#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 0.68 -0.57 5.09 2.02 -2.06 -0.97 112.91 117.10 2py8 h THR 3 Ca 0.00 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2py8 h THR 3 Cb 0.00 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2py8 h THR 3 CO 0.00 0.10 0.12 0.50 0.37 0.00 0.00 175.52 176.61 2py8 h LYS 4 N 0.53 0.93 -0.48 6.66 3.64 -2.05 -1.67 116.57 124.14 2py8 h LYS 4 Ca 0.45 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2py8 h LYS 4 Cb 0.68 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2py8 h LYS 4 CO -0.39 0.87 0.06 0.45 -2.27 0.00 0.00 179.45 178.17 2py8 h HIS 5 N 0.83 0.78 -0.29 1.91 3.86 -1.64 0.16 115.15 120.76 2py8 h HIS 5 Ca 0.18 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2py8 h HIS 5 Cb 0.37 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2py8 h HIS 5 CO 0.03 0.69 -0.21 0.82 0.86 0.00 0.00 177.93 180.12 2py8 h ILE 6 N 0.71 1.30 -0.32 2.45 2.04 -1.10 -1.19 117.51 121.41 2py8 h ILE 6 Ca 0.15 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.71 2py8 h ILE 6 Cb 0.35 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2py8 h ILE 6 CO 0.01 0.43 0.10 0.00 0.00 0.00 0.00 178.15 178.69 2py8 h ALA 7 N 0.73 0.36 -0.57 1.87 0.00 -1.02 0.80 119.26 121.43 2py8 h ALA 7 Ca 0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2py8 h ALA 7 Cb 0.75 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2py8 h ALA 7 CO 0.06 -0.30 0.37 1.96 0.00 0.00 0.00 179.25 181.34 2py8 h GLN 8 N 0.24 0.74 -0.49 0.00 4.20 -0.83 0.26 115.11 119.22 2py8 h GLN 8 Ca 0.14 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 2py8 h GLN 8 Cb 0.12 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2py8 h GLN 8 CO -0.15 0.49 -0.19 0.00 -0.67 0.00 0.00 178.83 178.31 2py8 h ALA 9 N 1.21 0.68 -0.77 3.87 0.00 -0.98 -2.78 119.26 120.49 2py8 h ALA 9 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2py8 h ALA 9 Cb -0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2py8 h ALA 9 CO -0.05 0.65 0.37 1.15 0.00 0.00 0.00 179.25 181.37 2py8 h THR 10 N 0.85 1.24 -0.19 0.00 2.02 -0.42 -2.42 112.91 113.99 2py8 h THR 10 Ca 0.12 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.64 2py8 h THR 10 Cb 0.77 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2py8 h THR 10 CO 0.06 0.29 -0.00 0.58 0.37 0.00 0.00 175.52 176.82 2py8 h VAL 11 N 1.10 0.87 -0.97 3.16 2.07 -0.75 -1.11 116.25 120.60 2py8 h VAL 11 Ca 0.27 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.84 2py8 h VAL 11 Cb 0.12 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 2py8 h VAL 11 CO -0.03 0.01 0.62 0.11 0.02 0.00 0.00 177.57 178.30 2py8 h LYS 12 N 0.06 1.07 -0.28 1.57 1.57 -1.21 0.76 116.57 120.12 2py8 h LYS 12 Ca 0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2py8 h LYS 12 Cb 0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2py8 h LYS 12 CO -0.15 0.71 0.10 0.28 -0.57 0.00 0.00 179.45 179.82 2py8 h VAL 13 N 1.10 1.19 -0.20 0.50 2.07 -1.10 -1.81 116.25 118.00 2py8 h VAL 13 Ca 0.43 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2py8 h VAL 13 Cb 0.22 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2py8 h VAL 13 CO -0.19 0.20 0.11 -0.07 0.02 0.00 0.00 177.57 177.64 2py8 h LEU 14 N 0.29 0.25 -0.28 2.57 3.38 -0.37 -0.85 115.31 120.29 2py8 h LEU 14 Ca 0.09 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2py8 h LEU 14 Cb 0.21 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2py8 h LEU 14 CO -0.01 0.25 0.02 -0.61 0.09 0.00 0.00 178.44 178.19 2py8 h GLN 15 N 0.23 0.11 -0.74 1.13 4.15 -0.83 0.14 115.11 119.30 2py8 h GLN 15 Ca 0.07 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2py8 h GLN 15 Cb 0.06 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2py8 h GLN 15 CO -0.01 0.07 0.34 0.77 -1.93 0.00 0.00 178.83 178.07 2py8 h SER 16 N 0.11 0.98 -0.59 -0.69 0.02 -1.18 -0.57 113.55 111.63 2py8 h SER 16 Ca 0.13 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2py8 h SER 16 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2py8 h SER 16 CO -0.21 0.85 0.36 0.22 -1.14 0.00 0.00 176.83 176.92 2py8 h TYR 17 N 1.04 0.77 -0.16 3.45 3.20 -0.49 -1.39 116.97 123.40 2py8 h TYR 17 Ca 0.25 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2py8 h TYR 17 Cb 0.14 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2py8 h TYR 17 CO 0.01 0.52 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.86 2py8 h LEU 18 N 0.80 0.23 -0.40 2.82 3.38 -0.28 -1.30 115.31 120.55 2py8 h LEU 18 Ca 0.21 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2py8 h LEU 18 Cb -0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2py8 h LEU 18 CO -0.04 0.37 -0.67 0.00 0.09 0.00 0.00 178.44 178.19 2py8 h THR 19 N 0.23 1.34 -0.16 0.22 1.03 -0.56 -1.63 112.91 113.38 2py8 h THR 19 Ca 0.05 -1.98 0.04 0.00 -0.01 0.00 0.00 66.41 64.51 2py8 h THR 19 Cb 0.35 1.95 -0.04 0.00 -1.07 0.00 0.00 68.15 69.35 2py8 h THR 19 CO 0.02 0.61 -0.07 0.22 -0.01 0.00 0.00 175.52 176.28 2py8 h TYR 20 N 0.39 -0.17 -1.00 0.00 5.03 -0.77 0.18 116.97 120.63 2py8 h TYR 20 Ca -0.02 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.39 2py8 h TYR 20 Cb 1.24 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.55 2py8 h TYR 20 CO 0.05 -0.12 0.64 1.96 -1.32 0.00 0.00 178.16 179.37 2py8 h GLN 21 N -0.05 1.08 -0.27 1.82 1.08 -1.11 -1.11 115.11 116.55 2py8 h GLN 21 Ca 0.09 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2py8 h GLN 21 Cb 0.18 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 2py8 h GLN 21 CO -0.20 0.72 -0.02 0.00 -0.95 0.00 0.00 178.83 178.38 2py8 h ALA 22 N 1.47 0.36 -0.65 3.87 0.00 -0.89 -1.50 119.26 121.93 2py8 h ALA 22 Ca 0.45 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2py8 h ALA 22 Cb 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2py8 h ALA 22 CO -0.20 0.12 0.36 0.28 0.00 0.00 0.00 179.25 179.81 2py8 h VAL 23 N 0.25 0.97 -0.53 0.00 2.07 -0.15 -0.92 116.25 117.94 2py8 h VAL 23 Ca 0.07 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2py8 h VAL 23 Cb 0.46 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2py8 h VAL 23 CO 0.02 0.12 0.22 -0.07 0.02 0.00 0.00 177.57 177.88 2py8 h LEU 24 N 0.67 0.73 -0.49 2.57 3.38 -1.01 -0.34 115.31 120.82 2py8 h LEU 24 Ca 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2py8 h LEU 24 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2py8 h LEU 24 CO -0.18 0.70 0.25 -0.09 0.09 0.00 0.00 178.44 179.21 2py8 h ARG 25 N 0.72 0.69 -0.56 1.13 2.43 -0.84 -1.56 114.38 116.39 2py8 h ARG 25 Ca 0.18 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2py8 h ARG 25 Cb 0.19 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2py8 h ARG 25 CO -0.02 0.57 0.34 0.82 -1.51 0.00 0.00 179.97 180.18 2py8 h ILE 26 N 0.64 1.08 -0.09 1.20 2.04 -0.94 -1.67 117.51 119.78 2py8 h ILE 26 Ca 0.17 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2py8 h ILE 26 Cb 0.09 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2py8 h ILE 26 CO -0.02 0.13 -0.34 0.06 0.00 0.00 0.00 178.15 177.97 2py8 h GLN 27 N 0.69 0.17 -0.35 2.37 -0.00 -0.62 -1.01 115.11 116.35 2py8 h GLN 27 Ca 0.22 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.65 2py8 h GLN 27 Cb -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 2py8 h GLN 27 CO -0.09 0.50 -0.37 0.66 -0.00 0.00 0.00 178.83 179.54 2py8 h SER 28 N 0.15 0.93 -0.67 0.06 4.64 -0.97 -2.38 113.55 115.31 2py8 h SER 28 Ca 0.02 -0.47 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 2py8 h SER 28 Cb 0.68 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 2py8 h SER 28 CO 0.05 1.21 0.26 -0.33 -0.87 0.00 0.00 176.83 177.16 2py8 h GLU 29 N 0.67 1.04 0.00 4.77 5.08 -0.73 -1.19 114.58 124.21 2py8 h GLU 29 Ca 0.05 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2py8 h GLU 29 Cb 0.96 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2py8 h GLU 29 CO 0.09 0.85 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.73 2py8 h LEU 30 N 1.01 0.00 -0.96 1.33 3.38 -1.11 -2.84 115.31 116.11 2py8 h LEU 30 Ca 0.23 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.46 2py8 h LEU 30 Cb 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.83 2py8 h LEU 30 CO -0.02 0.15 0.50 1.23 0.09 0.00 0.00 178.44 180.39 2py8 h GLY 31 N 0.85 1.80 0.06 0.83 0.00 -0.67 0.27 103.07 106.21 2py8 h GLY 31 Ca -0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 47.33 46.74 2py8 h GLY 31 CO 0.02 -0.33 -2.35 -1.84 0.00 0.00 0.00 176.54 172.04 2py8 n GLU 32 N -5.01 0.68 0.08 4.80 0.28 -1.18 -4.30 120.64 116.00 2py8 n GLU 32 Ca 0.26 0.02 -0.17 0.00 -0.16 0.00 0.00 57.16 57.11 2py8 n GLU 32 Cb 0.78 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 32.02 2py8 n GLU 32 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2py8 h THR 33 N 0.00 1.37 -0.29 3.84 2.02 -1.23 -3.42 112.91 115.20 2py8 h THR 33 Ca -0.54 -2.56 -0.22 0.00 0.77 0.00 0.00 66.41 63.87 2py8 h THR 33 Cb 2.22 2.62 -0.15 0.00 -1.74 0.00 0.00 68.15 71.09 2py8 h THR 33 CO 0.03 0.77 -0.51 -3.20 0.37 0.00 0.00 175.52 172.98 2py8 n ASN 34 N -3.73 -2.94 -0.27 4.18 4.05 0.91 -5.04 115.26 112.42 2py8 n ASN 34 Ca -0.10 -3.20 0.21 0.00 0.45 0.00 0.00 54.58 51.94 2py8 n ASN 34 Cb 0.93 1.74 0.51 0.00 1.23 0.00 0.00 39.78 44.20 2py8 n ASN 34 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2py8 h PRO 35 N 4.24 0.39 -0.91 1.20 0.11 -1.71 0.46 132.00 135.77 2py8 h PRO 35 Ca -0.09 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.01 2py8 h PRO 35 Cb 1.04 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 2py8 h PRO 35 CO 0.26 0.26 0.60 -1.35 -0.21 0.00 0.00 178.00 177.55 2py8 h PRO 36 N 0.40 1.15 0.00 1.05 0.11 -1.94 -2.04 132.00 130.73 2py8 h PRO 36 Ca 0.51 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 2py8 h PRO 36 Cb 1.30 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2py8 h PRO 36 CO -0.21 0.76 -0.58 0.37 -0.21 0.00 0.00 178.00 178.14 2py8 h GLN 37 N 1.19 0.00 -0.47 1.05 5.75 -0.46 -1.89 115.11 120.28 2py8 h GLN 37 Ca 0.35 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.75 2py8 h GLN 37 Cb -0.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2py8 h GLN 37 CO -0.10 0.58 -0.07 0.00 -2.65 0.00 0.00 178.83 176.59 2py8 h ALA 38 N 1.42 0.65 -0.30 3.38 0.00 -1.10 -1.09 119.26 122.21 2py8 h ALA 38 Ca -0.01 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2py8 h ALA 38 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2py8 h ALA 38 CO 0.08 0.52 -0.46 -0.84 0.00 0.00 0.00 179.25 178.54 2py8 h ILE 39 N 0.73 1.29 -0.54 0.00 3.07 -1.28 -2.53 117.51 118.25 2py8 h ILE 39 Ca 0.12 -1.65 0.05 0.00 1.55 0.00 0.00 64.86 64.94 2py8 h ILE 39 Cb 0.61 1.54 -0.05 0.00 -0.27 0.00 0.00 36.82 38.66 2py8 h ILE 39 CO 0.04 0.53 0.28 -0.25 -1.05 0.00 0.00 178.15 177.70 2py8 h TRP 40 N 0.62 0.51 -0.30 0.16 7.01 -1.21 -1.13 115.95 121.60 2py8 h TRP 40 Ca 0.04 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.99 2py8 h TRP 40 Cb 1.03 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 2py8 h TRP 40 CO 0.06 0.24 -0.10 1.25 -2.79 0.00 0.00 178.44 177.10 2py8 h LEU 41 N 0.53 0.61 -0.35 0.65 6.46 -1.17 -0.61 115.31 121.43 2py8 h LEU 41 Ca 0.24 -0.38 0.07 0.00 -0.12 0.00 0.00 57.88 57.69 2py8 h LEU 41 Cb 0.16 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2py8 h LEU 41 CO -0.17 0.85 -0.09 -1.13 -0.62 0.00 0.00 178.44 177.28 2py8 h ASN 42 N 0.36 -0.33 0.14 1.25 -0.73 -1.27 0.21 115.58 115.21 2py8 h ASN 42 Ca 0.07 0.11 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 2py8 h ASN 42 Cb 0.59 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 2py8 h ASN 42 CO 0.03 -0.12 -0.40 1.56 -0.37 0.00 0.00 177.43 178.13 2py8 h GLN 43 N -0.01 0.34 -0.45 6.67 4.20 -1.04 -1.56 115.11 123.27 2py8 h GLN 43 Ca 0.17 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2py8 h GLN 43 Cb 0.26 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2py8 h GLN 43 CO -0.36 0.69 0.17 -0.92 -0.67 0.00 0.00 178.83 177.75 2py8 h TYR 44 N 0.28 0.70 -0.56 2.96 5.03 -0.42 -2.65 116.97 122.32 2py8 h TYR 44 Ca 0.03 -0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.30 2py8 h TYR 44 Cb 0.84 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 2py8 h TYR 44 CO 0.02 0.60 0.34 1.25 -1.32 0.00 0.00 178.16 179.06 2py8 h LEU 45 N 0.59 0.56 -1.43 2.82 6.46 -0.33 -0.25 115.31 123.74 2py8 h LEU 45 Ca 0.15 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 2py8 h LEU 45 Cb 0.21 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 2py8 h LEU 45 CO -0.01 0.40 0.49 0.00 -0.62 0.00 0.00 178.44 178.69 2py8 h ALA 46 N 1.24 1.84 -0.02 1.25 0.00 -1.00 -2.87 119.26 119.69 2py8 h ALA 46 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2py8 h ALA 46 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2py8 h ALA 46 CO -0.09 0.01 -0.22 -1.13 0.00 0.00 0.00 179.25 177.82 2py8 n SER 47 N -4.49 2.03 -4.03 0.00 3.41 -0.94 -4.91 113.62 104.68 2py8 n SER 47 Ca 0.12 -1.51 -0.28 0.00 -0.26 0.00 0.00 58.87 56.94 2py8 n SER 47 Cb 0.34 0.29 -0.17 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.82 1.93 0.30 7.33 3.76 -0.15 -5.09 115.29 121.56 2py8 s HIS 48 Ca 0.17 -0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 53.84 2py8 s HIS 48 Cb 0.14 -1.42 -0.11 0.00 1.11 0.00 0.00 32.58 32.31 2py8 s HIS 48 CO 0.36 -0.51 1.47 0.45 -0.85 0.00 0.00 174.74 175.66 2py8 s SER 49 N 1.14 6.53 -0.04 1.40 0.15 -1.26 -4.66 113.70 116.95 2py8 s SER 49 Ca -0.04 2.83 0.10 0.00 0.70 0.00 0.00 55.95 59.55 2py8 s SER 49 Cb -0.14 -2.64 0.29 0.00 -1.71 0.00 0.00 66.02 61.81 2py8 s SER 49 CO -0.04 -0.77 1.23 0.00 1.20 0.00 0.00 173.24 174.86 2py8 n ILE 50 N 1.65 1.31 0.24 6.45 3.06 -1.26 -4.56 119.36 126.26 2py8 n ILE 50 Ca 0.05 -1.26 0.11 0.00 -2.50 0.00 0.00 62.75 59.16 2py8 n ILE 50 Cb 0.39 0.30 0.60 0.00 0.54 0.00 0.00 39.64 41.48 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 1.44 0.00 -4.70 9.51 1.08 -1.93 -3.24 115.11 117.27 2py8 h GLN 51 Ca 0.00 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.52 2py8 h GLN 51 Cb 0.84 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.91 2py8 h GLN 51 CO 0.04 0.17 -0.69 1.21 -0.95 0.00 0.00 178.83 178.62 2py8 s ASN 52 N -6.15 4.86 0.45 1.46 3.84 -1.26 -4.92 114.94 113.22 2py8 s ASN 52 Ca -0.01 -1.70 0.17 0.00 0.21 0.00 0.00 52.86 51.52 2py8 s ASN 52 Cb 0.12 -1.69 1.03 0.00 -0.55 0.00 0.00 41.25 40.16 2py8 s ASN 52 CO 0.61 -0.34 1.97 1.23 -2.79 0.00 0.00 177.10 177.77 2py8 h GLY 53 N 7.87 0.00 0.45 1.21 0.00 -1.83 -2.26 103.07 108.51 2py8 h GLY 53 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2py8 h GLY 53 CO 0.55 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.91 2py8 h GLU 54 N 0.00 -0.03 -0.15 4.80 4.39 -1.94 -1.80 114.58 119.85 2py8 h GLU 54 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2py8 h GLU 54 Cb 0.40 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2py8 h GLU 54 CO 0.03 0.50 -0.27 1.79 -1.16 0.00 0.00 179.01 179.90 2py8 h THR 55 N -0.58 1.25 -0.28 1.13 1.35 -1.96 -0.93 112.91 112.89 2py8 h THR 55 Ca -0.00 -1.18 0.02 0.00 -0.55 0.00 0.00 66.41 64.70 2py8 h THR 55 Cb 0.54 1.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 2py8 h THR 55 CO 0.01 0.36 0.12 0.15 -0.25 0.00 0.00 175.52 175.91 2py8 h PHE 56 N 0.25 0.22 -0.37 4.73 3.04 -1.35 -1.18 116.94 122.28 2py8 h PHE 56 Ca 0.04 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.88 2py8 h PHE 56 Cb 0.61 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2py8 h PHE 56 CO 0.01 0.11 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.08 2py8 h LEU 57 N 0.26 0.78 -0.55 0.59 3.38 -0.88 -1.94 115.31 116.95 2py8 h LEU 57 Ca 0.12 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2py8 h LEU 57 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2py8 h LEU 57 CO -0.10 1.01 0.22 0.74 0.09 0.00 0.00 178.44 180.39 2py8 h THR 58 N 0.65 1.22 -0.31 0.22 2.02 -0.86 -1.96 112.91 113.90 2py8 h THR 58 Ca 0.08 -0.69 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 2py8 h THR 58 Cb 0.78 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2py8 h THR 58 CO 0.06 0.27 -0.38 -0.33 0.37 0.00 0.00 175.52 175.51 2py8 h GLU 59 N 0.75 0.74 -0.47 6.66 5.08 -1.16 -3.01 114.58 123.17 2py8 h GLU 59 Ca 0.18 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2py8 h GLU 59 Cb 0.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2py8 h GLU 59 CO -0.01 0.99 0.31 1.25 -1.00 0.00 0.00 179.01 180.55 2py8 h LEU 60 N 0.61 0.46 -1.18 1.33 6.46 -1.03 -2.71 115.31 119.24 2py8 h LEU 60 Ca 0.05 -0.01 0.25 0.00 -0.12 0.00 0.00 57.88 58.05 2py8 h LEU 60 Cb 0.92 -0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 40.64 2py8 h LEU 60 CO 0.08 0.32 0.63 -0.07 -0.62 0.00 0.00 178.44 178.78 2py8 h LEU 61 N 0.53 0.58 -1.86 2.25 3.38 -1.21 0.11 115.31 119.09 2py8 h LEU 61 Ca 0.19 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2py8 h LEU 61 Cb 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2py8 h LEU 61 CO -0.05 0.12 -0.12 0.44 0.09 0.00 0.00 178.44 178.93 2py8 h ASP 62 N 0.52 0.00 0.01 -0.43 3.32 -1.64 -3.27 116.42 114.93 2py8 h ASP 62 Ca 0.61 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 57.27 2py8 h ASP 62 Cb 1.30 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.79 2py8 h ASP 62 CO -0.37 0.12 -2.45 -0.62 -1.72 0.00 0.00 179.24 174.20 2py8 n GLU 63 N -3.59 0.66 -3.19 3.56 4.71 0.13 -4.97 120.64 117.96 2py8 n GLU 63 Ca -0.02 0.13 0.01 0.00 -0.01 0.00 0.00 57.16 57.28 2py8 n GLU 63 Cb 0.25 -1.53 -0.01 0.00 -1.01 0.00 0.00 31.44 29.14 2py8 n GLU 63 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2py8 s ASN 64 N -6.39 -1.36 0.13 1.62 3.84 0.16 -5.04 114.94 107.90 2py8 s ASN 64 Ca -0.31 -0.24 -0.17 0.00 0.21 0.00 0.00 52.86 52.35 2py8 s ASN 64 Cb 0.08 1.89 -0.02 0.00 -0.55 0.00 0.00 41.25 42.66 2py8 s ASN 64 CO 0.64 -0.26 1.73 0.11 -2.79 0.00 0.00 177.10 176.53 2py8 h LYS 65 N 7.65 0.49 -0.98 0.43 1.57 -1.80 -2.74 116.57 121.19 2py8 h LYS 65 Ca 0.01 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2py8 h LYS 65 Cb 1.18 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 2py8 h LYS 65 CO 0.14 0.42 0.63 1.49 -0.57 0.00 0.00 179.45 181.56 2py8 h GLU 66 N 0.44 1.05 -0.28 3.15 4.81 -1.96 -2.57 114.58 119.22 2py8 h GLU 66 Ca 0.12 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 2py8 h GLU 66 Cb 0.08 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 2py8 h GLU 66 CO -0.02 0.69 -0.40 1.25 -0.73 0.00 0.00 179.01 179.80 2py8 h LEU 67 N 1.08 0.84 -0.26 1.64 6.46 -1.91 -0.53 115.31 122.63 2py8 h LEU 67 Ca 0.44 -0.51 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 2py8 h LEU 67 Cb 0.28 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 2py8 h LEU 67 CO -0.19 1.18 -0.05 0.58 -0.62 0.00 0.00 178.44 179.34 2py8 h VAL 68 N 0.52 0.76 -0.79 1.05 2.07 -1.20 0.72 116.25 119.38 2py8 h VAL 68 Ca 0.03 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2py8 h VAL 68 Cb 1.00 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2py8 h VAL 68 CO 0.09 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 178.04 2py8 h LEU 69 N 0.02 0.99 -0.89 2.57 3.38 -1.19 0.35 115.31 120.53 2py8 h LEU 69 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2py8 h LEU 69 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2py8 h LEU 69 CO -0.25 0.80 0.53 -0.09 0.09 0.00 0.00 178.44 179.53 2py8 h ARG 70 N 1.11 1.22 -0.30 1.13 2.43 -0.43 -1.30 114.38 118.24 2py8 h ARG 70 Ca 0.28 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2py8 h ARG 70 Cb 0.04 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2py8 h ARG 70 CO -0.04 0.86 -0.23 0.82 -1.51 0.00 0.00 179.97 179.86 2py8 h ILE 71 N 1.23 1.30 -0.54 1.20 2.04 0.17 -2.11 117.51 120.80 2py8 h ILE 71 Ca 0.32 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.82 2py8 h ILE 71 Cb -0.04 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2py8 h ILE 71 CO -0.06 0.44 0.32 -0.07 0.00 0.00 0.00 178.15 178.78 2py8 h LEU 72 N 0.43 0.52 -0.32 1.44 3.38 -0.75 0.11 115.31 120.11 2py8 h LEU 72 Ca 0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2py8 h LEU 72 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2py8 h LEU 72 CO 0.06 0.36 -0.04 0.00 0.09 0.00 0.00 178.44 178.92 2py8 h ALA 73 N 1.24 0.44 -0.20 1.53 0.00 -1.13 -1.44 119.26 119.69 2py8 h ALA 73 Ca 0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2py8 h ALA 73 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2py8 h ALA 73 CO -0.10 0.23 -0.29 0.28 0.00 0.00 0.00 179.25 179.37 2py8 h VAL 74 N 0.38 1.27 -0.74 0.00 2.07 -1.21 -2.07 116.25 115.94 2py8 h VAL 74 Ca 0.09 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 2py8 h VAL 74 Cb 0.51 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2py8 h VAL 74 CO 0.02 0.41 0.34 -0.09 0.02 0.00 0.00 177.57 178.27 2py8 h ARG 75 N 0.34 1.07 -0.28 1.57 2.43 -0.42 -1.21 114.38 117.89 2py8 h ARG 75 Ca 0.05 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2py8 h ARG 75 Cb 0.69 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2py8 h ARG 75 CO 0.05 0.84 0.13 1.49 -1.51 0.00 0.00 179.97 180.97 2py8 h GLU 76 N 1.06 0.41 -0.51 0.20 4.81 -0.67 -0.95 114.58 118.92 2py8 h GLU 76 Ca 0.25 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2py8 h GLU 76 Cb 0.14 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2py8 h GLU 76 CO -0.03 0.40 0.03 -0.44 -0.73 0.00 0.00 179.01 178.23 2py8 h ASP 77 N 0.32 -0.16 -0.21 1.04 3.32 -0.76 -0.01 116.42 119.95 2py8 h ASP 77 Ca 0.10 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2py8 h ASP 77 Cb 0.13 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2py8 h ASP 77 CO -0.01 -0.05 -0.18 0.40 -1.72 0.00 0.00 179.24 177.67 2py8 h ILE 78 N 0.15 1.32 0.14 0.35 2.04 -1.05 -2.09 117.51 118.37 2py8 h ILE 78 Ca 0.26 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2py8 h ILE 78 Cb 0.39 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2py8 h ILE 78 CO -0.41 0.41 -0.19 0.00 0.00 0.00 0.00 178.15 177.96 2py8 h ALA 79 N 0.67 -0.34 -0.18 1.87 0.00 -0.81 -1.94 119.26 118.52 2py8 h ALA 79 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2py8 h ALA 79 Cb 0.72 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2py8 h ALA 79 CO 0.05 -0.72 0.12 0.93 0.00 0.00 0.00 179.25 179.62 2py8 h GLU 80 N -0.38 0.24 0.00 0.00 4.39 -0.96 0.22 114.58 118.09 2py8 h GLU 80 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2py8 h GLU 80 Cb 0.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2py8 h GLU 80 CO -0.08 0.16 0.00 0.66 -1.16 0.00 0.00 179.01 178.59 2py8 h SER 81 N 0.25 0.00 0.00 1.42 4.64 -0.65 -3.39 113.55 115.82 2py8 h SER 81 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2py8 h SER 81 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2py8 h SER 81 CO -0.01 0.00 -1.01 0.52 -0.87 0.00 0.00 176.83 175.45 2py8 n VAL 82 N -2.72 0.01 -0.30 0.95 0.31 -0.23 -4.86 118.33 111.50 2py8 n VAL 82 Ca 0.03 -0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.49 2py8 n VAL 82 Cb 0.37 -0.51 0.31 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.00 0.17 -0.54 7.52 3.38 -0.83 -0.70 115.31 124.30 2py8 h LEU 83 Ca -0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2py8 h LEU 83 Cb 1.01 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2py8 h LEU 83 CO -0.00 -0.10 0.00 0.44 0.09 0.00 0.00 178.44 178.87 2py8 h ASP 84 N 0.29 0.00 1.14 -0.43 3.32 -1.84 -2.70 116.42 116.21 2py8 h ASP 84 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2py8 h ASP 84 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2py8 h ASP 84 CO -0.60 0.00 -0.57 -0.26 -1.72 0.00 0.00 179.24 176.08 2py8 h PHE 85 N 0.00 0.00 -0.44 4.55 -1.00 -1.46 -3.40 116.94 115.19 2py8 h PHE 85 Ca 0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 2py8 h PHE 85 Cb 0.59 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 2py8 h PHE 85 CO 0.00 0.00 -0.11 -0.07 -1.61 0.00 0.00 178.31 176.52 2py8 h LEU 86 N 0.00 0.86 -0.18 1.54 3.38 -1.47 -0.91 115.31 118.53 2py8 h LEU 86 Ca 0.00 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2py8 h LEU 86 Cb 0.86 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2py8 h LEU 86 CO 0.00 1.02 -0.04 -0.65 0.09 0.00 0.00 178.44 178.86 2py8 h PRO 87 N 0.69 0.01 -0.17 1.13 0.11 -1.77 -0.39 132.00 131.60 2py8 h PRO 87 Ca 0.11 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 2py8 h PRO 87 Cb 0.65 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2py8 h PRO 87 CO 0.04 0.00 -0.03 0.78 -0.21 0.00 0.00 178.00 178.59 2py8 h GLY 88 N 0.01 0.35 1.66 -0.55 0.00 -1.79 -2.19 103.07 100.56 2py8 h GLY 88 Ca 0.09 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2py8 h GLY 88 CO -0.18 0.26 -0.36 -0.33 0.00 0.00 0.00 176.54 175.92 2py8 h MET 89 N 0.04 0.38 -0.42 4.80 2.86 -1.17 -1.49 114.93 119.93 2py8 h MET 89 Ca 0.04 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 2py8 h MET 89 Cb 0.46 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2py8 h MET 89 CO 0.01 0.70 -0.27 1.15 1.06 0.00 0.00 176.91 179.56 2py8 h THR 90 N 0.32 1.27 -0.58 2.22 2.02 -1.04 -0.52 112.91 116.61 2py8 h THR 90 Ca 0.04 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 2py8 h THR 90 Cb 0.79 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2py8 h THR 90 CO 0.06 0.48 0.24 0.03 0.37 0.00 0.00 175.52 176.71 2py8 h ARG 91 N 0.75 0.86 -0.32 6.66 3.08 -0.95 0.76 114.38 125.22 2py8 h ARG 91 Ca 0.09 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2py8 h ARG 91 Cb 0.83 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2py8 h ARG 91 CO 0.07 0.73 0.20 -0.91 -1.07 0.00 0.00 179.97 178.99 2py8 h ASN 92 N 0.79 0.34 -0.88 7.04 2.35 -1.17 -0.66 115.58 123.39 2py8 h ASN 92 Ca 0.19 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2py8 h ASN 92 Cb 0.18 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2py8 h ASN 92 CO -0.02 0.24 0.46 -1.28 -1.65 0.00 0.00 177.43 175.19 2py8 h SER 93 N 0.41 1.12 -0.57 5.81 0.87 -0.85 0.25 113.55 120.59 2py8 h SER 93 Ca 0.12 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2py8 h SER 93 Cb -0.03 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 2py8 h SER 93 CO -0.04 0.91 0.17 -0.07 -0.53 0.00 0.00 176.83 177.27 2py8 h LEU 94 N 1.24 0.84 -0.72 2.23 3.38 -0.58 -0.80 115.31 120.90 2py8 h LEU 94 Ca 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2py8 h LEU 94 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2py8 h LEU 94 CO -0.05 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.65 2py8 h ALA 95 N 1.04 0.93 -0.45 1.53 0.00 -0.70 -1.39 119.26 120.23 2py8 h ALA 95 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2py8 h ALA 95 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2py8 h ALA 95 CO -0.00 0.50 0.05 1.49 0.00 0.00 0.00 179.25 181.29 2py8 h GLU 96 N 1.01 0.70 -0.47 0.00 4.57 -0.68 -1.59 114.58 118.14 2py8 h GLU 96 Ca 0.25 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 2py8 h GLU 96 Cb 0.13 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2py8 h GLU 96 CO -0.03 0.68 -0.06 1.03 -1.18 0.00 0.00 179.01 179.45 2py8 h SER 97 N 0.67 0.87 -0.60 1.04 0.87 -0.73 -2.32 113.55 113.34 2py8 h SER 97 Ca 0.14 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 2py8 h SER 97 Cb 0.34 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2py8 h SER 97 CO 0.01 1.00 0.40 0.78 -0.53 0.00 0.00 176.83 178.48 2py8 h ASN 98 N 0.72 0.69 -0.68 6.23 2.35 -0.83 -0.91 115.58 123.15 2py8 h ASN 98 Ca 0.13 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2py8 h ASN 98 Cb 0.59 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 2py8 h ASN 98 CO 0.04 0.50 0.40 0.40 -1.65 0.00 0.00 177.43 177.12 2py8 h ILE 99 N 0.82 1.01 -0.31 2.81 2.04 -1.21 0.11 117.51 122.79 2py8 h ILE 99 Ca 0.22 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 2py8 h ILE 99 Cb -0.09 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2py8 h ILE 99 CO -0.05 0.14 -0.22 0.00 0.00 0.00 0.00 178.15 178.02 2py8 h ALA 100 N 1.33 0.44 -0.44 1.87 0.00 -0.89 -1.72 119.26 119.85 2py8 h ALA 100 Ca 0.30 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2py8 h ALA 100 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2py8 h ALA 100 CO -0.16 0.40 -0.26 0.45 0.00 0.00 0.00 179.25 179.69 2py8 h HIS 101 N 0.45 1.08 -0.51 0.00 3.86 -1.06 -1.58 115.15 117.39 2py8 h HIS 101 Ca 0.06 -0.27 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 2py8 h HIS 101 Cb 0.78 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 2py8 h HIS 101 CO 0.07 1.08 0.31 -0.09 0.86 0.00 0.00 177.93 180.16 2py8 h ARG 102 N 0.80 0.61 -0.46 2.45 2.43 -0.92 0.13 114.38 119.41 2py8 h ARG 102 Ca 0.10 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2py8 h ARG 102 Cb 0.83 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2py8 h ARG 102 CO 0.07 0.40 0.24 -0.09 -1.51 0.00 0.00 179.97 179.08 2py8 h ARG 103 N 0.62 0.46 -0.65 0.20 2.43 -1.17 -0.13 114.38 116.14 2py8 h ARG 103 Ca 0.20 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2py8 h ARG 103 Cb 0.01 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2py8 h ARG 103 CO -0.09 0.30 0.21 1.25 -1.51 0.00 0.00 179.97 180.13 2py8 h HIS 104 N 0.47 1.04 -0.63 2.20 2.76 -0.80 -1.52 115.15 118.67 2py8 h HIS 104 Ca 0.20 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2py8 h HIS 104 Cb 0.09 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 2py8 h HIS 104 CO -0.10 0.85 0.35 1.25 -1.30 0.00 0.00 177.93 178.98 2py8 h LEU 105 N 0.94 0.77 -1.35 0.26 6.46 -0.36 -2.04 115.31 119.99 2py8 h LEU 105 Ca 0.21 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2py8 h LEU 105 Cb 0.29 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2py8 h LEU 105 CO -0.01 0.63 0.22 0.25 -0.62 0.00 0.00 178.44 178.92 2py8 h LEU 106 N 0.85 0.59 -0.89 2.25 5.85 -0.65 0.03 115.31 123.35 2py8 h LEU 106 Ca 0.22 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2py8 h LEU 106 Cb 0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2py8 h LEU 106 CO -0.04 0.51 0.03 -0.08 -0.34 0.00 0.00 178.44 178.53 2py8 h GLU 107 N 0.67 0.85 -0.27 1.25 4.81 -0.71 -0.95 114.58 120.23 2py8 h GLU 107 Ca 0.17 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2py8 h GLU 107 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2py8 h GLU 107 CO -0.02 0.83 -0.22 0.00 -0.73 0.00 0.00 179.01 178.87 2py8 h ARG 108 N 0.80 0.63 -0.63 1.92 3.08 -0.63 -2.66 114.38 116.88 2py8 h ARG 108 Ca 0.16 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 59.96 2py8 h ARG 108 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2py8 h ARG 108 CO 0.02 0.91 0.33 1.25 -1.07 0.00 0.00 179.97 181.41 2py8 h LEU 109 N 0.36 0.47 -0.86 3.04 6.46 -0.89 -0.55 115.31 123.35 2py8 h LEU 109 Ca 0.05 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2py8 h LEU 109 Cb 0.77 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 2py8 h LEU 109 CO 0.06 0.30 0.53 0.74 -0.62 0.00 0.00 178.44 179.45 2py8 h THR 110 N 0.61 1.23 -0.59 1.05 2.02 -1.08 -0.02 112.91 116.13 2py8 h THR 110 Ca 0.29 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2py8 h THR 110 Cb 0.21 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2py8 h THR 110 CO -0.20 0.24 -0.03 -0.09 0.37 0.00 0.00 175.52 175.81 2py8 h ARG 111 N 1.17 1.06 -0.43 6.66 1.12 -1.05 -2.64 114.38 120.28 2py8 h ARG 111 Ca 0.31 -0.35 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 2py8 h ARG 111 Cb -0.08 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.77 2py8 h ARG 111 CO -0.06 1.05 -0.03 1.15 -3.11 0.00 0.00 179.97 178.97 2py8 h THR 112 N 0.96 1.24 -0.92 0.20 2.02 0.10 -1.68 112.91 114.82 2py8 h THR 112 Ca 0.16 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2py8 h THR 112 Cb 0.59 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 2py8 h THR 112 CO 0.04 0.34 0.55 0.58 0.37 0.00 0.00 175.52 177.40 2py8 h VAL 113 N 0.66 1.25 -0.60 3.16 2.07 -0.88 -0.07 116.25 121.84 2py8 h VAL 113 Ca 0.13 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 2py8 h VAL 113 Cb 0.46 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2py8 h VAL 113 CO 0.02 0.27 -0.00 0.00 0.02 0.00 0.00 177.57 177.88 2py8 h ALA 114 N 1.33 0.85 -0.64 1.67 0.00 -1.08 0.19 119.26 121.59 2py8 h ALA 114 Ca 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2py8 h ALA 114 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2py8 h ALA 114 CO -0.06 0.67 0.32 0.93 0.00 0.00 0.00 179.25 181.11 2py8 h GLU 115 N 0.97 0.92 0.05 0.00 5.08 -1.02 0.07 114.58 120.65 2py8 h GLU 115 Ca 0.17 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2py8 h GLU 115 Cb 0.56 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2py8 h GLU 115 CO 0.03 0.72 -0.02 0.28 -1.00 0.00 0.00 179.01 179.02 2py8 h VAL 116 N 0.88 1.12 -0.74 3.13 2.07 -0.69 -0.77 116.25 121.26 2py8 h VAL 116 Ca 0.22 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.26 2py8 h VAL 116 Cb 0.09 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2py8 h VAL 116 CO -0.03 0.14 0.49 0.44 0.02 0.00 0.00 177.57 178.62 2py8 h ASP 117 N -0.30 0.70 -0.37 0.57 3.32 -0.44 -2.89 116.42 117.01 2py8 h ASP 117 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2py8 h ASP 117 Cb 0.27 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2py8 h ASP 117 CO 0.01 0.46 0.03 0.59 -1.72 0.00 0.00 179.24 178.61 2py8 n ASN 118 N -4.48 3.95 -4.65 6.45 3.02 -0.00 -5.06 115.26 114.49 2py8 n ASN 118 Ca 0.11 -3.16 -0.46 0.00 -0.03 0.00 0.00 54.58 51.04 2py8 n ASN 118 Cb 0.21 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 2py8 n ASN 118 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2py8 n PHE 119 N -0.47 2.00 1.70 3.10 -0.00 -0.30 -0.30 117.46 123.19 2py8 n PHE 119 Ca 0.27 0.47 0.13 0.00 -0.00 0.00 0.00 57.45 58.32 2py8 n PHE 119 Cb 1.01 -2.43 0.63 0.00 -0.00 0.00 0.00 39.48 38.69 2py8 n PHE 119 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2py8 n PRO 120 N 2.07 1.34 -1.75 -7.13 -0.04 -1.26 -5.09 135.00 123.13 2py8 n PRO 120 Ca 0.13 -0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 62.76 2py8 n PRO 120 Cb 0.30 -1.43 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2py8 n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2py8 s SER 121 N -1.82 5.11 0.12 3.54 0.15 0.59 -4.98 113.70 116.41 2py8 s SER 121 Ca 0.38 1.99 0.16 0.00 0.70 0.00 0.00 55.95 59.18 2py8 s SER 121 Cb 0.19 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 2py8 s SER 121 CO 0.30 -1.63 1.00 -0.08 1.20 0.00 0.00 173.24 174.04 2py8 h GLU 122 N 0.02 0.00 0.00 5.44 4.81 -1.88 -3.40 114.58 119.57 2py8 h GLU 122 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2py8 h GLU 122 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2py8 h GLU 122 CO 0.54 0.36 0.00 0.25 -0.73 0.00 0.00 179.01 179.43 2py8 n THR 123 N -2.99 0.00 -0.90 0.32 -2.24 -1.26 -3.76 114.28 103.45 2py8 n THR 123 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2py8 n THR 123 Cb 0.81 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2py8 n THR 123 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30