#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oeq h PRO 4 N 0.00 0.07 -0.01 5.31 0.11 -2.08 -3.18 132.00 132.22 2oeq h PRO 4 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2oeq h PRO 4 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 2oeq h PRO 4 CO 0.00 0.20 -0.16 1.28 -0.21 0.00 0.00 178.00 179.11 2oeq n LEU 5 N -4.97 0.91 -0.02 2.35 4.77 -1.26 -4.12 117.00 114.65 2oeq n LEU 5 Ca -0.07 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.60 2oeq n LEU 5 Cb 0.11 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2oeq n LEU 5 CO 0.34 0.17 0.88 -0.74 -1.33 0.00 0.00 177.39 176.70 2oeq h HIS 6 N 1.17 0.05 -0.20 -1.77 2.76 -1.99 0.79 115.15 115.97 2oeq h HIS 6 Ca 0.00 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2oeq h HIS 6 Cb 0.45 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.34 2oeq h HIS 6 CO 0.00 0.02 -0.39 0.00 -1.30 0.00 0.00 177.93 176.26 2oeq h ALA 7 N 1.11 -0.48 -0.78 5.26 0.00 -1.74 0.84 119.26 123.47 2oeq h ALA 7 Ca 0.07 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.17 2oeq h ALA 7 Cb 0.06 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 2oeq h ALA 7 CO -0.09 -0.87 0.23 -0.07 0.00 0.00 0.00 179.25 178.45 2oeq h LEU 8 N -0.42 0.08 0.28 0.00 3.38 -1.63 -2.01 115.31 114.99 2oeq h LEU 8 Ca 0.10 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2oeq h LEU 8 Cb 0.59 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2oeq h LEU 8 CO -0.43 -0.03 -0.43 0.00 0.09 0.00 0.00 178.44 177.64 2oeq h ALA 9 N 1.64 -0.86 -0.94 1.53 0.00 0.15 -1.95 119.26 118.84 2oeq h ALA 9 Ca 0.45 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.40 2oeq h ALA 9 Cb 0.80 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2oeq h ALA 9 CO -0.52 -1.03 0.60 0.00 0.00 0.00 0.00 179.25 178.29 2oeq h ARG 10 N -0.77 0.72 -0.84 0.00 3.08 -0.59 0.15 114.38 116.14 2oeq h ARG 10 Ca -0.01 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2oeq h ARG 10 Cb 0.73 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 2oeq h ARG 10 CO -0.15 0.48 0.55 0.37 -1.07 0.00 0.00 179.97 180.14 2oeq h GLN 11 N 0.74 1.12 -0.65 0.04 5.75 -0.92 -0.85 115.11 120.34 2oeq h GLN 11 Ca 0.49 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 2oeq h GLN 11 Cb 0.75 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2oeq h GLN 11 CO -0.25 0.75 0.42 1.25 -2.65 0.00 0.00 178.83 178.35 2oeq h LEU 12 N 1.14 0.75 -0.13 -2.39 6.46 -0.05 -1.42 115.31 119.67 2oeq h LEU 12 Ca 0.31 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.07 2oeq h LEU 12 Cb -0.11 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.60 2oeq h LEU 12 CO -0.06 0.55 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.19 2oeq h GLU 13 N 0.88 -0.01 0.14 1.25 4.81 -0.59 0.18 114.58 121.24 2oeq h GLU 13 Ca 0.24 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2oeq h GLU 13 Cb -0.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2oeq h GLU 13 CO -0.05 -0.00 -0.31 0.37 -0.73 0.00 0.00 179.01 178.28 2oeq h GLN 14 N -0.01 -0.53 -0.68 1.92 4.15 -0.77 0.44 115.11 119.62 2oeq h GLN 14 Ca 0.06 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.60 2oeq h GLN 14 Cb 0.11 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 2oeq h GLN 14 CO -0.14 -0.35 0.34 0.00 -1.93 0.00 0.00 178.83 176.75 2oeq h ALA 15 N 0.10 0.93 0.81 3.38 0.00 -0.97 0.18 119.26 123.69 2oeq h ALA 15 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2oeq h ALA 15 Cb 0.57 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2oeq h ALA 15 CO -0.17 -0.03 -0.39 0.82 0.00 0.00 0.00 179.25 179.48 2oeq h ILE 16 N 0.60 0.20 -0.02 0.00 2.04 -0.01 0.99 117.51 121.32 2oeq h ILE 16 Ca 0.33 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 2oeq h ILE 16 Cb 0.31 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2oeq h ILE 16 CO -0.24 0.00 -0.30 0.08 0.00 0.00 0.00 178.15 177.69 2oeq h ARG 17 N -1.10 0.03 0.00 2.37 0.11 -0.67 -2.63 114.38 112.49 2oeq h ARG 17 Ca -0.11 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 2oeq h ARG 17 Cb 0.84 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.91 2oeq h ARG 17 CO 0.18 0.33 -0.04 0.00 0.10 0.00 0.00 179.97 180.54 2oeq h ALA 18 N 1.67 1.00 -3.04 0.08 0.00 -0.27 -3.39 119.26 115.31 2oeq h ALA 18 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 2oeq h ALA 18 Cb 0.55 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.48 2oeq h ALA 18 CO 0.04 0.04 0.53 -1.54 0.00 0.00 0.00 179.25 178.33 2oeq s SER 19 N -5.86 4.87 0.22 0.00 1.04 0.31 -4.78 113.70 109.50 2oeq s SER 19 Ca 0.02 2.63 -0.12 0.00 0.48 0.00 0.00 55.95 58.96 2oeq s SER 19 Cb 0.08 -2.62 0.28 0.00 0.10 0.00 0.00 66.02 63.87 2oeq s SER 19 CO 0.58 -1.82 1.63 -0.33 0.98 0.00 0.00 173.24 174.28 2oeq h GLU 20 N 0.85 0.04 -0.68 4.02 4.39 -1.89 0.46 114.58 121.76 2oeq h GLU 20 Ca -0.51 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 2oeq h GLU 20 Cb 1.32 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 2oeq h GLU 20 CO 0.55 0.02 0.22 -1.35 -1.16 0.00 0.00 179.01 177.29 2oeq h PRO 21 N 0.04 1.06 -0.39 2.33 0.11 -1.92 -1.23 132.00 131.99 2oeq h PRO 21 Ca 0.33 -0.22 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 2oeq h PRO 21 Cb 0.52 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2oeq h PRO 21 CO -0.64 0.91 0.02 0.35 -0.21 0.00 0.00 178.00 178.43 2oeq h PHE 22 N 1.00 0.63 -0.63 0.65 3.57 -1.45 -1.83 116.94 118.88 2oeq h PHE 22 Ca 0.22 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2oeq h PHE 22 Cb 0.29 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2oeq h PHE 22 CO 0.02 0.60 0.09 1.96 -2.23 0.00 0.00 178.31 178.75 2oeq h GLN 23 N 0.58 1.05 0.00 1.11 1.08 -0.39 -1.91 115.11 116.63 2oeq h GLN 23 Ca 0.12 -0.29 -0.11 0.00 -1.45 0.00 0.00 58.65 56.92 2oeq h GLN 23 Cb 0.34 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2oeq h GLN 23 CO 0.01 0.98 -0.52 1.96 -0.95 0.00 0.00 178.83 180.31 2oeq h GLN 24 N 0.96 0.00 -0.30 1.46 4.20 -0.95 0.25 115.11 120.73 2oeq h GLN 24 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2oeq h GLN 24 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2oeq h GLN 24 CO 0.01 0.52 0.05 1.25 -0.67 0.00 0.00 178.83 180.00 2oeq h LEU 25 N 0.00 0.48 -0.15 1.46 7.12 -1.13 0.95 115.31 124.04 2oeq h LEU 25 Ca -0.01 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 57.78 2oeq h LEU 25 Cb 1.00 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.97 2oeq h LEU 25 CO 0.07 0.62 -0.07 0.11 -0.13 0.00 0.00 178.44 179.04 2oeq h LYS 26 N 0.32 -0.05 -0.31 1.25 1.57 -0.80 -1.18 116.57 117.37 2oeq h LYS 26 Ca 0.09 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2oeq h LYS 26 Cb 0.34 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 2oeq h LYS 26 CO 0.01 -0.04 -0.30 -0.09 -0.57 0.00 0.00 179.45 178.46 2oeq h ARG 27 N -0.06 -0.27 -0.67 3.15 9.65 -0.51 0.34 114.38 126.01 2oeq h ARG 27 Ca 0.08 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.03 2oeq h ARG 27 Cb 0.18 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 2oeq h ARG 27 CO -0.18 -0.18 0.44 0.00 2.80 0.00 0.00 179.97 182.85 2oeq h ALA 28 N 0.72 1.68 -0.16 2.80 0.00 -0.48 0.84 119.26 124.66 2oeq h ALA 28 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2oeq h ALA 28 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2oeq h ALA 28 CO -0.46 0.23 -0.48 -0.92 0.00 0.00 0.00 179.25 177.62 2oeq h TYR 29 N 0.74 0.50 -0.30 0.00 5.03 0.08 -3.09 116.97 119.93 2oeq h TYR 29 Ca 0.28 -0.16 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 2oeq h TYR 29 Cb 0.16 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2oeq h TYR 29 CO -0.00 0.81 0.06 0.93 -1.32 0.00 0.00 178.16 178.64 2oeq h GLU 30 N 0.33 0.49 0.00 1.82 4.39 0.11 -1.85 114.58 119.86 2oeq h GLU 30 Ca 0.02 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2oeq h GLU 30 Cb 0.97 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2oeq h GLU 30 CO 0.08 0.58 0.00 -0.25 -1.16 0.00 0.00 179.01 178.26 2oeq n ASP 31 N -4.65 0.58 -0.04 1.42 9.92 -0.20 -1.90 116.55 121.67 2oeq n ASP 31 Ca -0.02 0.71 -0.20 0.00 -0.53 0.00 0.00 54.79 54.75 2oeq n ASP 31 Cb 0.20 -0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 39.74 2oeq n ASP 31 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2oeq n VAL 32 N -2.21 1.67 0.27 2.53 0.31 -1.00 -3.34 118.33 116.56 2oeq n VAL 32 Ca 0.00 -0.63 0.10 0.00 -0.01 0.00 0.00 64.34 63.80 2oeq n VAL 32 Cb 0.12 -1.59 0.72 0.00 -0.91 0.00 0.00 33.84 32.19 2oeq n VAL 32 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2oeq h ARG 33 N 0.04 0.00 -0.45 5.55 2.43 -0.96 -1.99 114.38 119.00 2oeq h ARG 33 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2oeq h ARG 33 Cb 1.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 2oeq h ARG 33 CO 0.03 0.01 0.00 0.54 -1.51 0.00 0.00 179.97 179.03 2oeq n ARG 34 N -4.31 3.25 -3.99 0.20 1.74 -0.80 -4.86 116.66 107.88 2oeq n ARG 34 Ca -0.03 -2.62 -0.31 0.00 -0.77 0.00 0.00 57.85 54.13 2oeq n ARG 34 Cb 0.09 -1.69 -0.16 0.00 -1.02 0.00 0.00 32.46 29.69 2oeq n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2oeq s ASP 35 N -1.23 3.71 0.21 0.55 3.68 -0.76 -5.04 116.67 117.79 2oeq s ASP 35 Ca 0.40 -1.06 -0.16 0.00 2.13 0.00 0.00 52.55 53.86 2oeq s ASP 35 Cb 0.27 -1.27 0.21 0.00 -1.45 0.00 0.00 42.92 40.67 2oeq s ASP 35 CO 0.17 -0.18 1.60 -0.33 0.13 0.00 0.00 175.17 176.57 2oeq h GLU 36 N 7.93 -0.07 0.81 4.34 5.08 -1.89 0.20 114.58 130.98 2oeq h GLU 36 Ca -0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2oeq h GLU 36 Cb 1.08 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2oeq h GLU 36 CO 0.46 -0.05 -0.50 1.15 -1.00 0.00 0.00 179.01 179.07 2oeq h THR 37 N -0.07 0.00 -0.90 1.13 2.02 -1.96 -1.79 112.91 111.34 2oeq h THR 37 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 2oeq h THR 37 Cb 0.53 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2oeq h THR 37 CO -0.70 0.00 0.49 0.00 0.37 0.00 0.00 175.52 175.67 2oeq h ALA 38 N -1.19 1.17 0.00 6.16 0.00 -1.80 -2.08 119.26 121.53 2oeq h ALA 38 Ca -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2oeq h ALA 38 Cb 0.98 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2oeq h ALA 38 CO 0.11 0.67 -0.15 -0.92 0.00 0.00 0.00 179.25 178.96 2oeq h TYR 39 N 1.26 0.00 0.00 0.00 3.20 -0.88 0.91 116.97 121.46 2oeq h TYR 39 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2oeq h TYR 39 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2oeq h TYR 39 CO 0.01 0.15 0.00 -2.13 -1.64 0.00 0.00 178.16 174.55 2oeq n ARG 40 N -3.37 0.69 0.00 1.82 0.63 -0.68 -1.33 116.66 114.42 2oeq n ARG 40 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2oeq n ARG 40 Cb 0.35 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.03 2oeq n ARG 40 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2oeq n PHE 42 N -0.07 0.00 0.04 -0.14 7.35 0.32 -1.95 117.46 123.01 2oeq n PHE 42 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2oeq n PHE 42 Cb 0.11 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.90 2oeq n PHE 42 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2oeq h ALA 43 N 0.00 -0.08 0.23 3.13 0.00 -1.42 -1.00 119.26 120.12 2oeq h ALA 43 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oeq h ALA 43 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2oeq h ALA 43 CO 0.00 -0.58 -0.44 -0.97 0.00 0.00 0.00 179.25 177.26 2oeq h ASN 44 N -0.16 -1.27 -0.75 0.00 -1.24 -1.64 -0.65 115.58 109.85 2oeq h ASN 44 Ca 0.05 0.12 0.02 0.00 0.71 0.00 0.00 56.30 57.20 2oeq h ASN 44 Cb 0.23 0.45 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 2oeq h ASN 44 CO -0.13 -0.51 0.50 -0.37 -1.29 0.00 0.00 177.43 175.63 2oeq h VAL 45 N -0.72 1.17 -0.33 2.57 -1.51 -1.83 -1.40 116.25 114.20 2oeq h VAL 45 Ca -0.02 -0.34 0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2oeq h VAL 45 Cb 0.68 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 29.91 2oeq h VAL 45 CO -0.17 0.18 0.22 -0.09 -1.23 0.00 0.00 177.57 176.48 2oeq h ARG 46 N 0.99 0.38 0.17 5.19 2.43 -0.69 -1.12 114.38 121.73 2oeq h ARG 46 Ca 0.28 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 59.13 2oeq h ARG 46 Cb -0.07 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2oeq h ARG 46 CO -0.07 0.25 -1.32 -0.44 -1.51 0.00 0.00 179.97 176.88 2oeq h ASP 47 N 0.39 0.64 -0.10 -3.80 3.32 -0.09 -1.58 116.42 115.20 2oeq h ASP 47 Ca 0.13 -0.67 0.02 0.00 0.02 0.00 0.00 57.03 56.53 2oeq h ASP 47 Cb 0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2oeq h ASP 47 CO -0.03 1.51 -0.02 0.40 -1.72 0.00 0.00 179.24 179.38 2oeq h ILE 48 N 0.13 0.91 0.00 0.35 2.04 -0.77 0.87 117.51 121.04 2oeq h ILE 48 Ca -0.18 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2oeq h ILE 48 Cb 2.02 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2oeq h ILE 48 CO 0.23 0.00 -0.17 1.56 0.00 0.00 0.00 178.15 179.78 2oeq h GLN 49 N 0.01 0.00 -0.02 2.37 1.08 -1.29 -0.86 115.11 116.40 2oeq h GLN 49 Ca 0.05 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.08 2oeq h GLN 49 Cb 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2oeq h GLN 49 CO -0.10 0.17 -0.66 1.25 -0.95 0.00 0.00 178.83 178.54 2oeq h LEU 50 N 0.00 0.61 0.16 1.46 5.85 -0.33 -2.94 115.31 120.12 2oeq h LEU 50 Ca -0.00 -0.74 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 2oeq h LEU 50 Cb 0.47 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2oeq h LEU 50 CO 0.02 1.26 -0.08 -0.09 -0.34 0.00 0.00 178.44 179.22 2oeq h ARG 51 N 0.02 -0.21 -0.30 1.25 2.43 -0.53 -1.88 114.38 115.15 2oeq h ARG 51 Ca -0.08 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2oeq h ARG 51 Cb 1.35 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.86 2oeq h ARG 51 CO 0.13 0.07 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.26 2oeq h LEU 52 N -0.48 -1.06 -2.03 3.80 3.38 -1.27 0.27 115.31 117.93 2oeq h LEU 52 Ca -0.02 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2oeq h LEU 52 Cb 0.37 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2oeq h LEU 52 CO 0.04 -0.33 0.20 -0.74 0.09 0.00 0.00 178.44 177.69 2oeq h HIS 53 N -0.30 0.00 -0.08 1.13 2.76 -1.46 -0.58 115.15 116.61 2oeq h HIS 53 Ca 0.14 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2oeq h HIS 53 Cb 0.54 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 2oeq h HIS 53 CO -0.49 0.00 -0.12 1.49 -1.30 0.00 0.00 177.93 177.51 2oeq h GLU 54 N 0.00 0.23 -0.62 5.26 4.57 0.28 -3.19 114.58 121.11 2oeq h GLU 54 Ca 0.13 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2oeq h GLU 54 Cb 0.53 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 2oeq h GLU 54 CO -0.00 0.70 0.41 0.87 -1.18 0.00 0.00 179.01 179.81 2oeq h LYS 55 N -0.22 0.55 -1.24 1.92 1.57 0.54 -2.04 116.57 117.64 2oeq h LYS 55 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2oeq h LYS 55 Cb 0.67 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2oeq h LYS 55 CO 0.03 0.36 0.00 0.94 -0.57 0.00 0.00 179.45 180.21 2oeq n GLN 56 N -4.48 0.78 0.00 3.15 7.27 -0.45 0.26 117.38 123.91 2oeq n GLN 56 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2oeq n GLN 56 Cb 0.27 -1.11 0.00 0.00 2.41 0.00 0.00 30.24 31.81 2oeq n GLN 56 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2oeq n ARG 58 N 0.63 0.00 -1.09 3.69 1.74 -0.77 -4.57 116.66 116.30 2oeq n ARG 58 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2oeq n ARG 58 Cb 0.39 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.82 2oeq n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oeq n GLY 59 N 0.00 0.40 3.72 -0.13 0.00 -0.51 -4.96 105.19 103.70 2oeq n GLY 59 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2oeq n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oeq s ALA 60 N -1.50 2.06 0.74 4.61 0.00 0.14 -4.98 121.76 122.84 2oeq s ALA 60 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 2oeq s ALA 60 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2oeq s ALA 60 CO 0.00 -1.95 1.10 0.00 0.00 0.00 0.00 175.76 174.91 2oeq s ALA 61 N -2.12 2.30 -0.34 0.00 0.00 -1.26 -4.61 121.76 115.73 2oeq s ALA 61 Ca 0.73 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 2oeq s ALA 61 Cb -0.27 -3.30 0.14 0.00 0.00 0.00 0.00 23.12 19.68 2oeq s ALA 61 CO 0.47 -1.64 0.24 0.42 0.00 0.00 0.00 175.76 175.24 2oeq s ILE 62 N -2.70 -0.03 1.01 0.00 1.01 -1.26 -5.00 121.20 114.24 2oeq s ILE 62 Ca 0.63 -1.34 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 2oeq s ILE 62 Cb -0.19 -0.99 0.20 0.00 0.01 0.00 0.00 42.46 41.49 2oeq s ILE 62 CO 0.51 -0.84 1.09 -0.76 0.00 0.00 0.00 174.94 174.95 2oeq s LEU 63 N 1.39 1.96 0.56 2.97 1.02 -1.26 -4.87 118.68 120.45 2oeq s LEU 63 Ca 0.16 1.83 0.28 0.00 0.02 0.00 0.00 54.13 56.42 2oeq s LEU 63 Cb -0.20 -4.03 1.67 0.00 0.02 0.00 0.00 46.19 43.65 2oeq s LEU 63 CO -0.08 -3.48 2.18 -0.65 0.02 0.00 0.00 176.35 174.35 2oeq h PRO 64 N -2.13 0.00 0.00 1.29 0.11 -2.00 -3.10 132.00 126.17 2oeq h PRO 64 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2oeq h PRO 64 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2oeq h PRO 64 CO 0.47 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 2oeq n ASP 65 N -3.78 0.00 -0.23 -2.05 8.00 -1.26 0.12 116.55 117.34 2oeq n ASP 65 Ca -0.03 0.86 -0.07 0.00 0.71 0.00 0.00 54.79 56.27 2oeq n ASP 65 Cb 0.14 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 2oeq n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2oeq h GLU 66 N 0.00 -0.17 -0.74 -1.24 5.08 -1.91 0.62 114.58 116.22 2oeq h GLU 66 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2oeq h GLU 66 Cb 0.00 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2oeq h GLU 66 CO 0.00 -0.11 0.48 0.82 -1.00 0.00 0.00 179.01 179.20 2oeq h ILE 67 N -0.18 1.03 0.34 3.13 1.08 -1.34 0.75 117.51 122.31 2oeq h ILE 67 Ca 0.21 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2oeq h ILE 67 Cb 0.56 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2oeq h ILE 67 CO -0.72 0.14 -0.16 -0.33 -0.69 0.00 0.00 178.15 176.39 2oeq h GLU 68 N 0.78 -0.43 -1.14 2.37 5.08 0.37 -1.91 114.58 119.70 2oeq h GLU 68 Ca 0.32 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 59.02 2oeq h GLU 68 Cb 0.24 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2oeq h GLU 68 CO -0.11 -0.29 0.77 0.37 -1.00 0.00 0.00 179.01 178.76 2oeq h GLN 69 N -0.78 0.18 -0.00 2.33 4.15 0.33 0.13 115.11 121.45 2oeq h GLN 69 Ca -0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2oeq h GLN 69 Cb 0.35 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2oeq h GLN 69 CO 0.08 0.12 -0.02 0.00 -1.93 0.00 0.00 178.83 177.07 2oeq h ALA 70 N 1.52 0.01 0.00 3.38 0.00 0.51 -3.02 119.26 121.66 2oeq h ALA 70 Ca 0.60 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2oeq h ALA 70 Cb 1.96 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 2oeq h ALA 70 CO -0.17 -0.13 -0.12 1.96 0.00 0.00 0.00 179.25 180.78 2oeq h GLN 71 N -0.65 0.00 0.12 0.00 4.20 -0.16 -2.04 115.11 116.58 2oeq h GLN 71 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2oeq h GLN 71 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2oeq h GLN 71 CO 0.00 0.12 -0.15 -0.22 -0.67 0.00 0.00 178.83 177.92 2oeq h LYS 72 N 0.00 -0.30 -1.82 1.46 3.64 -0.80 -1.24 116.57 117.52 2oeq h LYS 72 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2oeq h LYS 72 Cb 0.33 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2oeq h LYS 72 CO 0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.00 2oeq n ALA 73 N -2.38 1.56 0.00 5.00 0.00 -0.77 -1.11 120.51 122.81 2oeq n ALA 73 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2oeq n ALA 73 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2oeq n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oeq n ALA 75 N 0.93 0.00 -0.22 0.00 0.00 -0.47 -0.26 120.51 120.49 2oeq n ALA 75 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2oeq n ALA 75 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.52 2oeq n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2oeq h LEU 76 N 0.00 0.87 -0.90 0.00 5.85 -1.38 -2.78 115.31 116.97 2oeq h LEU 76 Ca 0.00 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2oeq h LEU 76 Cb 0.00 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2oeq h LEU 76 CO 0.00 0.81 0.59 0.00 -0.34 0.00 0.00 178.44 179.50 2oeq h ALA 77 N 1.09 1.15 0.00 1.25 0.00 -0.90 0.04 119.26 121.89 2oeq h ALA 77 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2oeq h ALA 77 Cb 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2oeq h ALA 77 CO -0.01 0.56 0.00 0.94 0.00 0.00 0.00 179.25 180.74 2oeq n GLN 78 N -4.44 0.13 0.18 0.00 0.00 -1.06 -1.10 117.38 111.11 2oeq n GLN 78 Ca 0.10 0.55 0.12 0.00 -0.00 0.00 0.00 57.00 57.77 2oeq n GLN 78 Cb 0.02 -1.87 0.21 0.00 0.00 0.00 0.00 30.24 28.61 2oeq n GLN 78 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2oeq h GLN 79 N 0.00 0.00 -5.27 3.69 5.75 -0.93 -3.43 115.11 114.93 2oeq h GLN 79 Ca 0.00 0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.84 2oeq h GLN 79 Cb 0.11 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 28.50 2oeq h GLN 79 CO 0.00 0.00 0.19 1.21 -2.65 0.00 0.00 178.83 177.58 2oeq s ASN 80 N -5.74 6.27 0.28 -0.69 3.84 -0.26 -4.95 114.94 113.70 2oeq s ASN 80 Ca 0.07 -0.67 -0.04 0.00 0.21 0.00 0.00 52.86 52.43 2oeq s ASN 80 Cb 0.07 -2.33 0.56 0.00 -0.55 0.00 0.00 41.25 39.00 2oeq s ASN 80 CO 0.66 -0.95 1.59 -0.33 -2.79 0.00 0.00 177.10 175.28 2oeq h GLU 81 N 9.05 0.03 0.42 0.43 5.08 -1.84 0.42 114.58 128.16 2oeq h GLU 81 Ca -0.27 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2oeq h GLU 81 Cb 1.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2oeq h GLU 81 CO 0.98 0.02 -0.44 0.87 -1.00 0.00 0.00 179.01 179.44 2oeq h LYS 82 N 0.03 -0.83 0.00 2.33 6.56 -1.93 -2.38 116.57 120.35 2oeq h LYS 82 Ca 0.50 0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 60.14 2oeq h LYS 82 Cb 0.92 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2oeq h LYS 82 CO -0.88 -0.55 -0.03 1.25 -2.06 0.00 0.00 179.45 177.18 2oeq h LEU 83 N -0.86 0.00 -0.61 2.94 5.85 -1.59 -2.55 115.31 118.49 2oeq h LEU 83 Ca -0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.53 2oeq h LEU 83 Cb 0.75 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2oeq h LEU 83 CO -0.06 0.03 -0.63 0.00 -0.34 0.00 0.00 178.44 177.43 2oeq h ALA 84 N 1.97 0.85 0.06 1.25 0.00 0.07 -3.10 119.26 120.37 2oeq h ALA 84 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2oeq h ALA 84 Cb 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2oeq h ALA 84 CO 0.00 0.79 -0.43 -0.09 0.00 0.00 0.00 179.25 179.53 2oeq h ARG 85 N 0.00 0.18 0.00 0.00 9.65 -1.08 -1.68 114.38 121.45 2oeq h ARG 85 Ca -0.01 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2oeq h ARG 85 Cb 1.20 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 2oeq h ARG 85 CO 0.08 1.10 0.00 -0.11 2.80 0.00 0.00 179.97 183.84 2oeq n LEU 86 N -4.36 0.00 0.00 3.80 0.00 -0.99 -0.09 117.00 115.36 2oeq n LEU 86 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.89 2oeq n LEU 86 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.06 2oeq n LEU 86 CO 0.42 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.81 2oeq n ALA 88 N 0.03 0.00 0.10 1.96 0.00 -0.63 -0.90 120.51 121.07 2oeq n ALA 88 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2oeq n ALA 88 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2oeq n ALA 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2oeq h LEU 89 N 0.00 0.17 -1.15 0.00 3.38 -0.76 -0.69 115.31 116.26 2oeq h LEU 89 Ca 0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2oeq h LEU 89 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2oeq h LEU 89 CO 0.00 0.80 -0.34 -0.08 0.09 0.00 0.00 178.44 178.90 2oeq h GLU 90 N 0.10 0.15 0.10 1.13 4.22 -1.24 -2.96 114.58 116.08 2oeq h GLU 90 Ca -0.01 -0.06 -0.16 0.00 0.08 0.00 0.00 59.36 59.21 2oeq h GLU 90 Cb 1.21 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2oeq h GLU 90 CO 0.10 0.48 -0.75 0.37 -2.18 0.00 0.00 179.01 177.02 2oeq h GLN 91 N 0.13 0.22 -1.08 1.92 4.15 -1.73 -1.72 115.11 116.99 2oeq h GLN 91 Ca 0.02 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2oeq h GLN 91 Cb 0.67 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2oeq h GLN 91 CO 0.05 1.18 0.00 0.00 -1.93 0.00 0.00 178.83 178.13 2oeq n GLN 92 N -4.20 0.00 0.00 1.69 -0.00 -0.29 -0.83 117.38 113.74 2oeq n GLN 92 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 2oeq n GLN 92 Cb 0.76 -1.25 0.00 0.00 -0.00 0.00 0.00 30.24 29.75 2oeq n GLN 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2oeq n SER 94 N 0.76 0.00 0.08 2.61 2.88 -0.65 -1.13 113.62 118.17 2oeq n SER 94 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2oeq n SER 94 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2oeq n SER 94 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2oeq h ILE 95 N 0.00 0.12 -0.97 2.46 5.03 -1.26 -2.49 117.51 120.40 2oeq h ILE 95 Ca 0.00 0.00 0.23 0.00 -0.12 0.00 0.00 64.86 64.97 2oeq h ILE 95 Cb 0.00 0.12 -0.08 0.00 -3.03 0.00 0.00 36.82 33.83 2oeq h ILE 95 CO 0.00 0.00 0.64 0.74 -0.68 0.00 0.00 178.15 178.85 2oeq h THR 96 N -0.63 0.61 -0.33 -0.27 2.02 -1.36 -0.74 112.91 112.21 2oeq h THR 96 Ca 0.03 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 2oeq h THR 96 Cb 0.68 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2oeq h THR 96 CO -0.30 0.08 -0.30 0.40 0.37 0.00 0.00 175.52 175.77 2oeq h ILE 97 N 0.41 1.29 -0.62 3.11 1.08 -1.71 -1.73 117.51 119.34 2oeq h ILE 97 Ca 0.53 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2oeq h ILE 97 Cb 1.32 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 2oeq h ILE 97 CO -0.23 0.48 0.40 0.00 -0.69 0.00 0.00 178.15 178.11 2oeq h ALA 98 N 0.74 1.53 -0.04 1.87 0.00 -0.80 0.20 119.26 122.76 2oeq h ALA 98 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2oeq h ALA 98 Cb 0.88 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2oeq h ALA 98 CO 0.08 0.43 -0.38 0.93 0.00 0.00 0.00 179.25 180.30 2oeq h GLU 99 N 0.85 0.08 -0.23 0.00 5.08 -0.75 -1.84 114.58 117.76 2oeq h GLU 99 Ca 0.23 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 2oeq h GLU 99 Cb -0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2oeq h GLU 99 CO -0.05 0.45 -0.48 0.28 -1.00 0.00 0.00 179.01 178.21 2oeq h VAL 100 N 0.07 1.30 0.15 3.13 2.07 0.16 -2.05 116.25 121.09 2oeq h VAL 100 Ca 0.01 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.84 2oeq h VAL 100 Cb 0.71 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2oeq h VAL 100 CO 0.05 0.54 -0.16 1.56 0.02 0.00 0.00 177.57 179.58 2oeq h GLN 101 N 0.45 -0.33 -0.51 1.57 4.20 -0.59 -2.73 115.11 117.18 2oeq h GLN 101 Ca 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2oeq h GLN 101 Cb 1.09 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 2oeq h GLN 101 CO 0.11 -0.22 0.27 0.37 -0.67 0.00 0.00 178.83 178.69 2oeq h GLN 102 N -0.34 0.70 0.00 1.46 5.75 -1.28 0.10 115.11 121.50 2oeq h GLN 102 Ca 0.01 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2oeq h GLN 102 Cb 0.33 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 2oeq h GLN 102 CO -0.05 0.52 -0.02 0.82 -2.65 0.00 0.00 178.83 177.45 2oeq h ILE 103 N 0.71 0.08 0.00 2.39 2.04 -1.16 -2.71 117.51 118.85 2oeq h ILE 103 Ca 0.18 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2oeq h ILE 103 Cb 0.03 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2oeq h ILE 103 CO -0.03 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.14 2oeq n ALA 104 N -2.11 2.22 0.00 1.87 0.00 0.35 -4.42 120.51 118.42 2oeq n ALA 104 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2oeq n ALA 104 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2oeq n ALA 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2oeq n LYS 106 N 0.62 0.00 -0.03 0.00 3.00 -1.02 -4.62 118.16 116.11 2oeq n LYS 106 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2oeq n LYS 106 Cb 0.36 -0.03 0.04 0.00 0.00 0.00 0.00 35.03 35.40 2oeq n LYS 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2oeq h PRO 107 N 0.00 0.65 0.27 1.64 0.11 -1.91 -1.89 132.00 130.87 2oeq h PRO 107 Ca 0.00 -0.38 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2oeq h PRO 107 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2oeq h PRO 107 CO 0.00 0.99 -0.13 1.25 -0.21 0.00 0.00 178.00 179.90 2oeq h LEU 108 N 0.51 -0.31 -1.07 2.35 5.85 -1.96 -2.36 115.31 118.32 2oeq h LEU 108 Ca 0.02 -0.22 0.16 0.00 0.84 0.00 0.00 57.88 58.68 2oeq h LEU 108 Cb 1.04 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 2oeq h LEU 108 CO 0.10 0.16 0.62 1.05 -0.34 0.00 0.00 178.44 180.03 2oeq h GLU 109 N -0.90 0.81 -0.44 1.25 4.11 -1.94 -0.43 114.58 117.03 2oeq h GLU 109 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2oeq h GLU 109 Cb 0.51 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2oeq h GLU 109 CO 0.06 0.53 0.28 1.49 0.07 0.00 0.00 179.01 181.45 2oeq h GLU 110 N 0.83 0.58 -0.19 1.06 4.81 -1.35 -1.87 114.58 118.46 2oeq h GLU 110 Ca 0.52 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 2oeq h GLU 110 Cb 0.73 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2oeq h GLU 110 CO -0.30 0.40 -0.04 1.25 -0.73 0.00 0.00 179.01 179.60 2oeq h LEU 111 N 0.59 0.36 -2.52 1.64 5.85 -0.58 -0.30 115.31 120.34 2oeq h LEU 111 Ca 0.16 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2oeq h LEU 111 Cb -0.05 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2oeq h LEU 111 CO -0.03 0.63 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.94 2oeq h HIS 112 N 0.08 0.00 0.00 1.25 2.76 -1.04 -1.78 115.15 116.43 2oeq h HIS 112 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2oeq h HIS 112 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2oeq h HIS 112 CO 0.05 0.02 0.00 0.54 -1.30 0.00 0.00 177.93 177.24 2oeq n ARG 113 N -3.50 0.00 0.11 5.26 1.74 -0.71 -4.72 116.66 114.84 2oeq n ARG 113 Ca -0.03 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 2oeq n ARG 113 Cb 0.11 -0.32 0.44 0.00 -1.02 0.00 0.00 32.46 31.67 2oeq n ARG 113 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2oeq n SER 114 N -1.85 0.45 0.00 0.55 2.88 -0.14 -5.10 113.62 110.41 2oeq n SER 114 Ca 0.00 0.66 0.04 0.00 -1.33 0.00 0.00 58.87 58.24 2oeq n SER 114 Cb 0.00 -0.74 0.26 0.00 -0.75 0.00 0.00 64.21 62.99 2oeq n SER 114 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14