAL 68 Ca 0.05 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 67.04 2py8 h VAL 68 Cb 0.85 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2py8 h VAL 68 CO 0.07 0.19 -0.49 0.25 0.02 0.00 0.00 177.57 177.61 2py8 h LEU 69 N 1.03 0.97 -0.35 2.57 5.85 -1.46 -2.88 115.31 121.03 2py8 h LEU 69 Ca 0.45 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 2py8 h LEU 69 Cb 0.34 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2py8 h LEU 69 CO -0.20 1.29 -0.20 0.03 -0.34 0.00 0.00 178.44 179.01 2py8 h ARG 70 N 0.69 0.76 -0.53 1.25 3.08 -0.83 -2.47 114.38 116.34 2py8 h ARG 70 Ca 0.03 -0.35 0.07 0.00 0.07 0.00 0.00 59.98 59.81 2py8 h ARG 70 Cb 1.09 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 2py8 h ARG 70 CO 0.11 0.96 0.20 0.82 -1.07 0.00 0.00 179.97 181.00 2py8 h ILE 71 N 0.54 0.83 0.14 2.04 2.04 -0.75 0.66 117.51 123.01 2py8 h ILE 71 Ca 0.07 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2py8 h ILE 71 Cb 0.75 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2py8 h ILE 71 CO 0.06 0.07 -0.10 -0.07 0.00 0.00 0.00 178.15 178.11 2py8 h LEU 72 N 0.39 -0.26 -1.24 1.44 3.38 -1.50 0.30 115.31 117.83 2py8 h LEU 72 Ca 0.25 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 2py8 h LEU 72 Cb 0.27 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2py8 h LEU 72 CO -0.25 -0.16 -0.08 0.00 0.09 0.00 0.00 178.44 178.04 2py8 h ALA 73 N 0.61 1.37 0.12 1.53 0.00 -0.91 -2.41 119.26 119.56 2py8 h ALA 73 Ca -0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 2py8 h ALA 73 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2py8 h ALA 73 CO -0.00 0.43 -1.23 0.28 0.00 0.00 0.00 179.25 178.73 2py8 h VAL 74 N 0.40 1.51 -0.58 0.00 2.07 0.50 -3.23 116.25 116.92 2py8 h VAL 74 Ca 0.08 -3.07 -0.08 0.00 0.82 0.00 0.00 66.70 64.45 2py8 h VAL 74 Cb 0.40 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 2py8 h VAL 74 CO 0.02 0.90 0.05 -0.09 0.02 0.00 0.00 177.57 178.47 2py8 h ARG 75 N 0.07 0.96 -0.44 1.57 2.43 -0.21 -2.07 114.38 116.69 2py8 h ARG 75 Ca -0.13 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 2py8 h ARG 75 Cb 1.96 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.36 2py8 h ARG 75 CO 0.20 0.91 0.25 0.93 -1.51 0.00 0.00 179.97 180.75 2py8 h GLU 76 N 0.89 0.48 -0.58 0.20 4.39 -1.53 0.30 114.58 118.73 2py8 h GLU 76 Ca 0.17 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2py8 h GLU 76 Cb 0.45 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2py8 h GLU 76 CO 0.02 0.32 0.33 0.22 -1.16 0.00 0.00 179.01 178.74 2py8 h ASP 77 N 0.50 0.71 -0.26 1.42 1.82 -1.51 0.17 116.42 119.26 2py8 h ASP 77 Ca 0.18 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.71 2py8 h ASP 77 Cb 0.04 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2py8 h ASP 77 CO -0.10 0.58 0.04 0.40 -1.61 0.00 0.00 179.24 178.54 2py8 h ILE 78 N 0.78 1.23 0.76 2.25 2.04 -1.15 -3.04 117.51 120.38 2py8 h ILE 78 Ca 0.21 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2py8 h ILE 78 Cb 0.01 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2py8 h ILE 78 CO -0.04 0.25 -0.36 0.00 0.00 0.00 0.00 178.15 178.01 2py8 h ALA 79 N 0.85 -1.02 -1.01 1.87 0.00 0.08 -1.63 119.26 118.40 2py8 h ALA 79 Ca 0.08 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 54.99 2py8 h ALA 79 Cb 0.34 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2py8 h ALA 79 CO 0.01 -1.00 0.62 0.93 0.00 0.00 0.00 179.25 179.80 2py8 h GLU 80 N -1.16 0.57 -0.45 0.00 4.39 -0.79 0.24 114.58 117.39 2py8 h GLU 80 Ca -0.10 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2py8 h GLU 80 Cb 0.80 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2py8 h GLU 80 CO 0.17 0.38 -0.12 1.03 -1.16 0.00 0.00 179.01 179.31 2py8 h SER 81 N 0.59 0.88 0.08 1.42 0.87 -1.42 -3.39 113.55 112.58 2py8 h SER 81 Ca 0.61 -0.36 -0.37 0.00 -1.23 0.00 0.00 61.79 60.44 2py8 h SER 81 Cb 1.20 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 2py8 h SER 81 CO -0.41 1.04 -2.10 0.52 -0.53 0.00 0.00 176.83 175.36 2py8 n VAL 82 N -4.26 1.69 -0.31 2.23 0.31 0.03 -4.64 118.33 113.38 2py8 n VAL 82 Ca -0.00 -0.59 0.03 0.00 -0.01 0.00 0.00 64.34 63.77 2py8 n VAL 82 Cb 0.39 -1.68 0.18 0.00 -0.91 0.00 0.00 33.84 31.82 2py8 n VAL 82 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2py8 h LEU 83 N -0.04 0.73 -1.79 7.52 3.38 -0.82 -1.74 115.31 122.55 2py8 h LEU 83 Ca -0.47 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2py8 h LEU 83 Cb 1.94 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 2py8 h LEU 83 CO 0.01 0.41 -0.15 0.44 0.09 0.00 0.00 178.44 179.24 2py8 h ASP 84 N 0.84 0.00 1.24 -0.43 5.19 -1.81 -2.92 116.42 118.52 2py8 h ASP 84 Ca 0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 2py8 h ASP 84 Cb 0.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2py8 h ASP 84 CO -0.25 0.15 -0.77 -0.26 -3.12 0.00 0.00 179.24 175.00 2py8 h PHE 85 N 0.00 0.00 -0.83 4.55 -1.00 -1.59 -3.40 116.94 114.67 2py8 h PHE 85 Ca -0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.88 2py8 h PHE 85 Cb 0.35 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.84 2py8 h PHE 85 CO 0.00 0.05 0.46 -0.07 -1.61 0.00 0.00 178.31 177.15 2py8 h LEU 86 N 0.00 0.65 -0.38 1.54 3.38 -1.31 -1.98 115.31 117.20 2py8 h LEU 86 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2py8 h LEU 86 Cb 1.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2py8 h LEU 86 CO 0.00 0.36 0.23 -0.65 0.09 0.00 0.00 178.44 178.47 2py8 h PRO 87 N 0.76 0.46 -0.19 1.13 0.11 -1.78 -2.13 132.00 130.37 2py8 h PRO 87 Ca 0.41 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 2py8 h PRO 87 Cb 0.41 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2py8 h PRO 87 CO -0.27 0.30 -0.56 0.78 -0.21 0.00 0.00 178.00 178.05 2py8 h GLY 88 N 0.47 0.63 1.21 -0.55 0.00 -1.75 -2.77 103.07 100.31 2py8 h GLY 88 Ca 0.15 -0.74 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 2py8 h GLY 88 CO -0.06 0.67 -0.59 -0.33 0.00 0.00 0.00 176.54 176.22 2py8 h MET 89 N 0.44 0.82 -0.20 4.80 2.86 -1.40 -2.94 114.93 119.31 2py8 h MET 89 Ca 0.01 -0.55 -0.14 0.00 -2.06 0.00 0.00 59.70 56.96 2py8 h MET 89 Cb 1.11 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2py8 h MET 89 CO 0.11 1.17 -0.47 1.15 1.06 0.00 0.00 176.91 179.93 2py8 h THR 90 N 0.61 1.31 -0.38 2.22 2.02 -1.43 0.12 112.91 117.38 2py8 h THR 90 Ca 0.00 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 2py8 h THR 90 Cb 1.20 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2py8 h THR 90 CO 0.13 0.52 0.16 0.03 0.37 0.00 0.00 175.52 176.73 2py8 h ARG 91 N 0.41 0.57 -0.13 6.66 3.08 -1.55 0.22 114.38 123.64 2py8 h ARG 91 Ca 0.02 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 2py8 h ARG 91 Cb 0.98 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2py8 h ARG 91 CO 0.09 0.54 -0.46 -0.91 -1.07 0.00 0.00 179.97 178.15 2py8 h ASN 92 N 0.48 0.33 -0.27 7.04 2.35 -1.41 -1.31 115.58 122.78 2py8 h ASN 92 Ca 0.13 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2py8 h ASN 92 Cb 0.17 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2py8 h ASN 92 CO -0.01 0.75 -0.13 -1.28 -1.65 0.00 0.00 177.43 175.11 2py8 h SER 93 N 0.25 0.58 -0.31 5.81 0.87 -0.85 -2.17 113.55 117.73 2py8 h SER 93 Ca 0.02 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2py8 h SER 93 Cb 0.91 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 2py8 h SER 93 CO 0.08 0.86 0.14 -0.07 -0.53 0.00 0.00 176.83 177.31 2py8 h LEU 94 N 0.31 0.21 -1.17 2.23 3.38 -0.44 0.52 115.31 120.35 2py8 h LEU 94 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2py8 h LEU 94 Cb 0.64 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2py8 h LEU 94 CO 0.04 0.16 -0.05 0.00 0.09 0.00 0.00 178.44 178.68 2py8 h ALA 95 N 1.17 1.31 -0.10 1.53 0.00 -1.27 0.23 119.26 122.13 2py8 h ALA 95 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2py8 h ALA 95 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2py8 h ALA 95 CO -0.10 0.46 -0.53 1.49 0.00 0.00 0.00 179.25 180.58 2py8 h GLU 96 N 0.49 0.27 -0.05 0.00 4.57 -0.96 -2.29 114.58 116.62 2py8 h GLU 96 Ca 0.10 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2py8 h GLU 96 Cb 0.40 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2py8 h GLU 96 CO 0.02 0.74 -0.04 1.03 -1.18 0.00 0.00 179.01 179.58 2py8 h SER 97 N 0.21 0.13 -0.98 1.04 0.87 -0.35 -2.76 113.55 111.72 2py8 h SER 97 Ca 0.01 -0.45 0.10 0.00 -1.23 0.00 0.00 61.79 60.21 2py8 h SER 97 Cb 1.00 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.85 2py8 h SER 97 CO 0.08 0.55 0.62 0.78 -0.53 0.00 0.00 176.83 178.34 2py8 h ASN 98 N -0.30 0.92 0.89 6.23 4.21 -0.48 -1.82 115.58 125.23 2py8 h ASN 98 Ca 0.01 0.03 -0.16 0.00 1.21 0.00 0.00 56.30 57.39 2py8 h ASN 98 Cb 0.51 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 2py8 h ASN 98 CO 0.01 0.53 -0.79 0.40 -1.29 0.00 0.00 177.43 176.30 2py8 h ILE 99 N 1.01 1.50 -0.22 2.81 2.04 -1.49 -3.14 117.51 120.03 2py8 h ILE 99 Ca 0.46 -2.75 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 2py8 h ILE 99 Cb 0.39 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2py8 h ILE 99 CO -0.22 0.77 -0.22 0.00 0.00 0.00 0.00 178.15 178.48 2py8 h ALA 100 N 1.21 0.33 -0.01 1.87 0.00 -1.05 -3.34 119.26 118.27 2py8 h ALA 100 Ca -0.01 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 2py8 h ALA 100 Cb 1.44 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2py8 h ALA 100 CO 0.10 0.28 -0.98 0.45 0.00 0.00 0.00 179.25 179.10 2py8 h HIS 101 N 0.24 0.86 0.00 0.00 3.86 -1.47 -3.31 115.15 115.33 2py8 h HIS 101 Ca 0.04 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2py8 h HIS 101 Cb 0.78 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2py8 h HIS 101 CO 0.08 1.29 0.00 2.89 0.86 0.00 0.00 177.93 183.05 2py8 n ARG 102 N -3.81 0.89 -3.14 2.45 1.85 -1.18 -4.79 116.66 108.92 2py8 n ARG 102 Ca -0.09 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.48 2py8 n ARG 102 Cb 0.85 -1.29 -0.03 0.00 -1.05 0.00 0.00 32.46 30.95 2py8 n ARG 102 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2py8 s ARG 103 N -2.00 3.64 0.00 2.89 0.52 -1.25 -5.10 118.95 117.66 2py8 s ARG 103 Ca 0.24 0.11 0.22 0.00 -0.52 0.00 0.00 55.73 55.79 2py8 s ARG 103 Cb 0.11 -2.55 1.34 0.00 0.52 0.00 0.00 34.95 34.37 2py8 s ARG 103 CO 0.19 0.10 1.71 1.58 0.02 0.00 0.00 175.30 178.90