#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imf h GLN 6 N 0.00 0.97 -0.96 -0.99 5.75 -2.02 -0.47 115.11 117.38 1imf h GLN 6 Ca 0.00 -0.44 0.04 0.00 -0.15 0.00 0.00 58.65 58.11 1imf h GLN 6 Cb 0.00 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.47 1imf h GLN 6 CO 0.00 1.11 0.63 1.49 -2.65 0.00 0.00 178.83 179.40 1imf h GLU 7 N 0.81 1.15 0.11 1.69 4.81 -2.04 0.23 114.58 121.34 1imf h GLU 7 Ca 0.10 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1imf h GLU 7 Cb 0.84 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1imf h GLU 7 CO 0.07 0.76 -0.05 0.00 -0.73 0.00 0.00 179.01 179.07 1imf h MET 9 N -0.15 0.15 0.00 0.00 1.85 -0.36 0.89 114.93 117.31 1imf h MET 9 Ca -0.01 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.01 1imf h MET 9 Cb 0.12 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1imf h MET 9 CO 0.02 0.10 -0.28 -0.44 -0.40 0.00 0.00 176.91 175.91 1imf h ASP 10 N 0.16 0.00 0.02 1.39 5.19 -0.41 -0.80 116.42 121.97 1imf h ASP 10 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1imf h ASP 10 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1imf h ASP 10 CO -0.07 0.28 -0.01 0.22 -3.12 0.00 0.00 179.24 176.54 1imf h TYR 11 N 0.00 -0.03 -0.80 4.55 3.20 -0.41 -3.22 116.97 120.27 1imf h TYR 11 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1imf h TYR 11 Cb 0.60 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1imf h TYR 11 CO 0.00 0.39 0.52 0.00 -1.64 0.00 0.00 178.16 177.43 1imf h ALA 12 N 0.50 1.66 -0.28 1.82 0.00 0.44 -0.29 119.26 123.10 1imf h ALA 12 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1imf h ALA 12 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1imf h ALA 12 CO 0.01 0.21 -0.05 0.28 0.00 0.00 0.00 179.25 179.69 1imf h VAL 13 N 0.83 1.20 -0.01 0.00 2.07 -1.25 0.34 116.25 119.43 1imf h VAL 13 Ca 0.35 -0.82 -0.26 0.00 0.82 0.00 0.00 66.70 66.78 1imf h VAL 13 Cb 0.28 1.05 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1imf h VAL 13 CO -0.13 0.27 -1.02 0.74 0.02 0.00 0.00 177.57 177.46 1imf h THR 14 N 0.42 1.28 -0.68 2.57 2.02 -1.12 -2.04 112.91 115.36 1imf h THR 14 Ca 0.09 -2.22 -0.06 0.00 0.77 0.00 0.00 66.41 64.99 1imf h THR 14 Cb 0.37 2.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 1imf h THR 14 CO 0.02 0.69 0.18 0.25 0.37 0.00 0.00 175.52 177.03 1imf h LEU 15 N 0.41 0.99 -0.35 2.58 5.85 -0.78 -2.28 115.31 121.73 1imf h LEU 15 Ca -0.12 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1imf h LEU 15 Cb 1.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1imf h LEU 15 CO 0.20 0.94 0.18 0.00 -0.34 0.00 0.00 178.44 179.42 1imf h ALA 16 N 1.18 0.45 -0.16 1.25 0.00 -0.25 -2.07 119.26 119.66 1imf h ALA 16 Ca 0.22 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1imf h ALA 16 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1imf h ALA 16 CO -0.00 -0.00 -0.01 -0.09 0.00 0.00 0.00 179.25 179.15 1imf h ARG 17 N 0.43 0.04 -0.51 0.00 9.65 -1.24 0.12 114.38 122.87 1imf h ARG 17 Ca 0.12 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1imf h ARG 17 Cb 0.10 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1imf h ARG 17 CO -0.02 0.03 0.32 1.96 2.80 0.00 0.00 179.97 185.05 1imf h GLN 18 N 0.04 0.61 -0.44 0.20 4.20 -1.39 -0.35 115.11 117.99 1imf h GLN 18 Ca 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1imf h GLN 18 Cb 0.10 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1imf h GLN 18 CO -0.14 0.41 0.19 0.00 -0.67 0.00 0.00 178.83 178.61 1imf h ALA 19 N 1.21 0.57 -0.66 3.87 0.00 -1.21 -2.59 119.26 120.45 1imf h ALA 19 Ca 0.20 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1imf h ALA 19 Cb -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 1imf h ALA 19 CO -0.08 0.16 0.05 0.78 0.00 0.00 0.00 179.25 180.17 1imf h GLY 20 N 0.56 0.77 1.17 0.00 0.00 -0.27 -1.58 103.07 103.72 1imf h GLY 20 Ca 0.15 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1imf h GLY 20 CO -0.01 -0.20 0.22 0.83 0.00 0.00 0.00 176.54 177.37 1imf h GLU 21 N 0.16 1.04 -0.71 4.80 5.08 -0.70 0.69 114.58 124.96 1imf h GLU 21 Ca 0.35 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1imf h GLU 21 Cb 0.59 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1imf h GLU 21 CO -0.53 0.89 0.16 0.28 -1.00 0.00 0.00 179.01 178.81 1imf h VAL 22 N 1.01 1.26 -0.44 3.13 2.07 -1.00 0.49 116.25 122.78 1imf h VAL 22 Ca 0.22 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1imf h VAL 22 Cb 0.27 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1imf h VAL 22 CO -0.01 0.38 -0.02 0.58 0.02 0.00 0.00 177.57 178.51 1imf h VAL 23 N 1.07 1.26 0.02 2.57 2.07 -0.69 -1.43 116.25 121.13 1imf h VAL 23 Ca 0.22 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1imf h VAL 23 Cb 0.38 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1imf h VAL 23 CO 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 177.57 177.95 1imf h GLU 25 N -0.42 -0.38 0.00 0.00 4.81 -0.93 0.11 114.58 117.78 1imf h GLU 25 Ca -0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1imf h GLU 25 Cb 0.40 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1imf h GLU 25 CO 0.00 -0.25 -0.05 0.00 -0.73 0.00 0.00 179.01 177.98 1imf h ALA 26 N 0.44 1.82 -0.10 2.92 0.00 -1.23 -1.12 119.26 121.99 1imf h ALA 26 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1imf h ALA 26 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1imf h ALA 26 CO -0.23 0.06 -0.37 0.82 0.00 0.00 0.00 179.25 179.53 1imf h ILE 27 N 0.00 1.29 -0.47 0.00 2.04 0.12 -2.67 117.51 117.82 1imf h ILE 27 Ca -0.00 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1imf h ILE 27 Cb 0.10 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1imf h ILE 27 CO 0.01 0.42 0.25 0.11 0.00 0.00 0.00 178.15 178.93 1imf h LYS 28 N 0.18 0.66 0.00 2.37 6.56 -0.51 -3.50 116.57 122.33 1imf h LYS 28 Ca 0.02 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1imf h LYS 28 Cb 0.74 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1imf h LYS 28 CO 0.06 0.53 0.00 0.09 -2.06 0.00 0.00 179.45 178.07 1imf n ASN 29 N -4.66 0.00 0.00 0.86 3.02 -1.01 -5.14 115.26 108.33 1imf n ASN 29 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1imf n ASN 29 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1imf n ASN 29 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1imf n GLU 30 N 1.50 0.00 0.00 3.52 0.00 -1.26 -4.90 120.64 119.50 1imf n GLU 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1imf n GLU 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1imf n GLU 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1imf n VAL 40 N 0.00 0.00 -2.36 6.31 3.14 -1.26 -5.69 118.33 118.47 1imf n VAL 40 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1imf n VAL 40 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 1imf n VAL 40 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1imf s ASP 41 N 0.00 5.52 0.41 6.55 -4.77 -1.26 -4.84 116.67 118.27 1imf s ASP 41 Ca 0.00 0.70 0.09 0.00 -3.30 0.00 0.00 52.55 50.04 1imf s ASP 41 Cb 0.00 -1.66 0.88 0.00 -1.09 0.00 0.00 42.92 41.05 1imf s ASP 41 CO 0.00 -1.12 2.02 0.25 0.70 0.00 0.00 175.17 177.02 1imf h LEU 42 N -0.23 0.49 -0.28 2.11 5.85 -2.01 -0.64 115.31 120.60 1imf h LEU 42 Ca -0.45 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.07 1imf h LEU 42 Cb 1.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1imf h LEU 42 CO 0.61 0.33 -0.59 1.62 -0.34 0.00 0.00 178.44 180.07 1imf h VAL 43 N 0.57 1.27 -0.38 1.05 3.04 -1.97 -1.59 116.25 118.24 1imf h VAL 43 Ca 0.22 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 64.12 1imf h VAL 43 Cb 0.16 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 1imf h VAL 43 CO -0.06 0.58 0.15 0.74 -1.01 0.00 0.00 177.57 177.97 1imf h THR 44 N 0.65 1.19 -0.20 3.17 2.02 -1.84 0.13 112.91 118.04 1imf h THR 44 Ca 0.00 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1imf h THR 44 Cb 1.20 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1imf h THR 44 CO 0.13 0.21 0.04 0.00 0.37 0.00 0.00 175.52 176.26 1imf h ALA 45 N 1.00 0.20 -0.19 6.16 0.00 -1.10 -0.96 119.26 124.37 1imf h ALA 45 Ca 0.13 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1imf h ALA 45 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1imf h ALA 45 CO -0.01 -0.40 -0.40 1.15 0.00 0.00 0.00 179.25 179.59 1imf h THR 46 N 0.11 1.30 -0.49 0.00 2.02 -1.19 -2.36 112.91 112.30 1imf h THR 46 Ca 0.09 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 65.64 1imf h THR 46 Cb 0.09 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1imf h THR 46 CO -0.12 0.48 -0.02 -0.78 0.37 0.00 0.00 175.52 175.45 1imf h ASP 47 N 0.36 0.86 -0.61 4.18 1.82 -0.29 -2.02 116.42 120.72 1imf h ASP 47 Ca 0.03 -0.32 -0.06 0.00 -0.39 0.00 0.00 57.03 56.30 1imf h ASP 47 Cb 0.87 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.61 1imf h ASP 47 CO 0.07 0.97 0.16 1.56 -1.61 0.00 0.00 179.24 180.40 1imf h GLN 48 N 0.74 1.00 -0.55 0.28 4.20 -0.97 -2.06 115.11 117.74 1imf h GLN 48 Ca 0.14 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 1imf h GLN 48 Cb 0.54 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1imf h GLN 48 CO 0.03 0.88 -0.09 0.87 -0.67 0.00 0.00 178.83 179.85 1imf h LYS 49 N 0.95 1.03 0.08 1.46 1.57 -1.32 -1.96 116.57 118.38 1imf h LYS 49 Ca 0.20 -0.37 -0.26 0.00 -1.87 0.00 0.00 60.65 58.35 1imf h LYS 49 Cb 0.33 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1imf h LYS 49 CO -0.00 1.06 -1.13 0.28 -0.57 0.00 0.00 179.45 179.08 1imf h VAL 50 N 0.92 1.39 0.00 0.50 2.07 -1.14 -1.09 116.25 118.91 1imf h VAL 50 Ca 0.15 -2.64 -0.15 0.00 0.82 0.00 0.00 66.70 64.89 1imf h VAL 50 Cb 0.66 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1imf h VAL 50 CO 0.05 0.79 -0.69 1.05 0.02 0.00 0.00 177.57 178.78 1imf h GLU 51 N 0.20 0.00 0.08 1.57 4.11 -1.31 0.32 114.58 119.55 1imf h GLU 51 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 1imf h GLU 51 Cb 1.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 1imf h GLU 51 CO 0.20 0.69 -0.04 -0.22 0.07 0.00 0.00 179.01 179.71 1imf h LYS 52 N 0.00 -0.11 -0.58 1.06 3.64 -1.39 0.61 116.57 119.80 1imf h LYS 52 Ca -0.01 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1imf h LYS 52 Cb 1.33 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 1imf h LYS 52 CO 0.09 -0.08 0.16 1.98 -2.27 0.00 0.00 179.45 179.34 1imf h MET 53 N -0.12 0.30 -0.09 1.90 4.05 -0.48 -1.93 114.93 118.56 1imf h MET 53 Ca -0.01 -0.02 -0.21 0.00 -0.28 0.00 0.00 59.70 59.19 1imf h MET 53 Cb 0.10 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1imf h MET 53 CO 0.01 0.20 -0.78 -0.07 0.23 0.00 0.00 176.91 176.50 1imf h LEU 54 N 0.31 0.66 0.03 3.39 3.38 0.17 -2.49 115.31 120.76 1imf h LEU 54 Ca 0.30 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1imf h LEU 54 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1imf h LEU 54 CO -0.35 1.22 -0.18 0.40 0.09 0.00 0.00 178.44 179.62 1imf h ILE 55 N 0.37 1.73 0.00 1.22 2.04 0.71 -2.91 117.51 120.67 1imf h ILE 55 Ca -0.05 -2.39 -0.11 0.00 1.00 0.00 0.00 64.86 63.31 1imf h ILE 55 Cb 1.39 3.35 -0.02 0.00 -0.74 0.00 0.00 36.82 40.80 1imf h ILE 55 CO 0.14 0.63 -0.54 0.77 0.00 0.00 0.00 178.15 179.15 1imf h SER 56 N -0.86 0.00 0.09 1.72 4.64 -1.49 -0.38 113.55 117.28 1imf h SER 56 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1imf h SER 56 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1imf h SER 56 CO 0.03 0.54 -0.07 0.28 -0.87 0.00 0.00 176.83 176.75 1imf h SER 57 N 0.00 0.00 0.59 4.97 0.02 -1.51 -2.37 113.55 115.25 1imf h SER 57 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 1imf h SER 57 Cb 0.96 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1imf h SER 57 CO 0.07 0.07 -1.42 0.40 -1.14 0.00 0.00 176.83 174.81 1imf h ILE 58 N 0.00 1.26 -0.27 3.27 2.04 -1.03 -3.19 117.51 119.59 1imf h ILE 58 Ca -0.00 -2.94 -0.09 0.00 1.00 0.00 0.00 64.86 62.83 1imf h ILE 58 Cb 0.13 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1imf h ILE 58 CO 0.01 0.81 -0.21 0.11 0.00 0.00 0.00 178.15 178.87 1imf h LYS 59 N 0.04 0.50 -0.09 2.37 1.79 -0.77 0.20 116.57 120.61 1imf h LYS 59 Ca -0.19 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 1imf h LYS 59 Cb 1.96 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.57 1imf h LYS 59 CO 0.15 0.68 -0.16 0.93 -1.08 0.00 0.00 179.45 179.97 1imf h GLU 60 N 0.45 0.27 0.00 3.15 3.07 -1.56 -2.42 114.58 117.54 1imf h GLU 60 Ca 0.07 -0.17 -0.16 0.00 -0.50 0.00 0.00 59.36 58.61 1imf h GLU 60 Cb 0.62 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1imf h GLU 60 CO 0.04 0.74 -0.94 -0.22 -1.40 0.00 0.00 179.01 177.24 1imf h LYS 61 N -0.18 0.00 -1.70 2.33 3.64 -1.53 -3.39 116.57 115.73 1imf h LYS 61 Ca 0.01 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.90 1imf h LYS 61 Cb 0.73 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.14 1imf h LYS 61 CO 0.04 0.55 -1.01 0.66 -2.27 0.00 0.00 179.45 177.42 1imf n TYR 62 N -3.15 1.79 0.12 1.91 4.01 0.68 -4.94 117.16 117.58 1imf n TYR 62 Ca -0.03 -3.45 0.07 0.00 -0.16 0.00 0.00 57.90 54.33 1imf n TYR 62 Cb 0.83 -0.37 0.39 0.00 -0.31 0.00 0.00 39.34 39.88 1imf n TYR 62 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1imf n PRO 63 N -0.05 0.09 0.08 -0.72 -0.04 -0.91 -0.71 135.00 132.74 1imf n PRO 63 Ca 0.24 0.57 -0.06 0.00 -0.04 0.00 0.00 63.50 64.22 1imf n PRO 63 Cb 0.65 -1.89 0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1imf n PRO 63 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1imf h SER 64 N 0.00 0.30 -3.90 3.54 0.87 -1.92 -3.48 113.55 108.96 1imf h SER 64 Ca 0.00 -0.17 -0.47 0.00 -1.23 0.00 0.00 61.79 59.92 1imf h SER 64 Cb 0.17 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1imf h SER 64 CO 0.00 0.84 0.34 -1.00 -0.53 0.00 0.00 176.83 176.48 1imf s HIS 65 N -3.75 3.63 0.72 2.24 3.76 0.11 -4.90 115.29 117.09 1imf s HIS 65 Ca -0.04 1.74 -0.05 0.00 -0.15 0.00 0.00 55.06 56.56 1imf s HIS 65 Cb 0.12 -2.90 0.09 0.00 1.11 0.00 0.00 32.58 31.00 1imf s HIS 65 CO 0.80 0.16 1.01 -1.12 -0.85 0.00 0.00 174.74 174.75 1imf s SER 66 N -1.71 4.55 -0.15 1.40 0.01 0.16 -4.96 113.70 113.02 1imf s SER 66 Ca 0.52 0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.87 1imf s SER 66 Cb -0.17 -0.70 0.06 0.00 0.21 0.00 0.00 66.02 65.42 1imf s SER 66 CO 0.22 -1.74 0.33 0.72 0.41 0.00 0.00 173.24 173.19 1imf s PHE 67 N -3.23 -0.51 -0.07 2.43 -0.12 -1.26 -1.57 117.98 113.65 1imf s PHE 67 Ca 0.63 1.11 -0.03 0.00 -0.05 0.00 0.00 56.93 58.59 1imf s PHE 67 Cb -0.08 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1imf s PHE 67 CO 0.45 -0.33 0.07 0.42 -0.05 0.00 0.00 175.22 175.77 1imf s ILE 68 N 1.70 4.79 0.00 -4.49 1.01 -0.24 -4.86 121.20 119.12 1imf s ILE 68 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1imf s ILE 68 Cb -0.10 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1imf s ILE 68 CO -0.11 0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1imf n GLY 69 N 1.75 1.32 0.08 6.18 0.00 -1.26 -2.33 105.19 110.93 1imf n GLY 69 Ca -0.17 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1imf n GLY 69 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1imf h GLU 70 N 0.00 0.10 0.13 1.61 4.81 -1.98 -3.04 114.58 116.20 1imf h GLU 70 Ca 0.00 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1imf h GLU 70 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1imf h GLU 70 CO 0.00 1.04 -0.06 1.49 -0.73 0.00 0.00 179.01 180.75 1imf h GLU 71 N 0.03 -0.17 -0.56 1.92 4.22 -1.97 0.68 114.58 118.74 1imf h GLU 71 Ca -0.05 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1imf h GLU 71 Cb 1.77 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 1imf h GLU 71 CO 0.15 -0.11 0.27 0.66 -2.18 0.00 0.00 179.01 177.80 1imf h SER 72 N -0.17 0.71 -0.07 1.04 4.64 -1.89 -0.27 113.55 117.53 1imf h SER 72 Ca -0.02 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1imf h SER 72 Cb 0.14 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1imf h SER 72 CO 0.03 0.60 -0.08 0.58 -0.87 0.00 0.00 176.83 177.09 1imf h VAL 73 N 0.79 1.38 0.00 0.95 2.07 -1.32 -1.40 116.25 118.72 1imf h VAL 73 Ca 0.20 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1imf h VAL 73 Cb 0.09 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1imf h VAL 73 CO -0.03 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 177.86 1imf h ALA 74 N 0.54 1.37 -0.24 1.67 0.00 -0.51 0.06 119.26 122.15 1imf h ALA 74 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1imf h ALA 74 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1imf h ALA 74 CO 0.02 0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.42 1imf n ALA 75 N -2.28 3.17 -0.83 0.00 0.00 -0.15 -4.87 120.51 115.55 1imf n ALA 75 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1imf n ALA 75 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1imf n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1imf n GLY 76 N 0.11 1.30 3.85 0.00 0.00 0.01 -5.03 105.19 105.43 1imf n GLY 76 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1imf n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1imf s GLU 77 N -0.01 4.02 0.03 1.61 0.41 -0.54 -5.00 118.70 119.22 1imf s GLU 77 Ca 0.00 0.70 -0.16 0.00 -0.41 0.00 0.00 54.97 55.10 1imf s GLU 77 Cb 0.00 -2.43 -0.06 0.00 -1.78 0.00 0.00 34.13 29.86 1imf s GLU 77 CO 0.00 0.15 0.47 -1.59 -0.49 0.00 0.00 175.26 173.80 1imf s LYS 78 N -2.97 4.02 -0.67 1.61 -2.85 -1.26 -4.07 119.74 113.55 1imf s LYS 78 Ca 0.54 0.53 -0.26 0.00 -1.00 0.00 0.00 55.97 55.79 1imf s LYS 78 Cb -0.10 -3.22 0.04 0.00 -2.06 0.00 0.00 37.83 32.49 1imf s LYS 78 CO 0.17 0.67 1.14 0.45 0.10 0.00 0.00 175.35 177.88 1imf s SER 79 N -1.10 6.23 -0.06 0.03 0.15 -1.23 -4.85 113.70 112.88 1imf s SER 79 Ca 0.26 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 1imf s SER 79 Cb -0.18 -2.50 0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1imf s SER 79 CO 0.16 -1.60 0.10 -0.63 1.20 0.00 0.00 173.24 172.47 1imf s ILE 80 N 4.93 -0.13 -0.17 6.45 -1.09 -1.26 -4.10 121.20 125.82 1imf s ILE 80 Ca 0.32 0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.89 1imf s ILE 80 Cb -0.11 -0.20 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 1imf s ILE 80 CO 0.16 0.13 0.36 -0.22 -1.23 0.00 0.00 174.94 174.14 1imf s LEU 81 N 1.72 4.20 0.00 2.97 2.96 -1.26 -5.07 118.68 124.21 1imf s LEU 81 Ca -0.02 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1imf s LEU 81 Cb -0.12 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1imf s LEU 81 CO -0.05 0.00 0.03 0.35 -1.32 0.00 0.00 176.35 175.36 1imf n THR 82 N 3.96 0.00 0.90 3.68 -2.24 -1.26 -4.88 114.28 114.43 1imf n THR 82 Ca -0.10 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1imf n THR 82 Cb 0.51 -0.57 0.56 0.00 -2.10 0.00 0.00 70.33 68.74 1imf n THR 82 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1imf n ASP 83 N -2.18 0.16 -4.82 3.42 8.00 -1.26 -3.65 116.55 116.22 1imf n ASP 83 Ca 0.00 0.52 -0.34 0.00 0.71 0.00 0.00 54.79 55.68 1imf n ASP 83 Cb 0.03 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.51 1imf n ASP 83 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1imf s ASN 84 N -3.29 6.95 -0.33 -2.24 2.47 -1.26 -1.72 114.94 115.51 1imf s ASN 84 Ca 0.13 1.57 -0.35 0.00 0.42 0.00 0.00 52.86 54.63 1imf s ASN 84 Cb 0.17 -2.49 -0.11 0.00 -1.45 0.00 0.00 41.25 37.37 1imf s ASN 84 CO 0.53 -0.25 2.19 -2.65 -3.72 0.00 0.00 177.10 173.20 1imf n PRO 85 N -0.30 1.15 -4.49 0.43 -0.02 -1.26 -4.70 135.00 125.81 1imf n PRO 85 Ca 0.05 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 1imf n PRO 85 Cb 0.53 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 1imf n PRO 85 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1imf s THR 86 N 7.34 3.89 -0.24 3.45 2.01 -0.84 0.40 115.64 131.65 1imf s THR 86 Ca 1.09 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 1imf s THR 86 Cb -0.82 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1imf s THR 86 CO 0.48 0.56 0.15 0.26 -0.69 0.00 0.00 174.62 175.38 1imf s TRP 87 N -0.32 3.29 -0.38 4.92 0.52 -0.61 -0.74 118.94 125.63 1imf s TRP 87 Ca 0.05 0.18 -0.03 0.00 0.02 0.00 0.00 56.10 56.31 1imf s TRP 87 Cb -0.12 -2.27 0.09 0.00 -1.15 0.00 0.00 33.47 30.01 1imf s TRP 87 CO 0.02 0.03 0.15 0.42 0.02 0.00 0.00 176.95 177.59 1imf s ILE 88 N 1.11 3.34 -0.11 2.03 1.01 0.79 -1.08 121.20 128.29 1imf s ILE 88 Ca 0.07 -1.74 -0.11 0.00 0.00 0.00 0.00 60.65 58.87 1imf s ILE 88 Cb -0.14 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1imf s ILE 88 CO 0.05 -0.48 0.25 -0.51 0.00 0.00 0.00 174.94 174.24 1imf s ILE 89 N 1.22 5.32 -0.28 2.92 1.10 -0.98 -1.00 121.20 129.50 1imf s ILE 89 Ca 0.03 0.45 -0.01 0.00 -0.51 0.00 0.00 60.65 60.62 1imf s ILE 89 Cb -0.22 -3.55 0.09 0.00 0.15 0.00 0.00 42.46 38.93 1imf s ILE 89 CO -0.02 0.53 0.06 -0.62 -2.11 0.00 0.00 174.94 172.78 1imf s ASP 90 N -0.49 3.85 0.08 4.50 -1.08 0.52 -4.65 116.67 119.40 1imf s ASP 90 Ca 0.17 -1.46 -0.23 0.00 -0.52 0.00 0.00 52.55 50.51 1imf s ASP 90 Cb -0.13 -0.91 -0.14 0.00 -1.46 0.00 0.00 42.92 40.27 1imf s ASP 90 CO 0.06 -0.37 1.67 -0.65 0.52 0.00 0.00 175.17 176.40 1imf h PRO 91 N 8.06 0.07 -3.80 4.34 0.11 -1.90 -0.16 132.00 138.71 1imf h PRO 91 Ca -0.14 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.42 1imf h PRO 91 Cb 1.04 -0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.75 1imf h PRO 91 CO 0.44 0.13 -0.77 0.42 -0.21 0.00 0.00 178.00 178.01 1imf s ILE 92 N -5.86 0.83 -0.35 4.15 1.01 -1.26 -4.44 121.20 115.27 1imf s ILE 92 Ca -0.13 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1imf s ILE 92 Cb 0.06 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1imf s ILE 92 CO 0.67 -0.15 0.39 -0.62 0.00 0.00 0.00 174.94 175.23 1imf s ASP 93 N 1.72 6.21 0.00 3.58 2.15 0.33 -4.55 116.67 126.10 1imf s ASP 93 Ca -0.02 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1imf s ASP 93 Cb -0.17 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1imf s ASP 93 CO -0.07 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1imf n GLY 94 N 4.94 0.93 0.32 2.66 0.00 -1.26 -1.85 105.19 110.92 1imf n GLY 94 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1imf n GLY 94 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1imf h THR 95 N 0.00 0.42 -0.50 2.61 2.02 -1.87 -0.18 112.91 115.42 1imf h THR 95 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1imf h THR 95 Cb 0.00 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1imf h THR 95 CO 0.00 0.00 0.33 0.74 0.37 0.00 0.00 175.52 176.96 1imf h THR 96 N -0.69 1.09 -0.06 3.16 2.02 -1.97 0.40 112.91 116.86 1imf h THR 96 Ca -0.05 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1imf h THR 96 Cb 0.57 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1imf h THR 96 CO 0.04 0.11 0.02 0.78 0.37 0.00 0.00 175.52 176.84 1imf h ASN 97 N 0.61 0.08 -0.38 4.18 4.21 -1.83 -2.36 115.58 120.10 1imf h ASN 97 Ca 0.19 -0.17 0.08 0.00 1.21 0.00 0.00 56.30 57.61 1imf h ASN 97 Cb 0.02 -0.02 -0.09 0.00 -1.12 0.00 0.00 38.32 37.11 1imf h ASN 97 CO -0.05 0.22 -0.33 0.15 -1.29 0.00 0.00 177.43 176.14 1imf h PHE 98 N -0.08 -0.91 -0.44 1.19 3.04 0.94 -0.33 116.94 120.35 1imf h PHE 98 Ca 0.02 0.06 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1imf h PHE 98 Cb 0.17 0.45 -0.05 0.00 2.56 0.00 0.00 35.95 39.09 1imf h PHE 98 CO -0.02 -0.38 0.17 0.28 -2.02 0.00 0.00 178.31 176.34 1imf h VAL 99 N -0.27 0.87 0.00 1.41 2.07 -1.22 -2.35 116.25 116.77 1imf h VAL 99 Ca 0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1imf h VAL 99 Cb 0.54 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1imf h VAL 99 CO -0.52 0.06 0.00 1.41 0.02 0.00 0.00 177.57 178.54 1imf n HIS 100 N -4.99 0.00 -1.86 1.57 8.25 -0.63 -4.88 115.22 112.66 1imf n HIS 100 Ca 0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.30 1imf n HIS 100 Cb 0.16 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 1imf n HIS 100 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1imf n ARG 101 N -1.33 -1.40 -2.15 -0.41 1.74 -0.24 -4.94 116.66 107.92 1imf n ARG 101 Ca 0.12 1.08 -0.42 0.00 -0.77 0.00 0.00 57.85 57.86 1imf n ARG 101 Cb 0.25 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.18 1imf n ARG 101 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1imf s PHE 102 N -2.80 2.66 -0.47 -1.55 5.36 -0.57 -4.84 117.98 115.76 1imf s PHE 102 Ca 0.00 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 1imf s PHE 102 Cb 0.00 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 1imf s PHE 102 CO 0.00 -2.85 0.09 -0.35 -1.46 0.00 0.00 175.22 170.65 1imf n PRO 103 N 5.70 0.11 -3.69 10.12 -0.04 -1.26 -4.56 135.00 141.39 1imf n PRO 103 Ca 0.14 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 1imf n PRO 103 Cb 0.43 -1.26 -0.16 0.00 -0.04 0.00 0.00 33.50 32.47 1imf n PRO 103 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1imf s PHE 104 N 0.00 1.06 0.06 0.54 0.40 -1.26 -4.46 117.98 114.32 1imf s PHE 104 Ca 0.00 -1.11 0.05 0.00 -0.60 0.00 0.00 56.93 55.28 1imf s PHE 104 Cb 0.00 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 1imf s PHE 104 CO 0.00 -0.73 -0.14 0.14 0.70 0.00 0.00 175.22 175.19 1imf s VAL 105 N 1.85 1.11 0.05 -0.44 -7.23 -1.26 -4.78 120.40 109.70 1imf s VAL 105 Ca 0.04 -1.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1imf s VAL 105 Cb -0.17 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.69 1imf s VAL 105 CO -0.19 -0.18 -0.17 0.00 -0.31 0.00 0.00 175.10 174.26 1imf s ALA 106 N -1.18 1.39 -0.15 1.32 0.00 -0.77 -1.91 121.76 120.45 1imf s ALA 106 Ca -0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1imf s ALA 106 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1imf s ALA 106 CO 0.02 0.27 0.15 0.08 0.00 0.00 0.00 175.76 176.28 1imf s VAL 107 N -0.92 5.45 -0.00 0.00 1.01 0.11 -0.51 120.40 125.53 1imf s VAL 107 Ca 0.03 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1imf s VAL 107 Cb -0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1imf s VAL 107 CO 0.02 0.54 -0.17 -0.55 0.00 0.00 0.00 175.10 174.94 1imf s SER 108 N -0.45 1.96 -0.12 3.32 0.15 -0.07 -1.30 113.70 117.19 1imf s SER 108 Ca 0.13 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 1imf s SER 108 Cb -0.12 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.05 1imf s SER 108 CO 0.02 0.18 0.25 -0.63 1.20 0.00 0.00 173.24 174.26 1imf s ILE 109 N -0.46 -0.37 0.04 6.45 1.01 -0.89 -0.36 121.20 126.62 1imf s ILE 109 Ca 0.06 0.28 0.08 0.00 0.00 0.00 0.00 60.65 61.08 1imf s ILE 109 Cb -0.07 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1imf s ILE 109 CO -0.00 0.12 -0.24 -0.83 0.00 0.00 0.00 174.94 173.99 1imf s GLY 110 N 2.32 1.26 -0.08 6.18 0.00 -0.17 -0.73 107.32 116.10 1imf s GLY 110 Ca 0.01 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.58 1imf s GLY 110 CO -0.08 -1.05 -0.09 -0.12 0.00 0.00 0.00 173.10 171.76 1imf s PHE 111 N -0.77 1.33 -0.06 1.90 5.36 -0.05 -0.15 117.98 125.54 1imf s PHE 111 Ca 0.10 -0.56 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 1imf s PHE 111 Cb -0.09 -1.07 -0.02 0.00 -0.34 0.00 0.00 43.02 41.50 1imf s PHE 111 CO 0.02 -0.37 -0.18 0.00 -1.46 0.00 0.00 175.22 173.23 1imf s ALA 112 N 1.21 2.48 0.03 11.12 0.00 0.08 0.25 121.76 136.94 1imf s ALA 112 Ca -0.05 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1imf s ALA 112 Cb -0.14 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1imf s ALA 112 CO -0.02 0.47 -0.22 0.14 0.00 0.00 0.00 175.76 176.13 1imf s VAL 113 N -0.42 1.75 -1.59 0.00 -7.23 -0.73 -1.99 120.40 110.20 1imf s VAL 113 Ca 0.05 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.91 1imf s VAL 113 Cb -0.12 -1.50 0.11 0.00 0.56 0.00 0.00 36.38 35.43 1imf s VAL 113 CO 0.02 0.30 0.87 0.59 -0.31 0.00 0.00 175.10 176.57 1imf n ASN 114 N 2.01 -3.86 -0.58 4.85 5.03 -0.70 -1.25 115.26 120.76 1imf n ASN 114 Ca -0.17 -0.88 -0.08 0.00 0.87 0.00 0.00 54.58 54.32 1imf n ASN 114 Cb 0.53 -3.40 -0.03 0.00 -1.02 0.00 0.00 39.78 35.85 1imf n ASN 114 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1imf n LYS 115 N -4.54 -1.62 -5.07 3.52 5.02 -1.24 -4.94 118.16 109.29 1imf n LYS 115 Ca 0.02 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.73 1imf n LYS 115 Cb 0.53 -5.08 -0.15 0.00 -0.02 0.00 0.00 35.03 30.31 1imf n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1imf s LYS 116 N -2.53 2.51 0.20 1.97 -0.14 -0.38 -5.09 119.74 116.28 1imf s LYS 116 Ca 0.00 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 1imf s LYS 116 Cb 0.00 -2.27 -0.09 0.00 -1.68 0.00 0.00 37.83 33.79 1imf s LYS 116 CO 0.00 0.51 1.38 0.42 -0.76 0.00 0.00 175.35 176.89 1imf s ILE 117 N -0.45 3.02 -0.23 2.17 -1.09 -1.26 -1.77 121.20 121.59 1imf s ILE 117 Ca 0.05 0.82 0.02 0.00 -2.23 0.00 0.00 60.65 59.31 1imf s ILE 117 Cb -0.12 -3.52 -0.15 0.00 -1.58 0.00 0.00 42.46 37.09 1imf s ILE 117 CO 0.01 0.11 -0.19 1.21 -1.23 0.00 0.00 174.94 174.86 1imf n GLU 118 N 2.82 0.60 -3.87 2.79 4.07 0.14 -4.81 120.64 122.38 1imf n GLU 118 Ca 0.08 0.13 -0.09 0.00 -0.06 0.00 0.00 57.16 57.21 1imf n GLU 118 Cb 0.42 -1.46 -0.06 0.00 -0.06 0.00 0.00 31.44 30.28 1imf n GLU 118 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1imf s PHE 119 N -2.46 0.19 0.00 4.31 -0.12 -1.18 -1.50 117.98 117.22 1imf s PHE 119 Ca -0.30 -0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 56.00 1imf s PHE 119 Cb 0.08 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1imf s PHE 119 CO 0.54 -0.72 0.03 0.20 -0.05 0.00 0.00 175.22 175.21 1imf s GLY 120 N -2.91 0.09 -0.05 1.99 0.00 -1.08 -0.87 107.32 104.48 1imf s GLY 120 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1imf s GLY 120 CO -0.04 -0.26 0.04 0.14 0.00 0.00 0.00 173.10 172.98 1imf s VAL 121 N -0.80 0.03 -0.14 1.40 1.01 0.09 -2.45 120.40 119.54 1imf s VAL 121 Ca -0.09 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1imf s VAL 121 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1imf s VAL 121 CO -0.00 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 1imf s VAL 122 N 2.05 1.72 -0.19 2.92 1.01 0.17 -2.10 120.40 125.97 1imf s VAL 122 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1imf s VAL 122 Cb -0.12 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1imf s VAL 122 CO -0.04 0.48 -0.17 -0.47 0.00 0.00 0.00 175.10 174.91 1imf s TYR 123 N 1.19 2.84 -0.86 5.22 5.04 -0.42 -1.55 117.35 128.82 1imf s TYR 123 Ca -0.01 -1.59 -0.19 0.00 -2.44 0.00 0.00 57.07 52.84 1imf s TYR 123 Cb -0.14 -1.95 0.12 0.00 0.35 0.00 0.00 41.96 40.34 1imf s TYR 123 CO -0.07 -0.78 1.06 0.45 -1.34 0.00 0.00 175.55 174.88 1imf s SER 124 N 1.31 6.53 0.00 4.32 0.15 -0.11 0.06 113.70 125.97 1imf s SER 124 Ca 0.04 -1.86 -0.01 0.00 0.70 0.00 0.00 55.95 54.82 1imf s SER 124 Cb -0.14 -2.39 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1imf s SER 124 CO -0.11 -1.11 1.01 0.00 1.20 0.00 0.00 173.24 174.23 1imf h VAL 126 N -0.00 1.15 0.00 0.00 2.07 -1.84 0.43 116.25 118.07 1imf h VAL 126 Ca 0.00 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1imf h VAL 126 Cb 0.01 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1imf h VAL 126 CO -0.02 0.21 -0.15 -0.33 0.02 0.00 0.00 177.57 177.30 1imf h GLU 127 N 0.29 0.00 -1.31 1.57 5.08 -1.70 -3.48 114.58 115.03 1imf h GLU 127 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1imf h GLU 127 Cb 0.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1imf h GLU 127 CO 0.01 0.15 -0.16 0.41 -1.00 0.00 0.00 179.01 178.42 1imf n GLY 128 N 0.90 0.27 3.39 -3.84 0.00 0.14 -5.03 105.19 101.02 1imf n GLY 128 Ca 0.03 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1imf n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1imf s LYS 129 N -4.64 3.07 -0.33 1.61 1.02 -0.90 -4.99 119.74 114.58 1imf s LYS 129 Ca 0.05 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 1imf s LYS 129 Cb -0.02 -2.52 0.08 0.00 -0.52 0.00 0.00 37.83 34.85 1imf s LYS 129 CO 0.07 0.34 0.05 1.41 -0.92 0.00 0.00 175.35 176.30 1imf s MET 130 N 0.00 2.09 -0.16 1.68 -2.45 -1.26 -0.93 119.30 118.27 1imf s MET 130 Ca -0.04 -1.56 -0.14 0.00 -1.25 0.00 0.00 55.69 52.69 1imf s MET 130 Cb -0.14 -3.26 -0.05 0.00 1.25 0.00 0.00 34.83 32.63 1imf s MET 130 CO 0.04 -0.81 0.32 0.71 1.05 0.00 0.00 175.02 176.33 1imf s TYR 131 N 1.13 3.45 0.15 4.11 1.51 -0.59 -1.06 117.35 126.05 1imf s TYR 131 Ca 0.01 0.62 0.02 0.00 -1.01 0.00 0.00 57.07 56.71 1imf s TYR 131 Cb -0.20 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1imf s TYR 131 CO -0.04 0.20 -0.04 0.95 -1.11 0.00 0.00 175.55 175.52 1imf s THR 132 N 0.57 0.77 -0.07 -0.71 -4.23 -0.99 -0.66 115.64 110.33 1imf s THR 132 Ca 0.17 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 1imf s THR 132 Cb -0.13 -1.93 0.09 0.00 1.34 0.00 0.00 72.50 71.86 1imf s THR 132 CO 0.05 -0.65 0.77 0.00 -0.54 0.00 0.00 174.62 174.25 1imf s ALA 133 N -3.58 -1.81 -0.00 3.99 0.00 -1.03 -1.77 121.76 117.56 1imf s ALA 133 Ca 0.19 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 1imf s ALA 133 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1imf s ALA 133 CO 0.01 -0.38 0.00 0.50 0.00 0.00 0.00 175.76 175.88 1imf s ARG 134 N -1.37 0.00 -0.24 0.00 6.06 -1.19 -2.65 118.95 119.57 1imf s ARG 134 Ca -0.07 0.01 -0.36 0.00 -2.50 0.00 0.00 55.73 52.81 1imf s ARG 134 Cb -0.00 -0.00 -0.12 0.00 0.06 0.00 0.00 34.95 34.88 1imf s ARG 134 CO 0.06 -0.00 1.97 1.17 -2.50 0.00 0.00 175.30 176.00 1imf n LYS 135 N 3.10 1.52 0.00 5.12 3.00 -0.56 -0.89 118.16 129.45 1imf n LYS 135 Ca -0.12 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1imf n LYS 135 Cb 0.60 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.15 1imf n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1imf n GLY 136 N 5.18 3.09 1.21 3.14 0.00 -1.26 -4.86 105.19 111.69 1imf n GLY 136 Ca 0.31 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.41 1imf n GLY 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1imf n LYS 137 N -1.27 3.31 0.00 1.61 4.76 -0.07 -5.08 118.16 121.42 1imf n LYS 137 Ca 0.00 -2.66 0.00 0.00 -2.87 0.00 0.00 58.31 52.78 1imf n LYS 137 Cb 0.00 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 1imf n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1imf n GLY 138 N 0.73 -1.78 3.69 0.72 0.00 -1.19 -4.83 105.19 102.53 1imf n GLY 138 Ca 0.21 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1imf n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1imf s ALA 139 N -2.16 3.32 -0.03 4.61 0.00 -1.24 -3.19 121.76 123.07 1imf s ALA 139 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1imf s ALA 139 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1imf s ALA 139 CO 0.00 0.63 0.09 -0.06 0.00 0.00 0.00 175.76 176.42 1imf s PHE 140 N -1.02 -0.09 -0.24 0.00 0.40 -0.73 -1.48 117.98 114.83 1imf s PHE 140 Ca 0.17 0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.67 1imf s PHE 140 Cb -0.11 0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 1imf s PHE 140 CO 0.07 -0.05 0.05 0.00 0.70 0.00 0.00 175.22 176.00 1imf n ASN 142 N 4.73 -1.84 0.00 0.00 5.03 -0.22 0.07 115.26 123.02 1imf n ASN 142 Ca -0.16 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.20 1imf n ASN 142 Cb 0.51 -2.73 0.00 0.00 -1.02 0.00 0.00 39.78 36.54 1imf n ASN 142 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1imf n GLY 143 N -2.02 1.95 3.73 7.41 0.00 -1.26 -4.99 105.19 110.01 1imf n GLY 143 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1imf n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1imf s GLN 144 N -0.05 3.28 0.36 1.61 -2.07 0.11 -5.02 119.66 117.87 1imf s GLN 144 Ca 0.00 -0.32 -0.27 0.00 -1.82 0.00 0.00 55.36 52.95 1imf s GLN 144 Cb 0.00 -2.97 -0.09 0.00 -1.09 0.00 0.00 33.01 28.85 1imf s GLN 144 CO 0.00 0.65 1.21 0.21 -1.32 0.00 0.00 175.29 176.04 1imf s LYS 145 N -0.71 4.24 -0.05 9.60 2.20 -1.26 0.42 119.74 134.18 1imf s LYS 145 Ca 0.12 1.98 -0.02 0.00 -0.36 0.00 0.00 55.97 57.69 1imf s LYS 145 Cb -0.12 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1imf s LYS 145 CO 0.02 -0.20 0.04 -0.51 -0.36 0.00 0.00 175.35 174.35 1imf s LEU 146 N -2.09 3.77 -0.07 5.43 1.43 -0.55 -4.80 118.68 121.80 1imf s LEU 146 Ca 0.52 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1imf s LEU 146 Cb -0.34 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 43.89 1imf s LEU 146 CO 0.44 0.33 0.17 -1.58 0.23 0.00 0.00 176.35 175.95 1imf s GLN 147 N -1.27 0.15 1.03 1.70 0.74 -1.22 -4.52 119.66 116.26 1imf s GLN 147 Ca 0.17 0.34 -0.16 0.00 0.05 0.00 0.00 55.36 55.77 1imf s GLN 147 Cb -0.12 -0.07 0.21 0.00 1.10 0.00 0.00 33.01 34.14 1imf s GLN 147 CO 0.07 -0.11 1.18 0.14 -0.55 0.00 0.00 175.29 176.02 1imf s VAL 148 N 0.77 1.86 0.96 1.34 -7.23 -0.77 -3.53 120.40 113.81 1imf s VAL 148 Ca -0.06 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 1imf s VAL 148 Cb -0.07 -2.73 0.19 0.00 0.56 0.00 0.00 36.38 34.33 1imf s VAL 148 CO -0.04 0.00 1.26 -0.94 -0.31 0.00 0.00 175.10 175.07 1imf s SER 149 N -4.22 3.12 0.00 4.85 1.04 -1.26 -4.78 113.70 112.44 1imf s SER 149 Ca 0.69 0.44 0.13 0.00 0.48 0.00 0.00 55.95 57.70 1imf s SER 149 Cb -0.10 -0.61 0.07 0.00 0.10 0.00 0.00 66.02 65.47 1imf s SER 149 CO 0.54 -2.75 0.86 0.00 0.98 0.00 0.00 173.24 172.88 1imf n GLN 150 N -3.81 1.25 -1.64 4.02 6.02 -1.26 -4.87 117.38 117.08 1imf n GLN 150 Ca 0.13 -1.09 -0.43 0.00 -0.01 0.00 0.00 57.00 55.59 1imf n GLN 150 Cb 0.60 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.59 1imf n GLN 150 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1imf n GLN 151 N 0.43 2.54 0.00 -1.09 -0.06 -1.26 -4.83 117.38 113.10 1imf n GLN 151 Ca 0.07 0.89 0.07 0.00 -2.00 0.00 0.00 57.00 56.03 1imf n GLN 151 Cb 0.32 -3.00 -0.05 0.00 -4.06 0.00 0.00 30.24 23.44 1imf n GLN 151 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1imf n GLU 152 N 7.71 1.99 -3.02 3.69 1.02 -1.26 -4.87 120.64 125.90 1imf n GLU 152 Ca 0.23 -0.32 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1imf n GLU 152 Cb 0.40 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 1imf n GLU 152 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1imf s ASP 153 N -2.16 6.55 0.60 1.62 -1.08 -1.26 -4.65 116.67 116.30 1imf s ASP 153 Ca 0.08 0.44 0.37 0.00 -0.52 0.00 0.00 52.55 52.93 1imf s ASP 153 Cb 0.12 -2.37 1.93 0.00 -1.46 0.00 0.00 42.92 41.14 1imf s ASP 153 CO 0.51 -0.61 2.22 -0.29 0.52 0.00 0.00 175.17 177.53 1imf h ILE 154 N 5.63 0.20 -0.00 4.11 6.09 -1.92 -1.98 117.51 129.65 1imf h ILE 154 Ca -0.25 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1imf h ILE 154 Cb 1.10 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.57 1imf h ILE 154 CO 0.86 0.03 -0.07 0.35 -3.07 0.00 0.00 178.15 176.24 1imf n THR 155 N -3.32 0.00 -0.76 2.19 -2.24 -1.25 -2.58 114.28 106.32 1imf n THR 155 Ca -0.02 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1imf n THR 155 Cb 0.15 -0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1imf n THR 155 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1imf n LYS 156 N -1.10 1.72 -3.72 -0.78 5.02 -0.75 -3.74 118.16 114.81 1imf n LYS 156 Ca 0.14 -2.01 -0.31 0.00 -2.02 0.00 0.00 58.31 54.12 1imf n LYS 156 Cb 0.26 -1.21 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 1imf n LYS 156 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1imf s SER 157 N -1.98 6.45 -0.13 4.39 1.04 -1.07 -4.69 113.70 117.72 1imf s SER 157 Ca 0.17 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1imf s SER 157 Cb 0.15 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 1imf s SER 157 CO 0.02 0.06 -0.14 -0.22 0.98 0.00 0.00 173.24 173.94 1imf s LEU 158 N -2.73 2.67 0.13 2.42 2.96 -1.26 0.35 118.68 123.21 1imf s LEU 158 Ca 0.40 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1imf s LEU 158 Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1imf s LEU 158 CO 0.26 0.15 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.61 1imf s LEU 159 N 0.41 3.11 0.04 -0.68 1.43 -0.81 -0.81 118.68 121.38 1imf s LEU 159 Ca -0.11 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1imf s LEU 159 Cb -0.16 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1imf s LEU 159 CO 0.05 0.15 -0.24 0.68 0.23 0.00 0.00 176.35 177.22 1imf s VAL 160 N -1.40 1.94 0.34 -1.59 -7.23 -0.73 -0.85 120.40 110.87 1imf s VAL 160 Ca 0.23 -1.30 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 1imf s VAL 160 Cb -0.10 -1.66 0.05 0.00 0.56 0.00 0.00 36.38 35.22 1imf s VAL 160 CO 0.15 0.30 0.79 0.28 -0.31 0.00 0.00 175.10 176.31 1imf s THR 161 N -0.79 0.00 0.23 5.32 -1.32 -0.80 -3.36 115.64 114.93 1imf s THR 161 Ca 0.10 -0.97 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 1imf s THR 161 Cb -0.09 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.25 1imf s THR 161 CO 0.02 0.00 -0.15 -1.61 -2.21 0.00 0.00 174.62 170.67 1imf s GLU 162 N -2.81 1.45 0.00 7.08 0.41 -1.26 -4.19 118.70 119.38 1imf s GLU 162 Ca 0.14 -1.66 0.28 0.00 -0.41 0.00 0.00 54.97 53.32 1imf s GLU 162 Cb -0.05 -1.31 1.05 0.00 -1.78 0.00 0.00 34.13 32.04 1imf s GLU 162 CO 0.10 0.21 1.77 1.28 -0.49 0.00 0.00 175.26 178.13 1imf n LEU 163 N -0.47 0.29 0.00 1.80 4.32 -1.26 -4.99 117.00 116.69 1imf n LEU 163 Ca -0.07 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1imf n LEU 163 Cb 0.61 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1imf n LEU 163 CO 0.36 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1imf n GLY 164 N 1.42 1.48 0.72 -0.72 0.00 -1.26 -4.74 105.19 102.09 1imf n GLY 164 Ca 0.09 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.14 1imf n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1imf n SER 165 N 0.00 3.26 -4.41 1.61 3.41 -1.26 -4.98 113.62 111.25 1imf n SER 165 Ca 0.00 -2.37 -0.33 0.00 -0.26 0.00 0.00 58.87 55.91 1imf n SER 165 Cb 0.00 -0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.47 1imf n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1imf s SER 166 N -1.34 3.95 -0.10 4.04 0.15 -1.26 -4.97 113.70 114.16 1imf s SER 166 Ca 0.30 -0.29 0.17 0.00 0.70 0.00 0.00 55.95 56.83 1imf s SER 166 Cb 0.20 -1.25 0.62 0.00 -1.71 0.00 0.00 66.02 63.88 1imf s SER 166 CO 0.13 0.24 1.54 0.54 1.20 0.00 0.00 173.24 176.89 1imf n ARG 167 N 2.99 3.45 -2.26 5.44 5.12 -1.26 -4.55 116.66 125.59 1imf n ARG 167 Ca -0.18 -2.74 -0.43 0.00 -1.93 0.00 0.00 57.85 52.58 1imf n ARG 167 Cb 0.52 -1.77 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 1imf n ARG 167 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1imf s THR 168 N -1.82 3.95 0.44 0.55 2.01 -1.26 -4.87 115.64 114.63 1imf s THR 168 Ca 0.45 1.10 0.09 0.00 0.31 0.00 0.00 61.69 63.65 1imf s THR 168 Cb 0.29 -3.87 0.26 0.00 0.01 0.00 0.00 72.50 69.20 1imf s THR 168 CO 0.21 -0.27 2.08 -0.65 -0.69 0.00 0.00 174.62 175.29 1imf h PRO 169 N 9.55 0.39 -0.86 4.92 0.11 -1.98 0.24 132.00 144.37 1imf h PRO 169 Ca -0.30 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1imf h PRO 169 Cb 1.13 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1imf h PRO 169 CO 1.00 0.27 0.45 1.49 -0.21 0.00 0.00 178.00 180.99 1imf h GLU 170 N 0.40 1.21 0.20 1.05 4.81 -1.99 -2.00 114.58 118.26 1imf h GLU 170 Ca 0.11 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1imf h GLU 170 Cb -0.03 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1imf h GLU 170 CO -0.02 0.91 -0.10 1.15 -0.73 0.00 0.00 179.01 180.22 1imf h THR 171 N 1.21 0.69 -0.94 0.32 2.02 -1.14 -2.83 112.91 112.24 1imf h THR 171 Ca 0.30 -1.02 0.18 0.00 0.77 0.00 0.00 66.41 66.64 1imf h THR 171 Cb 0.07 1.15 -0.11 0.00 -1.74 0.00 0.00 68.15 67.52 1imf h THR 171 CO -0.04 0.18 0.52 0.58 0.37 0.00 0.00 175.52 177.13 1imf h VAL 172 N -0.91 0.67 -0.13 3.16 2.07 -0.68 0.12 116.25 120.55 1imf h VAL 172 Ca -0.03 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1imf h VAL 172 Cb 0.50 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1imf h VAL 172 CO 0.05 0.12 -0.37 -0.09 0.02 0.00 0.00 177.57 177.30 1imf h ARG 173 N 0.66 0.27 0.03 1.57 2.43 -1.39 0.30 114.38 118.26 1imf h ARG 173 Ca 0.54 -0.12 -0.27 0.00 -0.81 0.00 0.00 59.98 59.33 1imf h ARG 173 Cb 0.86 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1imf h ARG 173 CO -0.40 0.61 -1.07 0.52 -1.51 0.00 0.00 179.97 178.12 1imf h MET 174 N 0.24 0.62 -0.27 0.20 2.86 -0.76 0.81 114.93 118.63 1imf h MET 174 Ca 0.03 -0.70 0.02 0.00 -2.06 0.00 0.00 59.70 56.99 1imf h MET 174 Cb 0.76 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1imf h MET 174 CO 0.06 1.29 0.12 0.28 1.06 0.00 0.00 176.91 179.72 1imf h VAL 175 N 0.33 0.97 0.00 -2.22 2.07 -0.89 0.22 116.25 116.74 1imf h VAL 175 Ca -0.13 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1imf h VAL 175 Cb 1.72 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1imf h VAL 175 CO 0.20 0.05 -0.52 -0.07 0.02 0.00 0.00 177.57 177.25 1imf h LEU 176 N 0.26 0.00 -0.40 2.57 3.38 -0.98 -2.50 115.31 117.65 1imf h LEU 176 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1imf h LEU 176 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1imf h LEU 176 CO -0.09 0.52 -0.02 -1.28 0.09 0.00 0.00 178.44 177.66 1imf h SER 177 N 0.00 0.70 -0.55 -0.43 0.87 0.04 -0.62 113.55 113.56 1imf h SER 177 Ca -0.01 -0.32 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 1imf h SER 177 Cb 0.98 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1imf h SER 177 CO 0.07 0.86 -0.09 0.78 -0.53 0.00 0.00 176.83 177.91 1imf h ASN 178 N 0.54 1.04 -0.60 6.23 2.35 -0.52 -2.64 115.58 121.97 1imf h ASN 178 Ca 0.11 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1imf h ASN 178 Cb 0.51 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1imf h ASN 178 CO 0.02 1.14 0.38 0.24 -1.65 0.00 0.00 177.43 177.56 1imf h MET 179 N 0.93 0.73 -0.38 0.81 2.86 -1.12 -2.70 114.93 116.06 1imf h MET 179 Ca 0.15 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1imf h MET 179 Cb 0.66 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1imf h MET 179 CO 0.05 0.49 0.09 1.49 1.06 0.00 0.00 176.91 180.09 1imf h GLU 180 N 0.76 0.22 -0.74 1.72 4.81 -0.96 0.14 114.58 120.53 1imf h GLU 180 Ca 0.23 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1imf h GLU 180 Cb -0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1imf h GLU 180 CO -0.08 0.15 0.33 0.87 -0.73 0.00 0.00 179.01 179.54 1imf h LYS 181 N 0.23 1.09 -0.19 1.92 1.57 -1.22 0.66 116.57 120.62 1imf h LYS 181 Ca 0.18 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1imf h LYS 181 Cb 0.20 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1imf h LYS 181 CO -0.22 0.87 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.02 1imf h LEU 182 N 1.05 0.71 -0.80 2.94 3.38 -1.32 -2.62 115.31 118.64 1imf h LEU 182 Ca 0.25 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1imf h LEU 182 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1imf h LEU 182 CO -0.03 1.14 0.51 0.15 0.09 0.00 0.00 178.44 180.31 1imf h PHE 183 N 0.30 1.02 0.00 1.13 3.57 -0.09 -0.99 116.94 121.88 1imf h PHE 183 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1imf h PHE 183 Cb 1.04 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1imf h PHE 183 CO 0.09 0.66 0.00 0.00 -2.23 0.00 0.00 178.31 176.83 1imf h ILE 185 N 0.00 0.58 -2.46 0.00 2.04 -0.78 -3.46 117.51 113.43 1imf h ILE 185 Ca 0.00 -0.07 -0.49 0.00 1.00 0.00 0.00 64.86 65.30 1imf h ILE 185 Cb 0.11 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1imf h ILE 185 CO 0.00 0.04 -0.38 -2.16 0.00 0.00 0.00 178.15 175.65 1imf s PRO 186 N -6.12 3.46 0.39 2.37 0.04 -1.26 -5.04 135.00 128.85 1imf s PRO 186 Ca -0.13 -0.59 0.08 0.00 0.04 0.00 0.00 61.00 60.40 1imf s PRO 186 Cb 0.18 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1imf s PRO 186 CO 0.74 0.39 0.38 0.14 0.04 0.00 0.00 177.00 178.69 1imf s VAL 187 N -1.99 2.97 0.21 -0.36 -7.23 -1.21 -3.76 120.40 109.03 1imf s VAL 187 Ca 0.36 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1imf s VAL 187 Cb -0.10 -3.06 0.02 0.00 0.56 0.00 0.00 36.38 33.80 1imf s VAL 187 CO 0.30 -0.05 1.61 0.45 -0.31 0.00 0.00 175.10 177.10 1imf h HIS 188 N 1.04 0.89 0.00 2.82 3.86 -0.19 -3.47 115.15 120.09 1imf h HIS 188 Ca -0.42 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 1imf h HIS 188 Cb 1.26 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1imf h HIS 188 CO 0.50 0.95 0.00 0.41 0.86 0.00 0.00 177.93 180.65 1imf n GLY 189 N -0.17 0.28 3.10 2.45 0.00 -1.24 -4.98 105.19 104.64 1imf n GLY 189 Ca -0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 1imf n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1imf s ILE 190 N -2.00 1.10 0.28 -0.61 1.01 -1.26 -1.93 121.20 117.80 1imf s ILE 190 Ca 0.00 -0.59 0.11 0.00 0.00 0.00 0.00 60.65 60.17 1imf s ILE 190 Cb 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1imf s ILE 190 CO 0.00 0.31 -0.19 -0.13 0.00 0.00 0.00 174.94 174.94 1imf s ARG 191 N -0.29 1.66 -0.09 2.79 1.81 -0.03 -4.96 118.95 119.85 1imf s ARG 191 Ca 0.05 -1.77 -0.03 0.00 -1.72 0.00 0.00 55.73 52.26 1imf s ARG 191 Cb -0.06 -1.70 0.04 0.00 -0.45 0.00 0.00 34.95 32.78 1imf s ARG 191 CO -0.00 0.30 0.10 -1.12 -0.68 0.00 0.00 175.30 173.89 1imf s SER 192 N -3.50 1.35 0.00 0.23 0.01 -1.26 -1.90 113.70 108.63 1imf s SER 192 Ca 0.30 -0.04 0.17 0.00 1.31 0.00 0.00 55.95 57.68 1imf s SER 192 Cb -0.04 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.04 1imf s SER 192 CO 0.14 -0.28 0.81 0.52 0.41 0.00 0.00 173.24 174.85 1imf n VAL 193 N 5.30 0.00 -0.37 3.43 0.31 -1.26 -5.03 118.33 120.71 1imf n VAL 193 Ca -0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1imf n VAL 193 Cb 0.50 1.10 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 1imf n VAL 193 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1imf n GLY 194 N 1.31 0.71 2.96 2.92 0.00 -1.26 -4.78 105.19 107.05 1imf n GLY 194 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1imf n GLY 194 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1imf s THR 195 N -2.58 0.00 0.21 2.61 -1.32 -1.26 -4.56 115.64 108.74 1imf s THR 195 Ca 0.00 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.51 1imf s THR 195 Cb 0.00 -0.13 -0.08 0.00 -1.51 0.00 0.00 72.50 70.77 1imf s THR 195 CO 0.00 -0.01 1.49 0.00 -2.21 0.00 0.00 174.62 173.90 1imf h ALA 196 N 5.99 0.73 -0.38 11.08 0.00 -1.92 -2.11 119.26 132.65 1imf h ALA 196 Ca -0.25 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 53.94 1imf h ALA 196 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1imf h ALA 196 CO 0.45 0.81 -0.19 0.00 0.00 0.00 0.00 179.25 180.32 1imf h ALA 197 N 1.12 0.54 -0.13 0.00 0.00 -1.94 -1.71 119.26 117.14 1imf h ALA 197 Ca -0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1imf h ALA 197 Cb 1.26 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1imf h ALA 197 CO 0.11 0.49 -0.56 0.28 0.00 0.00 0.00 179.25 179.57 1imf h VAL 198 N 0.60 1.34 -0.71 0.00 2.07 -1.93 -2.25 116.25 115.36 1imf h VAL 198 Ca 0.08 -1.84 0.14 0.00 0.82 0.00 0.00 66.70 65.90 1imf h VAL 198 Cb 0.75 2.11 -0.10 0.00 -1.52 0.00 0.00 31.29 32.53 1imf h VAL 198 CO 0.06 0.56 0.24 0.78 0.02 0.00 0.00 177.57 179.23 1imf h ASN 199 N 0.24 0.17 0.13 0.57 2.35 -1.35 0.18 115.58 117.87 1imf h ASN 199 Ca -0.03 0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1imf h ASN 199 Cb 1.19 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1imf h ASN 199 CO 0.12 0.06 -0.31 0.24 -1.65 0.00 0.00 177.43 175.88 1imf h MET 200 N 0.37 0.28 -0.20 0.81 2.86 -1.18 -1.97 114.93 115.90 1imf h MET 200 Ca 0.39 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1imf h MET 200 Cb 0.60 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1imf h MET 200 CO -0.42 0.57 -0.35 0.00 1.06 0.00 0.00 176.91 177.77 1imf h LEU 202 N 0.36 0.99 -1.00 0.00 3.38 -0.22 0.76 115.31 119.58 1imf h LEU 202 Ca 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1imf h LEU 202 Cb 0.78 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1imf h LEU 202 CO 0.06 0.79 -0.06 0.58 0.09 0.00 0.00 178.44 179.90 1imf h VAL 203 N 1.12 1.24 -0.44 1.22 2.07 -1.23 -2.53 116.25 117.69 1imf h VAL 203 Ca 0.28 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1imf h VAL 203 Cb 0.01 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1imf h VAL 203 CO -0.05 0.34 -0.07 0.00 0.02 0.00 0.00 177.57 177.82 1imf h ALA 204 N 1.33 1.05 0.00 1.67 0.00 -0.26 -2.77 119.26 120.28 1imf h ALA 204 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1imf h ALA 204 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1imf h ALA 204 CO 0.02 0.58 -0.22 1.79 0.00 0.00 0.00 179.25 181.43 1imf h THR 205 N 0.70 0.51 0.00 0.00 1.35 -1.19 -3.23 112.91 111.06 1imf h THR 205 Ca 0.13 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1imf h THR 205 Cb 0.53 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1imf h THR 205 CO 0.03 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1imf n GLY 206 N 0.24 0.44 0.30 5.82 0.00 -1.05 -4.44 105.19 106.50 1imf n GLY 206 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1imf n GLY 206 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1imf h GLY 207 N 0.00 0.00 -2.88 -0.02 0.00 -1.71 -3.42 103.07 95.04 1imf h GLY 207 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1imf h GLY 207 CO 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 175.89 1imf s ALA 208 N -4.48 0.95 -0.08 3.60 0.00 -1.10 -4.96 121.76 115.69 1imf s ALA 208 Ca -0.05 -1.48 0.18 0.00 0.00 0.00 0.00 51.96 50.62 1imf s ALA 208 Cb 0.14 0.74 -0.27 0.00 0.00 0.00 0.00 23.12 23.73 1imf s ALA 208 CO 0.52 -0.44 0.31 -0.25 0.00 0.00 0.00 175.76 175.90 1imf n ASP 209 N -0.11 0.58 -3.51 0.00 8.00 0.01 -4.41 116.55 117.11 1imf n ASP 209 Ca -0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1imf n ASP 209 Cb 0.63 1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 43.26 1imf n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1imf s ALA 210 N -3.05 -1.78 -0.03 2.24 0.00 -1.23 -1.61 121.76 116.30 1imf s ALA 210 Ca -0.08 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1imf s ALA 210 Cb 0.10 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1imf s ALA 210 CO 0.78 -0.47 -0.05 -0.47 0.00 0.00 0.00 175.76 175.56 1imf s TYR 211 N -1.86 0.68 0.12 0.00 5.04 0.37 -1.77 117.35 119.93 1imf s TYR 211 Ca -0.05 -0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.47 1imf s TYR 211 Cb -0.00 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 41.70 1imf s TYR 211 CO 0.02 -0.13 -0.14 1.52 -1.34 0.00 0.00 175.55 175.48 1imf s TYR 212 N 0.59 1.37 -0.24 4.97 1.13 -1.21 -0.21 117.35 123.74 1imf s TYR 212 Ca -0.08 -0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 54.77 1imf s TYR 212 Cb -0.11 -0.72 0.12 0.00 -1.10 0.00 0.00 41.96 40.15 1imf s TYR 212 CO 0.00 0.13 0.99 -2.00 -2.51 0.00 0.00 175.55 172.16 1imf s GLU 213 N -2.58 0.57 -0.19 -3.49 2.12 -0.08 -4.53 118.70 110.51 1imf s GLU 213 Ca 0.08 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.88 1imf s GLU 213 Cb -0.05 0.27 0.04 0.00 0.26 0.00 0.00 34.13 34.65 1imf s GLU 213 CO 0.03 -0.11 -0.12 -1.64 -0.54 0.00 0.00 175.26 172.87 1imf s MET 214 N -0.22 2.22 0.00 4.30 -1.94 -1.26 -1.24 119.30 121.15 1imf s MET 214 Ca 0.01 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 1imf s MET 214 Cb -0.03 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.42 1imf s MET 214 CO -0.03 -0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.02 1imf n GLY 215 N 4.68 0.16 2.24 -0.03 0.00 0.11 -4.99 105.19 107.37 1imf n GLY 215 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1imf n GLY 215 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1imf n ILE 216 N 0.00 0.00 -4.29 -0.61 -6.64 -1.17 -5.02 119.36 101.63 1imf n ILE 216 Ca 0.00 -0.45 -0.16 0.00 -1.77 0.00 0.00 62.75 60.37 1imf n ILE 216 Cb 0.00 -1.43 -0.10 0.00 -1.44 0.00 0.00 39.64 36.67 1imf n ILE 216 CO 0.00 0.00 0.00 -1.00 -1.77 0.00 0.00 176.55 173.78 1imf s HIS 217 N -2.49 1.47 0.32 4.28 3.76 -1.26 -4.49 115.29 116.88 1imf s HIS 217 Ca 0.44 -0.65 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1imf s HIS 217 Cb -0.03 -0.72 0.68 0.00 1.11 0.00 0.00 32.58 33.62 1imf s HIS 217 CO 0.33 0.21 1.87 0.00 -0.85 0.00 0.00 174.74 176.29 1imf h TRP 219 N 0.85 0.00 -0.01 0.00 0.09 -1.91 -1.06 115.95 113.91 1imf h TRP 219 Ca 0.45 0.00 -0.22 0.00 0.09 0.00 0.00 58.89 59.21 1imf h TRP 219 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.78 1imf h TRP 219 CO -0.00 0.00 -0.92 -0.44 0.09 0.00 0.00 178.44 177.17 1imf h ASP 220 N 0.00 0.51 -0.00 0.11 3.32 -1.04 -3.38 116.42 115.93 1imf h ASP 220 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1imf h ASP 220 Cb 0.36 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1imf h ASP 220 CO 0.00 1.20 -0.42 1.33 -1.72 0.00 0.00 179.24 179.63 1imf n VAL 221 N -3.75 0.00 0.20 -1.35 0.24 -0.95 -4.15 118.33 108.57 1imf n VAL 221 Ca -0.06 -0.29 0.04 0.00 -2.04 0.00 0.00 64.34 61.99 1imf n VAL 221 Cb 0.82 1.07 0.44 0.00 -1.47 0.00 0.00 33.84 34.70 1imf n VAL 221 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1imf h ALA 222 N 1.94 1.44 0.00 2.33 0.00 -1.38 -1.47 119.26 122.11 1imf h ALA 222 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1imf h ALA 222 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1imf h ALA 222 CO 0.00 0.37 -0.00 0.78 0.00 0.00 0.00 179.25 180.39 1imf h GLY 223 N 0.97 -0.00 2.00 0.00 0.00 -1.83 -3.36 103.07 100.85 1imf h GLY 223 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1imf h GLY 223 CO 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 1imf h ALA 224 N 0.20 0.99 -0.77 3.60 0.00 -1.83 -3.30 119.26 118.16 1imf h ALA 224 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1imf h ALA 224 Cb 0.80 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1imf h ALA 224 CO 0.00 0.02 0.44 0.78 0.00 0.00 0.00 179.25 180.49 1imf h GLY 225 N 3.95 1.16 2.00 0.00 0.00 -1.42 -0.80 103.07 107.96 1imf h GLY 225 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1imf h GLY 225 CO 0.00 0.16 -0.46 1.19 0.00 0.00 0.00 176.54 177.43 1imf h ILE 226 N 0.77 1.15 -0.00 2.60 6.09 -1.76 -2.34 117.51 124.02 1imf h ILE 226 Ca 0.35 -1.68 -0.11 0.00 -1.37 0.00 0.00 64.86 62.05 1imf h ILE 226 Cb 0.26 1.95 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 1imf h ILE 226 CO -0.21 0.45 -0.54 0.40 -3.07 0.00 0.00 178.15 175.18 1imf h ILE 227 N 0.00 1.39 -0.18 2.19 2.04 -1.29 -1.38 117.51 120.28 1imf h ILE 227 Ca -0.00 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 1imf h ILE 227 Cb 0.91 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1imf h ILE 227 CO 0.06 0.53 -0.05 0.58 0.00 0.00 0.00 178.15 179.27 1imf h VAL 228 N 0.01 1.29 -0.14 1.67 2.07 -0.87 -2.42 116.25 117.86 1imf h VAL 228 Ca -0.00 -1.04 -0.18 0.00 0.82 0.00 0.00 66.70 66.29 1imf h VAL 228 Cb 0.96 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1imf h VAL 228 CO 0.07 0.31 -0.66 0.71 0.02 0.00 0.00 177.57 178.03 1imf h THR 229 N 0.06 1.34 0.00 2.57 1.35 -1.44 0.24 112.91 117.03 1imf h THR 229 Ca 0.04 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1imf h THR 229 Cb 0.50 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1imf h THR 229 CO 0.02 0.60 0.00 -0.33 -0.25 0.00 0.00 175.52 175.56 1imf h GLU 230 N 0.39 0.00 -0.00 4.72 4.39 -1.30 -1.27 114.58 121.50 1imf h GLU 230 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1imf h GLU 230 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1imf h GLU 230 CO 0.12 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.83 1imf n ALA 231 N -1.87 2.82 0.00 3.43 0.00 -0.91 -3.63 120.51 120.34 1imf n ALA 231 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1imf n ALA 231 Cb 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1imf n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1imf n GLY 232 N 1.30 1.53 1.17 0.00 0.00 -0.48 -1.84 105.19 106.87 1imf n GLY 232 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1imf n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1imf n GLY 233 N -1.05 3.09 3.22 -0.02 0.00 0.02 -4.80 105.19 105.65 1imf n GLY 233 Ca 0.00 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 1imf n GLY 233 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1imf s VAL 234 N -0.92 1.62 0.02 1.61 -7.23 -0.63 -4.22 120.40 110.66 1imf s VAL 234 Ca 0.08 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1imf s VAL 234 Cb -0.01 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1imf s VAL 234 CO 0.05 0.39 0.08 -0.76 -0.31 0.00 0.00 175.10 174.55 1imf s LEU 235 N -0.67 3.89 0.22 1.32 1.43 -1.26 -1.03 118.68 122.58 1imf s LEU 235 Ca 0.08 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.06 1imf s LEU 235 Cb -0.08 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.83 1imf s LEU 235 CO -0.00 0.24 0.73 0.00 0.23 0.00 0.00 176.35 177.55 1imf s MET 236 N -1.93 1.56 0.67 1.70 0.23 -0.22 -4.32 119.30 116.98 1imf s MET 236 Ca 0.25 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 54.00 1imf s MET 236 Cb -0.12 0.57 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1imf s MET 236 CO 0.17 -0.71 1.05 0.34 -2.03 0.00 0.00 175.02 173.84 1imf s ASP 237 N -2.86 5.65 0.00 -1.18 2.15 -0.62 -1.88 116.67 117.93 1imf s ASP 237 Ca 0.08 1.57 0.05 0.00 0.43 0.00 0.00 52.55 54.69 1imf s ASP 237 Cb -0.04 -2.49 0.25 0.00 -0.30 0.00 0.00 42.92 40.34 1imf s ASP 237 CO 0.01 -1.26 1.06 0.52 -0.17 0.00 0.00 175.17 175.33 1imf n VAL 238 N -2.96 1.19 0.03 1.11 0.31 -1.26 -1.71 118.33 115.04 1imf n VAL 238 Ca 0.07 0.30 0.07 0.00 -0.01 0.00 0.00 64.34 64.77 1imf n VAL 238 Cb 0.54 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 1imf n VAL 238 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1imf n THR 239 N -1.36 0.60 0.00 2.52 -2.24 -1.26 -4.69 114.28 107.85 1imf n THR 239 Ca 0.02 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1imf n THR 239 Cb 0.05 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1imf n THR 239 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1imf n GLY 240 N 1.31 1.74 0.78 3.38 0.00 -0.69 -4.88 105.19 106.83 1imf n GLY 240 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1imf n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1imf n GLY 241 N -0.21 -2.62 3.77 -0.02 0.00 -1.26 -4.71 105.19 100.13 1imf n GLY 241 Ca 0.00 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1imf n GLY 241 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1imf s PRO 242 N -3.55 3.94 0.35 1.61 0.02 -1.26 -1.59 135.00 134.52 1imf s PRO 242 Ca 0.16 2.01 -0.28 0.00 0.02 0.00 0.00 61.00 62.91 1imf s PRO 242 Cb -0.02 -2.68 -0.12 0.00 0.02 0.00 0.00 34.50 31.71 1imf s PRO 242 CO 0.12 -0.47 1.30 0.34 -0.33 0.00 0.00 177.00 177.96 1imf n PHE 243 N 0.00 2.30 -3.81 6.54 7.35 -1.26 -3.81 117.46 124.78 1imf n PHE 243 Ca 0.05 0.55 -0.28 0.00 -0.76 0.00 0.00 57.45 57.00 1imf n PHE 243 Cb 0.45 -2.42 -0.16 0.00 0.35 0.00 0.00 39.48 37.70 1imf n PHE 243 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1imf s ASP 244 N -0.31 3.10 0.51 -2.13 -1.08 -1.26 -4.90 116.67 110.60 1imf s ASP 244 Ca 0.55 -0.87 0.19 0.00 -0.52 0.00 0.00 52.55 51.90 1imf s ASP 244 Cb -0.56 -0.78 1.27 0.00 -1.46 0.00 0.00 42.92 41.39 1imf s ASP 244 CO 0.62 -0.27 2.08 0.25 0.52 0.00 0.00 175.17 178.37 1imf h LEU 245 N 8.16 0.06 -2.85 -1.34 5.85 -1.94 -1.98 115.31 121.26 1imf h LEU 245 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1imf h LEU 245 Cb 1.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1imf h LEU 245 CO 0.36 0.04 0.00 0.23 -0.34 0.00 0.00 178.44 178.73 1imf n MET 246 N -4.47 3.08 0.00 1.25 2.81 -1.26 -4.13 117.12 114.39 1imf n MET 246 Ca 0.03 -2.73 0.13 0.00 -1.81 0.00 0.00 57.70 53.32 1imf n MET 246 Cb 0.30 -1.69 0.39 0.00 -0.71 0.00 0.00 33.22 31.50 1imf n MET 246 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1imf n SER 247 N 1.48 0.81 -0.84 7.83 3.41 -0.75 -1.41 113.62 124.15 1imf n SER 247 Ca 0.25 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1imf n SER 247 Cb 0.72 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.76 1imf n SER 247 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1imf n ARG 248 N -0.89 -0.66 -3.63 4.33 5.12 -1.26 -4.62 116.66 115.04 1imf n ARG 248 Ca 0.11 0.64 -0.15 0.00 -1.93 0.00 0.00 57.85 56.52 1imf n ARG 248 Cb 0.33 -4.57 -0.07 0.00 -1.16 0.00 0.00 32.46 26.99 1imf n ARG 248 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1imf s ARG 249 N -3.54 0.82 -0.05 5.56 1.70 -1.26 0.09 118.95 122.26 1imf s ARG 249 Ca 0.00 0.59 -0.17 0.00 -0.47 0.00 0.00 55.73 55.68 1imf s ARG 249 Cb 0.00 0.39 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1imf s ARG 249 CO 0.00 -0.16 0.39 0.54 -1.08 0.00 0.00 175.30 174.99 1imf s VAL 250 N -0.26 0.03 -0.19 4.99 0.11 -0.37 -4.71 120.40 120.00 1imf s VAL 250 Ca -0.04 -0.29 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1imf s VAL 250 Cb -0.03 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.21 1imf s VAL 250 CO 0.04 -0.16 0.01 -0.63 -3.33 0.00 0.00 175.10 171.03 1imf s ILE 251 N -0.94 0.71 -0.34 7.04 1.01 -0.79 -0.90 121.20 126.99 1imf s ILE 251 Ca -0.10 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1imf s ILE 251 Cb -0.04 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1imf s ILE 251 CO 0.04 -0.15 0.15 0.00 0.00 0.00 0.00 174.94 174.98 1imf s ALA 252 N 1.78 3.18 0.35 9.38 0.00 0.70 -1.06 121.76 136.09 1imf s ALA 252 Ca -0.01 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1imf s ALA 252 Cb -0.17 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1imf s ALA 252 CO -0.07 -1.19 0.08 0.00 0.00 0.00 0.00 175.76 174.58 1imf s ALA 253 N 1.52 2.51 0.11 0.00 0.00 -0.20 -0.48 121.76 125.23 1imf s ALA 253 Ca 0.02 -1.77 0.10 0.00 0.00 0.00 0.00 51.96 50.31 1imf s ALA 253 Cb -0.18 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.71 1imf s ALA 253 CO 0.05 -0.32 1.44 -2.95 0.00 0.00 0.00 175.76 173.97 1imf h ASN 254 N 2.03 0.00 -5.01 0.00 -1.07 -1.58 -1.67 115.58 108.29 1imf h ASN 254 Ca -0.39 0.00 0.05 0.00 0.07 0.00 0.00 56.30 56.03 1imf h ASN 254 Cb 1.25 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 37.42 1imf h ASN 254 CO 0.65 0.76 0.28 0.54 0.07 0.00 0.00 177.43 179.73 1imf s ASN 255 N -6.67 -0.37 0.41 6.14 2.20 -1.26 -4.31 114.94 111.07 1imf s ASN 255 Ca 0.01 -0.31 0.10 0.00 -0.94 0.00 0.00 52.86 51.71 1imf s ASN 255 Cb 0.10 0.62 0.90 0.00 -2.00 0.00 0.00 41.25 40.88 1imf s ASN 255 CO 0.78 -1.10 2.00 -0.09 -2.94 0.00 0.00 177.10 175.75 1imf h ARG 256 N 2.00 0.53 0.47 3.55 9.65 -1.94 -1.21 114.38 127.43 1imf h ARG 256 Ca -0.25 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 1imf h ARG 256 Cb 1.27 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1imf h ARG 256 CO 0.29 0.35 -0.23 0.82 2.80 0.00 0.00 179.97 184.00 1imf h ILE 257 N 0.54 0.52 -0.79 1.20 2.04 -1.97 0.32 117.51 119.38 1imf h ILE 257 Ca 0.25 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1imf h ILE 257 Cb 0.29 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1imf h ILE 257 CO -0.07 0.03 0.39 0.25 0.00 0.00 0.00 178.15 178.75 1imf h LEU 258 N -0.73 1.02 -0.33 1.44 5.85 -1.79 -2.31 115.31 118.47 1imf h LEU 258 Ca -0.06 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1imf h LEU 258 Cb 0.53 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1imf h LEU 258 CO 0.11 0.86 0.18 0.00 -0.34 0.00 0.00 178.44 179.24 1imf h ALA 259 N 1.20 0.42 -0.02 1.25 0.00 -0.41 -1.78 119.26 119.93 1imf h ALA 259 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1imf h ALA 259 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1imf h ALA 259 CO -0.04 -0.04 -0.17 0.93 0.00 0.00 0.00 179.25 179.93 1imf h GLU 260 N 0.41 0.04 -0.32 0.00 5.08 -0.32 -0.85 114.58 118.62 1imf h GLU 260 Ca 0.12 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1imf h GLU 260 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1imf h GLU 260 CO -0.02 0.21 0.01 0.00 -1.00 0.00 0.00 179.01 178.21 1imf h ARG 261 N 0.03 0.55 -0.15 2.33 2.47 -0.77 0.10 114.38 118.95 1imf h ARG 261 Ca 0.01 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1imf h ARG 261 Cb 0.32 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1imf h ARG 261 CO 0.02 0.68 0.01 0.82 0.56 0.00 0.00 179.97 182.07 1imf h ILE 262 N 0.36 1.24 -0.46 2.04 2.04 -0.99 -2.83 117.51 118.90 1imf h ILE 262 Ca 0.09 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.26 1imf h ILE 262 Cb 0.43 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.88 1imf h ILE 262 CO 0.01 0.23 -0.20 0.00 0.00 0.00 0.00 178.15 178.20 1imf h ALA 263 N 0.78 0.15 0.00 1.87 0.00 -0.97 -1.08 119.26 120.01 1imf h ALA 263 Ca 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1imf h ALA 263 Cb 0.34 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1imf h ALA 263 CO 0.01 -0.54 -0.14 1.57 0.00 0.00 0.00 179.25 180.14 1imf h LYS 264 N -0.10 0.00 0.00 0.00 2.10 -0.66 -3.22 116.57 114.69 1imf h LYS 264 Ca 0.22 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.71 1imf h LYS 264 Cb 0.44 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1imf h LYS 264 CO -0.53 0.14 -1.61 -1.91 -2.00 0.00 0.00 179.45 173.55 1imf n GLU 265 N -3.56 0.63 -2.33 0.07 4.07 -0.45 -4.97 120.64 114.10 1imf n GLU 265 Ca -0.01 0.13 -0.25 0.00 -0.06 0.00 0.00 57.16 56.96 1imf n GLU 265 Cb 0.28 -1.73 0.11 0.00 -0.06 0.00 0.00 31.44 30.04 1imf n GLU 265 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1imf s ILE 266 N -2.97 2.19 0.01 6.31 -4.36 -0.97 -4.98 121.20 116.44 1imf s ILE 266 Ca -0.04 -0.37 0.07 0.00 -0.26 0.00 0.00 60.65 60.04 1imf s ILE 266 Cb 0.09 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 1imf s ILE 266 CO 0.83 0.00 -0.21 -1.10 0.24 0.00 0.00 174.94 174.70 1imf s GLN 267 N -5.31 1.57 0.52 0.37 -0.21 -1.26 -5.04 119.66 110.30 1imf s GLN 267 Ca 0.65 -0.82 -0.20 0.00 0.02 0.00 0.00 55.36 55.01 1imf s GLN 267 Cb -0.07 -1.58 -0.07 0.00 1.00 0.00 0.00 33.01 32.29 1imf s GLN 267 CO 0.46 0.42 1.12 0.08 -2.12 0.00 0.00 175.29 175.25 1imf s VAL 268 N -0.61 3.29 -0.29 1.09 1.01 -1.26 -4.99 120.40 118.64 1imf s VAL 268 Ca 0.08 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 1imf s VAL 268 Cb -0.08 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1imf s VAL 268 CO 0.00 -0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.36 1imf s ILE 269 N -1.77 3.48 0.22 2.22 1.01 -1.26 -5.08 121.20 120.01 1imf s ILE 269 Ca 0.70 -1.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 1imf s ILE 269 Cb -0.23 -2.86 -0.14 0.00 0.01 0.00 0.00 42.46 39.23 1imf s ILE 269 CO 0.27 0.02 1.28 -2.65 0.00 0.00 0.00 174.94 173.85 1imf n PRO 270 N 4.76 1.67 -3.69 2.79 -0.02 -1.26 -4.98 135.00 134.27 1imf n PRO 270 Ca -0.14 0.59 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1imf n PRO 270 Cb 0.46 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 1imf n PRO 270 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1imf s LEU 271 N 0.28 0.39 -0.36 2.45 1.02 -1.26 -5.12 118.68 116.08 1imf s LEU 271 Ca 0.69 0.28 -0.23 0.00 0.02 0.00 0.00 54.13 54.89 1imf s LEU 271 Cb -0.72 1.66 0.01 0.00 0.02 0.00 0.00 46.19 47.15 1imf s LEU 271 CO 0.52 -0.49 0.79 -1.58 0.02 0.00 0.00 176.35 175.61 1imf s GLN 272 N -1.27 3.78 0.57 1.70 0.74 -1.26 -5.02 119.66 118.90 1imf s GLN 272 Ca -0.13 0.36 -0.18 0.00 0.05 0.00 0.00 55.36 55.46 1imf s GLN 272 Cb -0.04 -3.80 -0.10 0.00 1.10 0.00 0.00 33.01 30.18 1imf s GLN 272 CO 0.06 -0.84 0.40 0.54 -0.55 0.00 0.00 175.29 174.90 1imf n ARG 273 N 6.42 0.40 0.30 1.67 1.74 -1.26 -4.85 116.66 121.07 1imf n ARG 273 Ca 0.03 0.16 0.17 0.00 -0.77 0.00 0.00 57.85 57.44 1imf n ARG 273 Cb 0.48 -1.58 0.92 0.00 -1.02 0.00 0.00 32.46 31.26 1imf n ARG 273 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1imf h ASP 274 N 0.14 0.00 -0.63 0.55 3.32 -1.55 -2.63 116.42 115.63 1imf h ASP 274 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1imf h ASP 274 Cb 1.40 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 1imf h ASP 274 CO 0.46 0.04 0.33 0.44 -1.72 0.00 0.00 179.24 178.78 1imf h ASP 275 N 0.00 0.80 -2.92 6.45 3.32 -1.71 -3.24 116.42 119.12 1imf h ASP 275 Ca -0.00 -0.11 -0.51 0.00 0.02 0.00 0.00 57.03 56.43 1imf h ASP 275 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1imf h ASP 275 CO 0.01 0.68 -0.23 -1.61 -1.72 0.00 0.00 179.24 176.37 1imf s GLU 276 N -5.79 3.54 0.00 3.56 0.41 -0.99 -4.77 118.70 114.66 1imf s GLU 276 Ca -0.13 -0.25 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 1imf s GLU 276 Cb 0.13 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1imf s GLU 276 CO 0.78 0.25 0.00 -3.47 -0.49 0.00 0.00 175.26 172.34