#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3din h THR 10 N 0.00 1.41 0.00 1.59 2.02 -2.02 -2.91 112.91 113.00 3din h THR 10 Ca 0.00 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 3din h THR 10 Cb 0.00 2.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3din h THR 10 CO 0.00 0.46 -0.16 0.40 0.37 0.00 0.00 175.52 176.58 3din h ILE 11 N -0.17 0.71 0.01 3.11 2.04 -1.96 0.90 117.51 122.17 3din h ILE 11 Ca -0.01 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3din h ILE 11 Cb 0.86 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3din h ILE 11 CO 0.05 0.16 -0.01 0.40 0.00 0.00 0.00 178.15 178.76 3din h ILE 12 N 0.00 1.41 0.13 -0.67 2.04 -1.99 -2.41 117.51 116.02 3din h ILE 12 Ca -0.00 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 3din h ILE 12 Cb 0.40 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3din h ILE 12 CO 0.02 0.46 -0.06 0.77 0.00 0.00 0.00 178.15 179.34 3din h SER 13 N -0.95 -0.14 0.26 1.72 4.64 -1.45 -2.71 113.55 114.92 3din h SER 13 Ca -0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3din h SER 13 Cb 0.76 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3din h SER 13 CO 0.00 0.19 -0.03 0.58 -0.87 0.00 0.00 176.83 176.70 3din h VAL 14 N -0.49 0.24 0.45 0.95 2.07 -0.99 -2.12 116.25 116.37 3din h VAL 14 Ca -0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3din h VAL 14 Cb 0.39 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3din h VAL 14 CO 0.03 0.03 -0.22 0.00 0.02 0.00 0.00 177.57 177.43 3din h ALA 15 N 1.97 -0.61 -0.57 1.67 0.00 -1.11 0.69 119.26 121.30 3din h ALA 15 Ca -0.00 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3din h ALA 15 Cb 0.17 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3din h ALA 15 CO 0.00 -0.78 0.40 -0.07 0.00 0.00 0.00 179.25 178.80 3din h LEU 16 N -0.72 0.09 -0.39 0.00 3.38 -1.20 0.22 115.31 116.70 3din h LEU 16 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3din h LEU 16 Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3din h LEU 16 CO 0.10 0.05 -0.78 0.40 0.09 0.00 0.00 178.44 178.30 3din h ILE 17 N 0.10 1.43 -0.70 1.22 2.04 -0.78 -2.69 117.51 118.13 3din h ILE 17 Ca 0.27 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 3din h ILE 17 Cb 0.94 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 3din h ILE 17 CO -0.03 0.69 0.39 1.88 0.00 0.00 0.00 178.15 181.08 3din h TYR 18 N 0.18 0.95 -0.35 1.37 0.99 0.37 -0.27 116.97 120.20 3din h TYR 18 Ca -0.04 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 3din h TYR 18 Cb 1.37 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.78 3din h TYR 18 CO 0.03 0.65 -0.14 0.52 -0.00 0.00 0.00 178.16 179.23 3din h MET 19 N 0.98 0.63 -0.48 4.88 2.86 -1.28 -2.43 114.93 120.10 3din h MET 19 Ca 0.25 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3din h MET 19 Cb 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3din h MET 19 CO -0.04 0.75 0.31 0.28 1.06 0.00 0.00 176.91 179.27 3din h VAL 20 N 0.57 1.13 -0.39 -2.22 2.07 -0.76 -0.97 116.25 115.68 3din h VAL 20 Ca 0.10 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3din h VAL 20 Cb 0.58 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3din h VAL 20 CO 0.04 0.12 0.27 -0.61 0.02 0.00 0.00 177.57 177.41 3din h GLN 21 N 0.65 0.11 -0.11 1.57 -0.00 -0.80 0.52 115.11 117.05 3din h GLN 21 Ca 0.17 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.71 3din h GLN 21 Cb -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 3din h GLN 21 CO -0.04 0.07 -0.41 0.28 0.00 0.00 0.00 178.83 178.74 3din h VAL 22 N 0.11 1.31 0.51 2.39 2.07 -0.81 -2.91 116.25 118.92 3din h VAL 22 Ca 0.18 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 3din h VAL 22 Cb 0.58 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3din h VAL 22 CO -0.02 0.45 -0.25 1.56 0.02 0.00 0.00 177.57 179.33 3din h GLN 23 N 0.20 -0.66 -0.15 1.57 4.20 -0.56 -0.42 115.11 119.28 3din h GLN 23 Ca 0.02 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3din h GLN 23 Cb 0.81 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3din h GLN 23 CO 0.06 -0.36 0.22 0.52 -0.67 0.00 0.00 178.83 178.61 3din h MET 24 N -1.03 0.00 0.09 1.46 2.86 -1.56 -2.00 114.93 114.75 3din h MET 24 Ca -0.07 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 3din h MET 24 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3din h MET 24 CO 0.12 0.00 -1.35 0.66 1.06 0.00 0.00 176.91 177.39 3din h SER 25 N 0.00 0.29 0.01 1.22 4.64 -1.43 -2.84 113.55 115.45 3din h SER 25 Ca 0.07 -0.81 -0.00 0.00 -0.47 0.00 0.00 61.79 60.58 3din h SER 25 Cb 0.52 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3din h SER 25 CO -0.00 1.58 -0.01 0.11 -0.87 0.00 0.00 176.83 177.64 3din h LYS 26 N -0.44 0.00 0.17 4.77 1.57 -0.60 -2.13 116.57 119.92 3din h LYS 26 Ca -0.30 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.16 3din h LYS 26 Cb 1.66 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.98 3din h LYS 26 CO 0.01 0.01 -1.50 0.74 -0.57 0.00 0.00 179.45 178.14 3din h PHE 27 N 0.00 0.65 -0.58 -1.35 0.05 -1.50 -3.10 116.94 111.10 3din h PHE 27 Ca -0.00 -0.48 0.17 0.00 3.82 0.00 0.00 57.97 61.48 3din h PHE 27 Cb 0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 3din h PHE 27 CO 0.00 1.46 0.49 1.03 -0.18 0.00 0.00 178.31 181.12 3din h SER 28 N 0.10 0.00 0.04 2.17 0.87 -1.12 0.17 113.55 115.78 3din h SER 28 Ca -0.24 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.06 3din h SER 28 Cb 2.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 3din h SER 28 CO 0.20 0.00 -1.37 -0.33 -0.53 0.00 0.00 176.83 174.81 3din h GLU 29 N 0.00 0.09 -0.50 2.24 5.08 -1.64 -0.97 114.58 118.88 3din h GLU 29 Ca 0.28 -0.16 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 3din h GLU 29 Cb 1.26 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 3din h GLU 29 CO -0.00 1.07 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.78 3din h LEU 30 N -0.68 -0.80 0.00 1.33 3.38 -1.20 -0.62 115.31 116.72 3din h LEU 30 Ca -0.34 0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3din h LEU 30 Cb 1.51 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 3din h LEU 30 CO -0.10 -0.25 -1.08 1.23 0.09 0.00 0.00 178.44 178.33 3din h GLY 31 N -0.12 0.00 -5.10 0.83 0.00 -1.18 -3.36 103.07 94.14 3din h GLY 31 Ca 0.23 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.04 3din h GLY 31 CO -0.57 0.00 3.11 0.61 0.00 0.00 0.00 176.54 179.69 3din n GLY 32 N 1.37 3.72 2.27 4.60 0.00 -0.24 -4.19 105.19 112.71 3din n GLY 32 Ca -0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 3din n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3din n ALA 33 N 3.74 3.02 -0.51 4.61 0.00 -1.22 -4.61 120.51 125.54 3din n ALA 33 Ca 0.63 -2.88 -0.06 0.00 0.00 0.00 0.00 53.44 51.13 3din n ALA 33 Cb 0.23 -0.72 0.21 0.00 0.00 0.00 0.00 19.45 19.18 3din n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3din n PHE 34 N -0.42 1.89 0.00 0.00 0.99 -1.26 -4.01 117.46 114.65 3din n PHE 34 Ca 0.14 -1.01 0.00 0.00 -0.00 0.00 0.00 57.45 56.58 3din n PHE 34 Cb 0.90 -0.58 0.00 0.00 -1.00 0.00 0.00 39.48 38.79 3din n PHE 34 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3din n GLY 35 N -0.13 0.00 2.88 1.37 0.00 -1.26 -5.14 105.19 102.91 3din n GLY 35 Ca 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 3din n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3din s SER 36 N 0.00 0.41 -0.48 1.61 1.04 -1.26 -4.58 113.70 110.46 3din s SER 36 Ca 0.00 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3din s SER 36 Cb 0.00 -0.13 0.21 0.00 0.10 0.00 0.00 66.02 66.20 3din s SER 36 CO 0.00 -0.02 0.71 0.61 0.98 0.00 0.00 173.24 175.52 3din n GLY 37 N 3.49 0.47 6.66 7.32 0.00 -1.26 -4.58 105.19 117.30 3din n GLY 37 Ca -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3din n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 38 N 2.24 0.27 1.68 -0.02 0.00 -1.26 -0.40 105.19 107.71 3din n GLY 38 Ca 0.17 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 3din n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3din n LEU 39 N 0.00 5.40 -4.45 0.99 4.77 -1.26 -5.01 117.00 117.44 3din n LEU 39 Ca 0.00 -3.64 -0.30 0.00 -0.03 0.00 0.00 56.01 52.04 3din n LEU 39 Cb 0.00 -0.73 0.26 0.00 -2.33 0.00 0.00 43.42 40.62 3din n LEU 39 CO 0.00 1.12 0.52 -1.00 -1.33 0.00 0.00 177.39 176.69 3din s HIS 40 N -3.24 0.09 -0.34 -1.77 3.76 0.47 -5.05 115.29 109.21 3din s HIS 40 Ca 0.51 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 3din s HIS 40 Cb 0.44 -3.17 0.14 0.00 1.11 0.00 0.00 32.58 31.10 3din s HIS 40 CO 0.06 -4.37 0.26 0.95 -0.85 0.00 0.00 174.74 170.79 3din s THR 41 N -2.63 -0.10 -0.31 1.30 -4.23 -1.26 -4.86 115.64 103.55 3din s THR 41 Ca 0.70 -1.20 -0.03 0.00 -1.18 0.00 0.00 61.69 59.98 3din s THR 41 Cb -0.13 -0.95 0.11 0.00 1.34 0.00 0.00 72.50 72.88 3din s THR 41 CO 0.58 -0.77 0.16 -0.69 -0.54 0.00 0.00 174.62 173.36 3din s VAL 42 N 1.50 -0.01 -0.13 2.29 1.01 -1.26 -4.95 120.40 118.84 3din s VAL 42 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3din s VAL 42 Cb -0.19 -1.02 0.12 0.00 0.00 0.00 0.00 36.38 35.30 3din s VAL 42 CO -0.10 -0.81 1.66 2.22 0.00 0.00 0.00 175.10 178.06 3din n PHE 43 N 4.84 0.72 -1.54 5.22 1.16 -1.26 -4.89 117.46 121.71 3din n PHE 43 Ca 0.00 -1.17 -0.24 0.00 -1.87 0.00 0.00 57.45 54.17 3din n PHE 43 Cb 0.40 -0.58 -0.08 0.00 -1.61 0.00 0.00 39.48 37.61 3din n PHE 43 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3din n GLY 44 N 0.59 -0.12 0.00 4.97 0.00 -1.26 -4.94 105.19 104.44 3din n GLY 44 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3din n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3din n ARG 45 N 8.44 3.45 -0.60 1.61 5.12 -1.26 -4.29 116.66 129.13 3din n ARG 45 Ca 0.48 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.38 3din n ARG 45 Cb 0.40 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.69 3din n ARG 45 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3din n ARG 46 N 0.00 -1.72 -3.46 5.56 0.00 -1.26 -4.76 116.66 111.01 3din n ARG 46 Ca 0.00 0.23 0.01 0.00 -0.00 0.00 0.00 57.85 58.09 3din n ARG 46 Cb 0.00 -3.68 -0.05 0.00 -0.00 0.00 0.00 32.46 28.73 3din n ARG 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3din s LYS 47 N -1.25 0.28 0.00 2.89 2.20 -1.26 -5.14 119.74 117.45 3din s LYS 47 Ca 0.00 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 3din s LYS 47 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3din s LYS 47 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 3din n GLY 48 N 4.47 2.46 2.65 5.54 0.00 -1.26 -5.01 105.19 114.03 3din n GLY 48 Ca -0.12 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 3din n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3din s LEU 49 N 0.00 -0.54 -0.42 0.99 1.43 -1.26 -5.03 118.68 113.86 3din s LEU 49 Ca 0.00 -2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 50.79 3din s LEU 49 Cb 0.00 1.15 0.02 0.00 0.03 0.00 0.00 46.19 47.39 3din s LEU 49 CO 0.00 -0.09 0.54 0.47 0.23 0.00 0.00 176.35 177.50 3din n ASP 50 N 2.93 -7.84 -4.14 2.29 8.00 -1.26 -4.91 116.55 111.62 3din n ASP 50 Ca 0.22 0.59 -0.38 0.00 0.71 0.00 0.00 54.79 55.93 3din n ASP 50 Cb 0.53 -5.19 0.01 0.00 -0.02 0.00 0.00 41.12 36.46 3din n ASP 50 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3din n THR 51 N -0.19 0.00 0.77 -3.53 -1.04 -1.26 -4.80 114.28 104.24 3din n THR 51 Ca 0.10 -0.49 0.09 0.00 -2.04 0.00 0.00 64.05 61.71 3din n THR 51 Cb 0.43 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 69.38 3din n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3din n GLY 52 N 2.43 -1.03 1.09 3.41 0.00 -1.26 -1.42 105.19 108.42 3din n GLY 52 Ca 0.08 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3din n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 53 N 0.38 1.72 0.00 -0.02 0.00 -1.26 -4.18 105.19 101.83 3din n GLY 53 Ca 0.07 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.48 3din n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3din n LYS 54 N 1.39 0.10 0.18 1.61 5.02 -0.50 -1.07 118.16 124.88 3din n LYS 54 Ca 0.18 0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.67 3din n LYS 54 Cb 0.58 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.41 3din n LYS 54 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3din h ILE 55 N 0.00 1.14 -0.11 -0.18 2.04 -1.78 -0.88 117.51 117.73 3din h ILE 55 Ca 0.00 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 3din h ILE 55 Cb 0.26 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3din h ILE 55 CO 0.00 0.42 -0.12 0.74 0.00 0.00 0.00 178.15 179.19 3din h THR 56 N 0.00 1.37 -0.08 -0.27 2.02 -1.41 -1.93 112.91 112.60 3din h THR 56 Ca -0.00 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 65.89 3din h THR 56 Cb 0.85 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 3din h THR 56 CO 0.06 0.37 -0.53 0.25 0.37 0.00 0.00 175.52 176.04 3din h LEU 57 N -0.14 -1.66 -1.97 2.58 6.46 -1.24 0.63 115.31 119.96 3din h LEU 57 Ca 0.01 0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3din h LEU 57 Cb 0.66 0.64 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3din h LEU 57 CO 0.03 -0.49 0.04 0.58 -0.62 0.00 0.00 178.44 177.99 3din h VAL 58 N -0.60 0.99 -0.10 1.05 2.07 -1.24 0.25 116.25 118.67 3din h VAL 58 Ca 0.02 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 3din h VAL 58 Cb 0.68 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3din h VAL 58 CO -0.40 0.01 -0.36 0.25 0.02 0.00 0.00 177.57 177.09 3din h LEU 59 N 0.04 0.21 0.06 2.57 5.85 -0.27 -2.58 115.31 121.18 3din h LEU 59 Ca 0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3din h LEU 59 Cb 0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3din h LEU 59 CO -0.00 0.56 -0.03 -1.28 -0.34 0.00 0.00 178.44 177.35 3din h SER 60 N 0.18 -0.07 -1.01 1.25 0.87 0.12 -1.49 113.55 113.40 3din h SER 60 Ca 0.02 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.81 3din h SER 60 Cb 0.72 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.58 3din h SER 60 CO 0.05 0.01 0.60 -0.37 -0.53 0.00 0.00 176.83 176.60 3din h VAL 61 N -0.19 0.59 -0.36 2.23 -1.51 -1.58 0.77 116.25 116.20 3din h VAL 61 Ca -0.01 -0.22 -0.08 0.00 -1.23 0.00 0.00 66.70 65.16 3din h VAL 61 Cb 0.06 -0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.11 3din h VAL 61 CO 0.01 0.12 -0.12 0.25 -1.23 0.00 0.00 177.57 176.59 3din h LEU 62 N 0.63 0.62 -1.06 4.19 5.85 -1.57 -2.63 115.31 121.34 3din h LEU 62 Ca 0.62 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 3din h LEU 62 Cb 1.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3din h LEU 62 CO -0.44 0.77 0.49 -0.26 -0.34 0.00 0.00 178.44 178.66 3din h PHE 63 N 0.58 1.10 0.00 1.25 -1.00 0.17 -1.60 116.94 117.44 3din h PHE 63 Ca 0.10 -0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.70 3din h PHE 63 Cb 0.55 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3din h PHE 63 CO 0.02 0.74 -1.03 0.74 -1.61 0.00 0.00 178.31 177.18 3din h PHE 64 N 1.15 0.00 0.00 -0.55 -1.00 -1.24 -2.42 116.94 112.88 3din h PHE 64 Ca 0.30 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 3din h PHE 64 Cb -0.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 3din h PHE 64 CO 0.01 0.74 -0.13 -0.39 -1.61 0.00 0.00 178.31 176.93 3din h VAL 65 N 0.00 0.27 -0.20 -0.55 -1.51 -1.36 -2.72 116.25 110.18 3din h VAL 65 Ca -0.08 -1.00 -0.19 0.00 -1.23 0.00 0.00 66.70 64.20 3din h VAL 65 Cb 1.64 1.81 0.01 0.00 -2.13 0.00 0.00 31.29 32.61 3din h VAL 65 CO 0.08 0.12 -0.61 0.28 -1.23 0.00 0.00 177.57 176.22 3din h SER 66 N 0.00 0.88 0.53 4.19 0.02 -1.19 -2.36 113.55 115.63 3din h SER 66 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3din h SER 66 Cb 0.80 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3din h SER 66 CO 0.02 1.32 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 3din h VAL 68 N 0.00 0.00 -0.58 0.00 2.07 -1.15 -2.08 116.25 114.50 3din h VAL 68 Ca 0.00 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3din h VAL 68 Cb 0.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3din h VAL 68 CO 0.00 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.29 3din h VAL 69 N -0.84 1.24 -0.29 2.57 2.07 -1.51 -2.96 116.25 116.53 3din h VAL 69 Ca -0.04 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 3din h VAL 69 Cb 0.33 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3din h VAL 69 CO 0.07 0.33 -0.35 0.74 0.02 0.00 0.00 177.57 178.38 3din h THR 70 N 0.88 1.29 0.11 2.57 2.02 -1.58 -2.92 112.91 115.27 3din h THR 70 Ca 0.19 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 3din h THR 70 Cb 0.34 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3din h THR 70 CO 0.00 0.48 -0.05 0.00 0.37 0.00 0.00 175.52 176.32 3din h ALA 71 N 1.07 -0.15 -0.95 6.16 0.00 -1.30 -3.44 119.26 120.65 3din h ALA 71 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3din h ALA 71 Cb 0.86 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3din h ALA 71 CO 0.07 -0.29 0.00 0.34 0.00 0.00 0.00 179.25 179.38 3din n PHE 72 N -4.90 0.00 1.11 0.00 7.35 -1.13 -5.11 117.46 114.79 3din n PHE 72 Ca -0.08 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.70 3din n PHE 72 Cb 0.28 -0.02 0.53 0.00 0.35 0.00 0.00 39.48 40.62 3din n PHE 72 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28