#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 0.76 -0.27 -0.39 2.02 -2.05 0.11 112.91 113.09 2py8 h THR 3 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2py8 h THR 3 Cb 0.00 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2py8 h THR 3 CO 0.00 0.06 0.14 0.50 0.37 0.00 0.00 175.52 176.59 2py8 h LYS 4 N 0.31 0.38 -0.55 6.66 3.64 -2.05 -0.77 116.57 124.19 2py8 h LYS 4 Ca 0.26 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2py8 h LYS 4 Cb 0.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2py8 h LYS 4 CO -0.30 0.34 0.12 0.45 -2.27 0.00 0.00 179.45 177.79 2py8 h HIS 5 N 0.32 0.88 -0.26 1.91 3.86 -1.75 -0.42 115.15 119.68 2py8 h HIS 5 Ca 0.09 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2py8 h HIS 5 Cb 0.08 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 2py8 h HIS 5 CO -0.03 0.74 -0.33 0.82 0.86 0.00 0.00 177.93 180.00 2py8 h ILE 6 N 0.82 1.31 -0.21 2.45 2.04 -0.56 -1.72 117.51 121.64 2py8 h ILE 6 Ca 0.18 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.57 2py8 h ILE 6 Cb 0.32 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2py8 h ILE 6 CO 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 178.15 178.51 2py8 h ALA 7 N 0.67 0.05 -0.76 1.87 0.00 -0.78 -0.28 119.26 120.03 2py8 h ALA 7 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2py8 h ALA 7 Cb 0.90 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2py8 h ALA 7 CO 0.08 -0.54 0.49 1.96 0.00 0.00 0.00 179.25 181.24 2py8 h GLN 8 N -0.11 1.00 -0.79 0.00 4.20 -0.99 -0.08 115.11 118.34 2py8 h GLN 8 Ca 0.12 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2py8 h GLN 8 Cb 0.28 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2py8 h GLN 8 CO -0.27 0.67 0.34 0.00 -0.67 0.00 0.00 178.83 178.89 2py8 h ALA 9 N 1.27 1.10 -0.35 3.87 0.00 -1.05 -2.37 119.26 121.73 2py8 h ALA 9 Ca 0.28 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2py8 h ALA 9 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2py8 h ALA 9 CO -0.06 0.65 -0.37 1.15 0.00 0.00 0.00 179.25 180.62 2py8 h THR 10 N 1.15 1.28 -1.01 0.00 2.02 -0.35 -2.62 112.91 113.38 2py8 h THR 10 Ca 0.27 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.91 2py8 h THR 10 Cb 0.18 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2py8 h THR 10 CO -0.03 0.51 0.67 0.58 0.37 0.00 0.00 175.52 177.62 2py8 h VAL 11 N 0.68 1.26 -0.23 3.16 2.07 -0.80 -1.00 116.25 121.38 2py8 h VAL 11 Ca 0.06 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2py8 h VAL 11 Cb 0.94 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2py8 h VAL 11 CO 0.09 0.25 0.06 0.11 0.02 0.00 0.00 177.57 178.10 2py8 h LYS 12 N 1.36 0.36 -0.76 1.57 1.57 -1.16 -0.10 116.57 119.42 2py8 h LYS 12 Ca 0.37 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2py8 h LYS 12 Cb -0.16 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 2py8 h LYS 12 CO -0.08 0.46 0.43 0.28 -0.57 0.00 0.00 179.45 179.98 2py8 h VAL 13 N 0.19 0.96 -0.19 0.50 2.07 -1.36 -0.75 116.25 117.68 2py8 h VAL 13 Ca 0.07 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2py8 h VAL 13 Cb 0.26 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2py8 h VAL 13 CO -0.00 0.14 -0.00 0.25 0.02 0.00 0.00 177.57 177.98 2py8 h LEU 14 N 0.78 0.32 -0.51 2.57 6.46 -0.73 -1.18 115.31 123.02 2py8 h LEU 14 Ca 0.35 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2py8 h LEU 14 Cb 0.24 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2py8 h LEU 14 CO -0.20 0.55 0.22 -0.61 -0.62 0.00 0.00 178.44 177.78 2py8 h GLN 15 N 0.08 0.75 -0.88 1.25 4.15 -0.90 -0.07 115.11 119.48 2py8 h GLN 15 Ca 0.05 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2py8 h GLN 15 Cb 0.39 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2py8 h GLN 15 CO 0.01 0.65 0.55 0.77 -1.93 0.00 0.00 178.83 178.87 2py8 h SER 16 N 0.68 1.05 -0.50 -0.69 0.02 -1.01 0.10 113.55 113.19 2py8 h SER 16 Ca 0.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2py8 h SER 16 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2py8 h SER 16 CO -0.02 0.79 0.23 0.22 -1.14 0.00 0.00 176.83 176.91 2py8 h TYR 17 N 1.21 0.74 -0.57 3.45 3.20 -0.63 -1.72 116.97 122.65 2py8 h TYR 17 Ca 0.32 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2py8 h TYR 17 Cb -0.08 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 2py8 h TYR 17 CO -0.00 0.60 0.30 -0.07 -1.64 0.00 0.00 178.16 177.34 2py8 h LEU 18 N 0.67 0.70 -0.20 2.82 3.38 -0.61 -1.16 115.31 120.90 2py8 h LEU 18 Ca 0.17 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2py8 h LEU 18 Cb 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2py8 h LEU 18 CO -0.02 0.58 0.02 0.74 0.09 0.00 0.00 178.44 179.85 2py8 h THR 19 N 0.79 0.89 -0.77 0.22 2.02 -0.43 0.27 112.91 115.90 2py8 h THR 19 Ca 0.20 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2py8 h THR 19 Cb 0.04 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2py8 h THR 19 CO -0.03 0.02 0.46 0.22 0.37 0.00 0.00 175.52 176.56 2py8 h TYR 20 N 0.10 1.01 -0.86 3.16 5.03 -0.86 -0.11 116.97 124.44 2py8 h TYR 20 Ca 0.09 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 2py8 h TYR 20 Cb 0.10 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.01 2py8 h TYR 20 CO -0.16 0.68 0.46 0.37 -1.32 0.00 0.00 178.16 178.19 2py8 h GLN 21 N 1.05 1.21 -0.65 1.82 5.75 -0.87 -0.68 115.11 122.73 2py8 h GLN 21 Ca 0.27 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 2py8 h GLN 21 Cb -0.03 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 2py8 h GLN 21 CO -0.05 0.89 0.10 0.00 -2.65 0.00 0.00 178.83 177.12 2py8 h ALA 22 N 1.25 0.87 -0.62 3.38 0.00 -0.32 -2.33 119.26 121.48 2py8 h ALA 22 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2py8 h ALA 22 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2py8 h ALA 22 CO -0.05 0.64 0.27 0.28 0.00 0.00 0.00 179.25 180.39 2py8 h VAL 23 N 1.00 1.23 -0.13 0.00 2.07 -0.34 -2.19 116.25 117.89 2py8 h VAL 23 Ca 0.20 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2py8 h VAL 23 Cb 0.45 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2py8 h VAL 23 CO 0.01 0.27 -0.04 -0.07 0.02 0.00 0.00 177.57 177.76 2py8 h LEU 24 N 0.85 -0.15 -0.69 2.57 3.38 -0.97 0.16 115.31 120.47 2py8 h LEU 24 Ca 0.21 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.35 2py8 h LEU 24 Cb 0.17 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 2py8 h LEU 24 CO -0.02 -0.06 0.22 -0.09 0.09 0.00 0.00 178.44 178.58 2py8 h ARG 25 N -0.02 0.35 -0.08 1.13 9.65 -1.22 -1.14 114.38 123.05 2py8 h ARG 25 Ca 0.07 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.78 2py8 h ARG 25 Cb 0.11 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2py8 h ARG 25 CO -0.14 0.23 -0.57 0.82 2.80 0.00 0.00 179.97 183.10 2py8 h ILE 26 N 0.36 1.37 -0.71 1.20 2.04 -0.90 -0.76 117.51 120.11 2py8 h ILE 26 Ca 0.37 -1.91 0.05 0.00 1.00 0.00 0.00 64.86 64.37 2py8 h ILE 26 Cb 0.56 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 2py8 h ILE 26 CO -0.41 0.56 0.42 1.56 0.00 0.00 0.00 178.15 180.29 2py8 h GLN 27 N 0.18 0.78 0.88 2.37 4.20 0.46 -1.27 115.11 122.71 2py8 h GLN 27 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2py8 h GLN 27 Cb 1.06 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.67 2py8 h GLN 27 CO 0.09 0.51 -0.44 0.77 -0.67 0.00 0.00 178.83 179.09 2py8 h SER 28 N 0.80 -1.07 -0.70 1.46 0.02 -0.66 -0.93 113.55 112.47 2py8 h SER 28 Ca 0.30 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.42 2py8 h SER 28 Cb 0.11 0.29 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 2py8 h SER 28 CO -0.15 -0.74 0.27 -0.33 -1.14 0.00 0.00 176.83 174.74 2py8 h GLU 29 N -1.21 0.42 0.00 3.45 5.08 -1.00 0.17 114.58 121.49 2py8 h GLU 29 Ca -0.12 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2py8 h GLU 29 Cb 0.94 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2py8 h GLU 29 CO 0.18 0.28 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.04 2py8 h LEU 30 N 0.43 0.00 0.00 1.33 3.38 -1.22 -1.72 115.31 117.51 2py8 h LEU 30 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2py8 h LEU 30 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2py8 h LEU 30 CO -0.37 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2py8 n GLY 31 N -0.12 -0.45 0.75 0.83 0.00 0.59 -1.93 105.19 104.86 2py8 n GLY 31 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2py8 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2py8 n GLU 32 N -1.29 0.12 0.02 1.61 1.02 -0.98 -4.86 120.64 116.28 2py8 n GLU 32 Ca 0.02 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 2py8 n GLU 32 Cb 0.04 -0.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.82 2py8 n GLU 32 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2py8 h THR 33 N -0.23 0.00 -2.62 2.62 2.02 -1.29 -3.40 112.91 110.01 2py8 h THR 33 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 2py8 h THR 33 Cb 0.23 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 66.24 2py8 h THR 33 CO 0.00 0.00 -0.74 -3.20 0.37 0.00 0.00 175.52 171.95 2py8 n ASN 34 N -2.35 1.88 -0.28 4.18 5.15 -0.81 -4.97 115.26 118.05 2py8 n ASN 34 Ca -0.01 -2.96 0.13 0.00 -0.60 0.00 0.00 54.58 51.14 2py8 n ASN 34 Cb 0.03 -0.67 0.39 0.00 -0.53 0.00 0.00 39.78 38.99 2py8 n ASN 34 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2py8 h PRO 35 N 5.10 0.65 -0.99 1.20 0.11 -1.70 0.88 132.00 137.25 2py8 h PRO 35 Ca 0.18 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.51 2py8 h PRO 35 Cb 0.79 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 31.63 2py8 h PRO 35 CO 0.61 0.43 0.57 -1.35 -0.21 0.00 0.00 178.00 178.05 2py8 h PRO 36 N 0.67 0.51 0.03 1.05 0.11 -1.93 0.14 132.00 132.57 2py8 h PRO 36 Ca 0.47 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.32 2py8 h PRO 36 Cb 0.80 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 2py8 h PRO 36 CO -0.23 0.34 -1.11 1.96 -0.21 0.00 0.00 178.00 178.75 2py8 h GLN 37 N 0.52 0.06 -0.18 1.05 1.08 -1.23 -3.05 115.11 113.37 2py8 h GLN 37 Ca 0.65 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.74 2py8 h GLN 37 Cb 1.28 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 2py8 h GLN 37 CO -0.50 1.02 0.09 0.00 -0.95 0.00 0.00 178.83 178.48 2py8 h ALA 38 N 0.90 0.23 -0.82 3.87 0.00 -0.20 0.34 119.26 123.58 2py8 h ALA 38 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2py8 h ALA 38 Cb 1.83 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2py8 h ALA 38 CO 0.14 -0.22 0.48 0.97 0.00 0.00 0.00 179.25 180.63 2py8 h ILE 39 N 0.16 1.23 -0.30 0.00 -0.00 -0.89 -1.91 117.51 115.80 2py8 h ILE 39 Ca 0.06 -0.53 -0.01 0.00 -0.00 0.00 0.00 64.86 64.38 2py8 h ILE 39 Cb 0.11 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.01 2py8 h ILE 39 CO -0.01 0.25 0.13 -0.25 -0.00 0.00 0.00 178.15 178.27 2py8 h TRP 40 N 1.13 0.44 -0.53 2.19 7.01 -1.37 -1.50 115.95 123.33 2py8 h TRP 40 Ca 0.29 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.29 2py8 h TRP 40 Cb -0.02 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 2py8 h TRP 40 CO -0.00 0.42 0.32 1.25 -2.79 0.00 0.00 178.44 177.63 2py8 h LEU 41 N 0.34 0.51 -0.88 0.65 5.85 -0.77 0.13 115.31 121.14 2py8 h LEU 41 Ca 0.10 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2py8 h LEU 41 Cb 0.15 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2py8 h LEU 41 CO -0.01 0.36 0.58 0.78 -0.34 0.00 0.00 178.44 179.81 2py8 h ASN 42 N 0.63 0.98 -0.34 1.25 4.21 -1.02 0.76 115.58 122.05 2py8 h ASN 42 Ca 0.21 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.60 2py8 h ASN 42 Cb 0.02 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 36.97 2py8 h ASN 42 CO -0.09 0.70 -0.17 1.56 -1.29 0.00 0.00 177.43 178.13 2py8 h GLN 43 N 1.16 0.81 -0.60 0.81 4.20 -0.89 -2.09 115.11 118.50 2py8 h GLN 43 Ca 0.34 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2py8 h GLN 43 Cb -0.07 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2py8 h GLN 43 CO -0.09 0.92 0.13 -0.92 -0.67 0.00 0.00 178.83 178.20 2py8 h TYR 44 N 0.71 1.02 -0.44 2.96 5.03 0.07 -2.35 116.97 123.97 2py8 h TYR 44 Ca 0.11 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 2py8 h TYR 44 Cb 0.68 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2py8 h TYR 44 CO 0.04 0.87 0.13 -0.07 -1.32 0.00 0.00 178.16 177.80 2py8 h LEU 45 N 0.88 0.59 -2.26 2.82 3.38 -0.76 -1.65 115.31 118.31 2py8 h LEU 45 Ca 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2py8 h LEU 45 Cb 0.38 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2py8 h LEU 45 CO 0.01 0.57 -0.04 0.00 0.09 0.00 0.00 178.44 179.07 2py8 h ALA 46 N 1.51 1.49 0.00 1.53 0.00 -0.81 -3.08 119.26 119.89 2py8 h ALA 46 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2py8 h ALA 46 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2py8 h ALA 46 CO -0.01 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2py8 n SER 47 N -3.84 1.36 -3.83 0.00 3.41 -1.06 -4.98 113.62 104.67 2py8 n SER 47 Ca -0.03 -1.63 -0.22 0.00 -0.26 0.00 0.00 58.87 56.73 2py8 n SER 47 Cb 0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.63 0.80 0.33 7.33 3.76 -0.64 -5.10 115.29 121.13 2py8 s HIS 48 Ca 0.00 -0.25 -0.28 0.00 -0.15 0.00 0.00 55.06 54.38 2py8 s HIS 48 Cb 0.00 -0.81 -0.09 0.00 1.11 0.00 0.00 32.58 32.79 2py8 s HIS 48 CO 0.00 -0.31 1.14 0.45 -0.85 0.00 0.00 174.74 175.17 2py8 s SER 49 N 1.59 6.94 -0.08 1.40 0.15 -1.26 -4.58 113.70 117.86 2py8 s SER 49 Ca -0.00 2.32 0.13 0.00 0.70 0.00 0.00 55.95 59.10 2py8 s SER 49 Cb -0.13 -2.62 0.40 0.00 -1.71 0.00 0.00 66.02 61.96 2py8 s SER 49 CO -0.04 -0.38 1.33 0.00 1.20 0.00 0.00 173.24 175.35 2py8 n ILE 50 N 0.69 1.61 -0.02 6.45 3.06 -1.26 -4.50 119.36 125.39 2py8 n ILE 50 Ca 0.01 -1.42 -0.10 0.00 -2.50 0.00 0.00 62.75 58.75 2py8 n ILE 50 Cb 0.45 0.14 0.05 0.00 0.54 0.00 0.00 39.64 40.83 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 1.87 0.62 -4.10 9.51 1.08 -1.94 -3.32 115.11 118.83 2py8 h GLN 51 Ca 0.00 -0.37 -0.75 0.00 -1.45 0.00 0.00 58.65 56.09 2py8 h GLN 51 Cb 1.06 0.03 -0.27 0.00 -0.05 0.00 0.00 27.48 28.25 2py8 h GLN 51 CO 0.10 0.98 -0.25 1.21 -0.95 0.00 0.00 178.83 179.92 2py8 s ASN 52 N -6.90 6.03 0.31 1.46 3.84 -1.26 -4.87 114.94 113.55 2py8 s ASN 52 Ca -0.08 -2.04 0.07 0.00 0.21 0.00 0.00 52.86 51.03 2py8 s ASN 52 Cb 0.11 -2.11 0.79 0.00 -0.55 0.00 0.00 41.25 39.49 2py8 s ASN 52 CO 0.84 -0.72 1.77 1.23 -2.79 0.00 0.00 177.10 177.44 2py8 h GLY 53 N 8.44 1.74 0.69 1.21 0.00 -1.84 -0.76 103.07 112.55 2py8 h GLY 53 Ca -0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2py8 h GLY 53 CO 0.91 -0.08 -0.25 0.83 0.00 0.00 0.00 176.54 177.95 2py8 h GLU 54 N 0.71 0.33 -0.91 4.80 4.39 -1.93 -0.18 114.58 121.79 2py8 h GLU 54 Ca 0.58 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2py8 h GLU 54 Cb 0.97 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2py8 h GLU 54 CO -0.38 0.85 0.54 1.15 -1.16 0.00 0.00 179.01 180.01 2py8 h THR 55 N -0.13 1.25 -0.18 1.13 2.02 -1.91 0.62 112.91 115.72 2py8 h THR 55 Ca -0.00 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2py8 h THR 55 Cb 0.86 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2py8 h THR 55 CO 0.05 0.27 0.11 0.15 0.37 0.00 0.00 175.52 176.47 2py8 h PHE 56 N 1.26 0.24 -0.55 3.16 3.04 -0.96 -1.98 116.94 121.15 2py8 h PHE 56 Ca 0.33 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 2py8 h PHE 56 Cb -0.04 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 2py8 h PHE 56 CO 0.00 0.20 0.01 -0.07 -2.02 0.00 0.00 178.31 176.44 2py8 h LEU 57 N 0.20 0.93 -0.56 0.59 3.38 -0.79 -1.50 115.31 117.57 2py8 h LEU 57 Ca 0.06 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2py8 h LEU 57 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2py8 h LEU 57 CO -0.01 1.00 0.35 0.74 0.09 0.00 0.00 178.44 180.61 2py8 h THR 58 N 0.83 1.15 -0.08 0.22 2.02 -0.72 0.88 112.91 117.22 2py8 h THR 58 Ca 0.16 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 2py8 h THR 58 Cb 0.52 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2py8 h THR 58 CO 0.03 0.15 -0.73 -0.33 0.37 0.00 0.00 175.52 175.01 2py8 h GLU 59 N 0.75 0.41 -0.59 6.66 5.08 -1.33 -3.17 114.58 122.39 2py8 h GLU 59 Ca 0.20 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2py8 h GLU 59 Cb -0.05 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2py8 h GLU 59 CO -0.04 0.98 0.07 1.25 -1.00 0.00 0.00 179.01 180.26 2py8 h LEU 60 N 0.28 0.94 -1.88 1.33 6.46 -0.82 -2.94 115.31 118.68 2py8 h LEU 60 Ca -0.03 -0.22 0.13 0.00 -0.12 0.00 0.00 57.88 57.64 2py8 h LEU 60 Cb 1.31 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 2py8 h LEU 60 CO 0.13 0.96 0.38 0.25 -0.62 0.00 0.00 178.44 179.53 2py8 h LEU 61 N 0.91 0.12 -0.12 2.25 5.85 -0.81 0.62 115.31 124.13 2py8 h LEU 61 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2py8 h LEU 61 Cb 0.44 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2py8 h LEU 61 CO 0.02 0.06 0.00 0.47 -0.34 0.00 0.00 178.44 178.65 2py8 n ASP 62 N -4.42 0.40 -0.05 1.25 8.00 -1.11 -3.73 116.55 116.89 2py8 n ASP 62 Ca 0.10 0.56 -0.07 0.00 0.71 0.00 0.00 54.79 56.08 2py8 n ASP 62 Cb 0.53 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 2py8 n ASP 62 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2py8 n GLU 63 N -1.90 0.38 -3.08 -1.24 4.07 0.17 -4.91 120.64 114.12 2py8 n GLU 63 Ca 0.05 0.06 -0.11 0.00 -0.06 0.00 0.00 57.16 57.10 2py8 n GLU 63 Cb 0.33 -1.21 -0.03 0.00 -0.06 0.00 0.00 31.44 30.46 2py8 n GLU 63 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2py8 s ASN 64 N -4.97 -0.36 0.31 4.31 3.84 0.13 -5.02 114.94 113.19 2py8 s ASN 64 Ca -0.14 -1.84 0.01 0.00 0.21 0.00 0.00 52.86 51.10 2py8 s ASN 64 Cb 0.04 1.16 0.54 0.00 -0.55 0.00 0.00 41.25 42.43 2py8 s ASN 64 CO 0.25 -0.13 1.94 0.07 -2.79 0.00 0.00 177.10 176.43 2py8 h LYS 65 N 5.85 0.98 -0.43 0.43 2.10 -1.74 -2.11 116.57 121.66 2py8 h LYS 65 Ca 0.10 -0.06 0.05 0.00 -2.00 0.00 0.00 60.65 58.74 2py8 h LYS 65 Cb 1.07 -0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.13 2py8 h LYS 65 CO 0.14 0.65 0.16 0.93 -2.00 0.00 0.00 179.45 179.33 2py8 h GLU 66 N 1.01 0.33 -0.33 0.07 4.39 -1.94 -1.90 114.58 116.21 2py8 h GLU 66 Ca 0.35 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.07 2py8 h GLU 66 Cb 0.11 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2py8 h GLU 66 CO -0.12 0.22 0.10 -0.07 -1.16 0.00 0.00 179.01 177.98 2py8 h LEU 67 N 0.34 0.08 -0.58 1.33 3.38 -1.78 -1.65 115.31 116.43 2py8 h LEU 67 Ca 0.20 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2py8 h LEU 67 Cb 0.17 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2py8 h LEU 67 CO -0.19 0.08 0.32 0.58 0.09 0.00 0.00 178.44 179.33 2py8 h VAL 68 N 0.23 1.01 -0.64 1.22 2.07 -1.30 0.24 116.25 119.08 2py8 h VAL 68 Ca 0.15 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2py8 h VAL 68 Cb 0.14 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2py8 h VAL 68 CO -0.17 0.11 0.27 -0.07 0.02 0.00 0.00 177.57 177.73 2py8 h LEU 69 N 0.63 0.88 -0.80 2.57 3.38 -1.05 0.22 115.31 121.13 2py8 h LEU 69 Ca 0.24 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2py8 h LEU 69 Cb 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2py8 h LEU 69 CO -0.14 0.80 0.34 -0.09 0.09 0.00 0.00 178.44 179.44 2py8 h ARG 70 N 0.90 1.18 -0.37 1.13 1.12 -0.59 -1.30 114.38 116.45 2py8 h ARG 70 Ca 0.22 -0.20 -0.04 0.00 -1.11 0.00 0.00 59.98 58.85 2py8 h ARG 70 Cb 0.19 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 2py8 h ARG 70 CO -0.02 0.94 0.08 0.82 -3.11 0.00 0.00 179.97 178.68 2py8 h ILE 71 N 1.15 1.23 -0.96 1.20 2.04 0.08 -1.36 117.51 120.88 2py8 h ILE 71 Ca 0.27 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2py8 h ILE 71 Cb 0.18 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2py8 h ILE 71 CO -0.03 0.27 0.64 -0.07 0.00 0.00 0.00 178.15 178.96 2py8 h LEU 72 N 0.45 1.07 -0.16 1.44 3.38 -0.33 -0.18 115.31 120.98 2py8 h LEU 72 Ca 0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2py8 h LEU 72 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2py8 h LEU 72 CO 0.00 0.76 -0.37 0.00 0.09 0.00 0.00 178.44 178.91 2py8 h ALA 73 N 1.42 0.26 -0.21 1.53 0.00 -0.97 -2.50 119.26 118.78 2py8 h ALA 73 Ca 0.37 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2py8 h ALA 73 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2py8 h ALA 73 CO -0.10 0.34 -0.35 0.28 0.00 0.00 0.00 179.25 179.42 2py8 h VAL 74 N 0.18 1.29 -0.33 0.00 2.07 -1.09 -2.51 116.25 115.86 2py8 h VAL 74 Ca -0.00 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 2py8 h VAL 74 Cb 0.98 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2py8 h VAL 74 CO 0.08 0.45 -0.07 -0.09 0.02 0.00 0.00 177.57 177.97 2py8 h ARG 75 N 0.38 0.54 -0.63 1.57 2.43 -1.00 -0.83 114.38 116.85 2py8 h ARG 75 Ca 0.04 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 2py8 h ARG 75 Cb 0.80 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2py8 h ARG 75 CO 0.06 0.62 0.22 0.93 -1.51 0.00 0.00 179.97 180.29 2py8 h GLU 76 N 0.51 0.96 -0.53 0.20 4.39 -1.17 -0.06 114.58 118.87 2py8 h GLU 76 Ca 0.10 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 2py8 h GLU 76 Cb 0.43 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2py8 h GLU 76 CO 0.02 0.83 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.20 2py8 h ASP 77 N 0.89 0.96 0.12 1.42 3.32 -1.01 -1.84 116.42 120.28 2py8 h ASP 77 Ca 0.21 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2py8 h ASP 77 Cb 0.25 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2py8 h ASP 77 CO -0.01 1.07 -0.06 0.40 -1.72 0.00 0.00 179.24 178.92 2py8 h ILE 78 N 0.84 1.01 -0.37 0.35 2.04 -1.01 -1.34 117.51 119.04 2py8 h ILE 78 Ca 0.14 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2py8 h ILE 78 Cb 0.61 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.96 2py8 h ILE 78 CO 0.04 0.13 -0.25 0.00 0.00 0.00 0.00 178.15 178.07 2py8 h ALA 79 N 0.42 -0.05 -0.61 1.87 0.00 -1.00 -1.11 119.26 118.79 2py8 h ALA 79 Ca -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2py8 h ALA 79 Cb 0.34 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2py8 h ALA 79 CO 0.03 -0.64 0.05 0.93 0.00 0.00 0.00 179.25 179.61 2py8 h GLU 80 N -0.20 1.03 0.00 0.00 4.39 -1.28 0.31 114.58 118.83 2py8 h GLU 80 Ca 0.18 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2py8 h GLU 80 Cb 0.48 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2py8 h GLU 80 CO -0.48 0.98 0.00 0.66 -1.16 0.00 0.00 179.01 179.00 2py8 h SER 81 N 0.95 0.00 0.00 1.42 4.64 -0.09 -3.38 113.55 117.10 2py8 h SER 81 Ca 0.18 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.39 2py8 h SER 81 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2py8 h SER 81 CO 0.02 0.00 -1.39 0.52 -0.87 0.00 0.00 176.83 175.11 2py8 n VAL 82 N -2.94 0.39 -0.25 0.95 0.31 -0.53 -4.87 118.33 111.39 2py8 n VAL 82 Ca -0.01 -0.14 0.06 0.00 -0.01 0.00 0.00 64.34 64.25 2py8 n VAL 82 Cb 0.20 -0.94 0.19 0.00 -0.91 0.00 0.00 33.84 32.38 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 -0.06 -0.07 -0.32 7.52 3.38 -0.58 -0.14 115.31 125.03 2py8 h LEU 83 Ca -0.16 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2py8 h LEU 83 Cb 1.22 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2py8 h LEU 83 CO -0.04 -0.08 0.00 0.47 0.09 0.00 0.00 178.44 178.87 2py8 n ASP 84 N -5.21 0.37 0.04 -0.43 8.00 -1.26 -2.29 116.55 115.77 2py8 n ASP 84 Ca 0.15 0.58 0.09 0.00 0.71 0.00 0.00 54.79 56.32 2py8 n ASP 84 Cb 0.48 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 2py8 n ASP 84 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2py8 n PHE 85 N -1.90 0.56 -0.25 1.24 3.01 -0.07 -4.56 117.46 115.48 2py8 n PHE 85 Ca 0.03 0.17 -0.06 0.00 1.01 0.00 0.00 57.45 58.60 2py8 n PHE 85 Cb 0.23 -0.81 0.05 0.00 -0.01 0.00 0.00 39.48 38.94 2py8 n PHE 85 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2py8 h LEU 86 N 0.00 0.89 0.24 4.37 3.38 -1.44 -0.59 115.31 122.16 2py8 h LEU 86 Ca -0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2py8 h LEU 86 Cb 1.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2py8 h LEU 86 CO 0.01 0.74 -0.29 -0.65 0.09 0.00 0.00 178.44 178.33 2py8 h PRO 87 N 0.97 -0.56 0.04 1.13 0.11 -1.80 -0.74 132.00 131.15 2py8 h PRO 87 Ca 0.25 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.41 2py8 h PRO 87 Cb 0.06 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2py8 h PRO 87 CO -0.04 -0.37 -0.12 0.78 -0.21 0.00 0.00 178.00 178.04 2py8 h GLY 88 N -0.58 -0.19 1.15 -0.55 0.00 -1.83 -0.59 103.07 100.49 2py8 h GLY 88 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2py8 h GLY 88 CO -0.09 -0.12 0.48 -0.33 0.00 0.00 0.00 176.54 176.47 2py8 h MET 89 N -0.23 1.12 -0.46 4.80 2.86 -1.08 -0.85 114.93 121.08 2py8 h MET 89 Ca 0.03 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2py8 h MET 89 Cb 0.26 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2py8 h MET 89 CO -0.09 0.80 -0.22 1.15 1.06 0.00 0.00 176.91 179.61 2py8 h THR 90 N 1.13 1.27 -0.54 2.22 2.02 -0.99 -1.16 112.91 116.86 2py8 h THR 90 Ca 0.29 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 66.10 2py8 h THR 90 Cb -0.02 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2py8 h THR 90 CO -0.05 0.48 0.35 0.03 0.37 0.00 0.00 175.52 176.69 2py8 h ARG 91 N 0.82 0.69 -0.67 6.66 3.08 -0.25 0.56 114.38 125.27 2py8 h ARG 91 Ca 0.10 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2py8 h ARG 91 Cb 0.80 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2py8 h ARG 91 CO 0.07 0.46 0.42 -0.91 -1.07 0.00 0.00 179.97 178.94 2py8 h ASN 92 N 0.71 0.70 -0.47 7.04 2.35 -1.05 -0.07 115.58 124.79 2py8 h ASN 92 Ca 0.20 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 2py8 h ASN 92 Cb -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2py8 h ASN 92 CO -0.05 0.49 -0.21 -1.28 -1.65 0.00 0.00 177.43 174.73 2py8 h SER 93 N 0.83 1.00 -0.55 5.81 0.87 -0.82 -2.05 113.55 118.64 2py8 h SER 93 Ca 0.26 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2py8 h SER 93 Cb -0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2py8 h SER 93 CO -0.10 1.17 0.23 -0.07 -0.53 0.00 0.00 176.83 177.53 2py8 h LEU 94 N 0.85 0.75 -0.51 2.23 3.38 -0.57 0.80 115.31 122.24 2py8 h LEU 94 Ca 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2py8 h LEU 94 Cb 0.78 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2py8 h LEU 94 CO 0.07 0.71 0.23 0.00 0.09 0.00 0.00 178.44 179.54 2py8 h ALA 95 N 1.08 0.66 -0.57 1.53 0.00 -0.84 -0.64 119.26 120.47 2py8 h ALA 95 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2py8 h ALA 95 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2py8 h ALA 95 CO -0.02 0.24 0.01 1.49 0.00 0.00 0.00 179.25 180.97 2py8 h GLU 96 N 0.69 0.99 0.17 0.00 4.57 -1.19 -1.98 114.58 117.82 2py8 h GLU 96 Ca 0.18 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2py8 h GLU 96 Cb 0.14 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2py8 h GLU 96 CO -0.02 0.96 -0.15 1.03 -1.18 0.00 0.00 179.01 179.66 2py8 h SER 97 N 0.91 -0.38 -0.70 1.04 0.87 -0.33 -1.83 113.55 113.13 2py8 h SER 97 Ca 0.17 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2py8 h SER 97 Cb 0.51 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.53 2py8 h SER 97 CO 0.03 -0.23 0.35 0.78 -0.53 0.00 0.00 176.83 177.23 2py8 h ASN 98 N -0.33 0.46 -0.59 6.23 2.35 -0.86 -0.85 115.58 121.98 2py8 h ASN 98 Ca -0.00 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2py8 h ASN 98 Cb 0.31 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2py8 h ASN 98 CO -0.02 0.27 0.13 0.40 -1.65 0.00 0.00 177.43 176.55 2py8 h ILE 99 N 0.60 1.25 0.08 2.81 2.04 -1.18 -1.48 117.51 121.63 2py8 h ILE 99 Ca 0.34 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2py8 h ILE 99 Cb 0.35 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2py8 h ILE 99 CO -0.26 0.35 -0.04 0.00 0.00 0.00 0.00 178.15 178.20 2py8 h ALA 100 N 1.20 -0.11 -0.19 1.87 0.00 -0.44 -0.98 119.26 120.60 2py8 h ALA 100 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2py8 h ALA 100 Cb 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2py8 h ALA 100 CO 0.00 -0.41 -0.20 0.45 0.00 0.00 0.00 179.25 179.09 2py8 h HIS 101 N -0.42 0.36 -0.43 0.00 3.86 -1.13 -1.19 115.15 116.22 2py8 h HIS 101 Ca -0.01 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 2py8 h HIS 101 Cb 0.35 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2py8 h HIS 101 CO 0.03 0.52 -0.09 -0.09 0.86 0.00 0.00 177.93 179.16 2py8 h ARG 102 N 0.31 0.82 -0.41 2.45 2.43 -1.16 -0.49 114.38 118.33 2py8 h ARG 102 Ca 0.05 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 2py8 h ARG 102 Cb 0.54 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2py8 h ARG 102 CO 0.04 0.93 0.18 -0.09 -1.51 0.00 0.00 179.97 179.52 2py8 h ARG 103 N 0.64 0.61 -0.74 0.20 2.43 -0.79 -1.59 114.38 115.15 2py8 h ARG 103 Ca 0.11 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2py8 h ARG 103 Cb 0.62 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2py8 h ARG 103 CO 0.04 0.55 0.28 0.45 -1.51 0.00 0.00 179.97 179.77 2py8 h HIS 104 N 0.53 1.13 -0.57 2.20 3.86 -1.04 -1.12 115.15 120.13 2py8 h HIS 104 Ca 0.14 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2py8 h HIS 104 Cb 0.15 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 2py8 h HIS 104 CO -0.01 0.87 0.18 1.25 0.86 0.00 0.00 177.93 181.08 2py8 h LEU 105 N 1.07 0.83 -0.56 2.43 6.46 -0.89 -2.02 115.31 122.63 2py8 h LEU 105 Ca 0.24 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 2py8 h LEU 105 Cb 0.23 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2py8 h LEU 105 CO -0.02 0.81 0.01 -0.07 -0.62 0.00 0.00 178.44 178.56 2py8 h LEU 106 N 0.80 0.96 -0.65 2.25 3.38 -0.97 -2.10 115.31 118.98 2py8 h LEU 106 Ca 0.18 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2py8 h LEU 106 Cb 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2py8 h LEU 106 CO -0.01 1.02 0.38 -0.33 0.09 0.00 0.00 178.44 179.60 2py8 h GLU 107 N 0.86 0.72 0.49 1.13 5.08 -0.97 -0.01 114.58 121.89 2py8 h GLU 107 Ca 0.16 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2py8 h GLU 107 Cb 0.53 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2py8 h GLU 107 CO 0.03 0.48 -0.27 0.00 -1.00 0.00 0.00 179.01 178.24 2py8 h ARG 108 N 0.74 -0.68 -0.52 2.33 -0.00 -1.18 -1.15 114.38 113.91 2py8 h ARG 108 Ca 0.27 0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.78 2py8 h ARG 108 Cb 0.08 0.16 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 2py8 h ARG 108 CO -0.13 -0.46 0.27 -0.07 0.00 0.00 0.00 179.97 179.59 2py8 h LEU 109 N -0.71 0.64 -0.01 3.04 3.38 -1.24 0.54 115.31 120.96 2py8 h LEU 109 Ca -0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2py8 h LEU 109 Cb 0.57 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2py8 h LEU 109 CO 0.08 0.53 0.00 0.74 0.09 0.00 0.00 178.44 179.88 2py8 h THR 110 N 0.73 1.23 -0.40 0.22 2.02 -0.78 0.22 112.91 116.16 2py8 h THR 110 Ca 0.19 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.68 2py8 h THR 110 Cb 0.04 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2py8 h THR 110 CO -0.03 0.18 0.26 0.03 0.37 0.00 0.00 175.52 176.33 2py8 h ARG 111 N -0.27 0.51 0.00 6.66 3.08 -1.03 0.21 114.38 123.54 2py8 h ARG 111 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2py8 h ARG 111 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2py8 h ARG 111 CO 0.00 0.34 0.00 -2.37 -1.07 0.00 0.00 179.97 176.87 2py8 n THR 112 N -4.82 0.84 -0.04 2.04 5.66 0.17 -2.44 114.28 115.69 2py8 n THR 112 Ca 0.01 0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 2py8 n THR 112 Cb 0.03 -0.95 -0.13 0.00 -1.55 0.00 0.00 70.33 67.73 2py8 n THR 112 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2py8 n VAL 113 N -1.64 0.54 -0.03 1.08 0.31 0.76 -4.75 118.33 114.61 2py8 n VAL 113 Ca 0.04 -0.53 -0.15 0.00 -0.01 0.00 0.00 64.34 63.69 2py8 n VAL 113 Cb 0.21 -0.24 -0.10 0.00 -0.91 0.00 0.00 33.84 32.80 2py8 n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2py8 h ALA 114 N 1.16 0.09 0.00 3.52 0.00 -0.24 -3.50 119.26 120.29 2py8 h ALA 114 Ca -0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2py8 h ALA 114 Cb 1.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2py8 h ALA 114 CO 0.01 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.77