#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jml n SER -1 N 0.00 -0.60 -4.24 1.61 7.64 -1.26 -5.20 113.62 111.58 2jml n SER -1 Ca 0.00 -2.45 -0.16 0.00 1.01 0.00 0.00 58.87 57.27 2jml n SER -1 Cb 0.00 1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 64.39 2jml n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2jml s HIS 0 N -3.08 1.32 -0.04 1.43 0.00 -1.26 -5.18 115.29 108.49 2jml s HIS 0 Ca 0.26 -0.64 -0.29 0.00 -3.00 0.00 0.00 55.06 51.39 2jml s HIS 0 Cb 0.01 -0.68 0.09 0.00 -4.00 0.00 0.00 32.58 28.00 2jml s HIS 0 CO 0.18 0.12 0.79 1.41 -1.00 0.00 0.00 174.74 176.24 2jml s MET 1 N -3.11 0.93 0.18 -0.38 -2.45 -1.26 -5.21 119.30 108.00 2jml s MET 1 Ca 0.12 0.00 -0.23 0.00 -1.25 0.00 0.00 55.69 54.33 2jml s MET 1 Cb -0.02 0.43 0.07 0.00 1.25 0.00 0.00 34.83 36.56 2jml s MET 1 CO 0.02 -0.34 0.99 0.99 1.05 0.00 0.00 175.02 177.73 2jml s THR 2 N -1.95 0.00 0.15 10.11 2.01 -1.26 -5.17 115.64 119.52 2jml s THR 2 Ca -0.04 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2jml s THR 2 Cb -0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2jml s THR 2 CO 0.00 0.00 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.07 2jml s LEU 3 N -3.12 2.53 0.43 4.42 2.01 -1.26 -5.05 118.68 118.63 2jml s LEU 3 Ca 0.16 -1.00 0.06 0.00 0.01 0.00 0.00 54.13 53.36 2jml s LEU 3 Cb -0.02 -0.37 -0.06 0.00 0.01 0.00 0.00 46.19 45.75 2jml s LEU 3 CO 0.04 -0.31 0.04 -0.13 1.01 0.00 0.00 176.35 177.00 2jml s ARG 4 N -3.69 2.05 0.25 1.70 0.52 -1.26 -1.28 118.95 117.24 2jml s ARG 4 Ca 0.17 -2.12 -0.03 0.00 -0.52 0.00 0.00 55.73 53.22 2jml s ARG 4 Cb 0.02 -1.68 0.41 0.00 0.52 0.00 0.00 34.95 34.22 2jml s ARG 4 CO 0.01 -0.13 1.83 0.97 0.02 0.00 0.00 175.30 178.00 2jml h ILE 5 N 1.62 0.95 -1.00 1.52 -0.00 -1.92 0.12 117.51 118.79 2jml h ILE 5 Ca -0.44 -0.31 0.22 0.00 -0.00 0.00 0.00 64.86 64.34 2jml h ILE 5 Cb 1.26 -0.02 -0.10 0.00 -0.00 0.00 0.00 36.82 37.95 2jml h ILE 5 CO 0.78 0.16 0.62 0.08 -0.00 0.00 0.00 178.15 179.79 2jml h ARG 6 N 0.89 0.59 -0.02 2.19 0.11 -1.97 0.11 114.38 116.29 2jml h ARG 6 Ca 0.41 -0.04 -0.25 0.00 0.10 0.00 0.00 59.98 60.21 2jml h ARG 6 Cb 0.33 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.29 2jml h ARG 6 CO -0.23 0.39 -0.98 1.15 0.10 0.00 0.00 179.97 180.40 2jml h THR 7 N 0.61 1.31 0.16 0.08 2.02 -1.40 -2.10 112.91 113.58 2jml h THR 7 Ca 0.59 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 2jml h THR 7 Cb 1.13 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 2jml h THR 7 CO -0.36 0.69 -0.12 0.40 0.37 0.00 0.00 175.52 176.51 2jml h ILE 8 N 0.37 0.74 -0.91 3.11 2.04 -0.41 -3.06 117.51 119.39 2jml h ILE 8 Ca -0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2jml h ILE 8 Cb 1.62 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2jml h ILE 8 CO 0.19 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.93 2jml h ALA 9 N 0.55 1.19 -0.31 1.87 0.00 -0.89 -2.47 119.26 119.20 2jml h ALA 9 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2jml h ALA 9 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jml h ALA 9 CO -0.01 0.47 0.55 0.07 0.00 0.00 0.00 179.25 180.34 2jml h ARG 10 N 1.16 0.00 -1.00 0.00 0.11 -1.27 0.13 114.38 113.51 2jml h ARG 10 Ca 0.36 0.00 0.25 0.00 0.10 0.00 0.00 59.98 60.68 2jml h ARG 10 Cb -0.03 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 30.97 2jml h ARG 10 CO -0.11 0.00 0.66 0.52 0.10 0.00 0.00 179.97 181.14 2jml h MET 11 N 0.00 0.35 0.00 0.08 2.86 -1.49 -3.36 114.93 113.37 2jml h MET 11 Ca 0.15 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2jml h MET 11 Cb 1.25 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2jml h MET 11 CO -0.00 0.23 0.00 0.25 1.06 0.00 0.00 176.91 178.45 2jml n THR 12 N -4.54 0.00 0.00 2.22 -2.24 -0.89 -5.03 114.28 103.80 2jml n THR 12 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2jml n THR 12 Cb 0.84 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jml n GLY 13 N 0.00 0.68 0.35 3.38 0.00 0.39 -4.72 105.19 105.27 2jml n GLY 13 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2jml n GLY 13 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2jml h ILE 14 N 0.00 0.99 0.00 -0.61 -0.00 -1.96 0.42 117.51 116.34 2jml h ILE 14 Ca 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 64.86 64.60 2jml h ILE 14 Cb 0.00 0.27 -0.00 0.00 -0.00 0.00 0.00 36.82 37.08 2jml h ILE 14 CO 0.00 0.12 -0.15 0.03 -0.00 0.00 0.00 178.15 178.15 2jml h ARG 15 N 0.67 0.00 -0.23 0.16 -0.00 -1.84 -3.33 114.38 109.81 2jml h ARG 15 Ca 0.30 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.84 2jml h ARG 15 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.21 2jml h ARG 15 CO -0.10 0.15 -0.37 1.49 0.00 0.00 0.00 179.97 181.14 2jml h GLU 16 N 0.00 -0.37 -0.87 0.04 4.22 -1.15 0.10 114.58 116.55 2jml h GLU 16 Ca -0.00 0.03 0.25 0.00 0.08 0.00 0.00 59.36 59.71 2jml h GLU 16 Cb 0.43 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2jml h GLU 16 CO 0.02 -0.25 0.62 0.00 -2.18 0.00 0.00 179.01 177.22 2jml h ALA 17 N 0.40 2.77 0.17 2.92 0.00 -1.74 0.35 119.26 124.13 2jml h ALA 17 Ca 0.11 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 2jml h ALA 17 Cb 0.58 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.44 2jml h ALA 17 CO -0.44 -1.02 -1.24 0.00 0.00 0.00 0.00 179.25 176.55 2jml h THR 18 N 0.04 1.27 0.42 0.00 1.03 -1.13 -3.08 112.91 111.46 2jml h THR 18 Ca 0.42 -2.54 -0.02 0.00 -0.01 0.00 0.00 66.41 64.26 2jml h THR 18 Cb 1.62 2.99 0.00 0.00 -1.07 0.00 0.00 68.15 71.69 2jml h THR 18 CO -0.02 0.75 -0.20 -0.07 -0.01 0.00 0.00 175.52 175.97 2jml h LEU 19 N -0.17 -0.48 -1.83 0.00 3.38 1.00 0.13 115.31 117.34 2jml h LEU 19 Ca -0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2jml h LEU 19 Cb 1.86 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 2jml h LEU 19 CO 0.16 -0.21 -0.11 0.08 0.09 0.00 0.00 178.44 178.45 2jml h ARG 20 N -0.73 0.00 0.30 1.13 0.11 -1.22 -0.54 114.38 113.44 2jml h ARG 20 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2jml h ARG 20 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2jml h ARG 20 CO 0.09 0.11 -0.15 0.00 0.10 0.00 0.00 179.97 180.12 2jml h ALA 21 N 1.89 -0.41 -0.90 0.08 0.00 -1.41 -3.19 119.26 115.32 2jml h ALA 21 Ca -0.00 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 21 Cb 0.19 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2jml h ALA 21 CO 0.01 -0.61 0.58 -1.49 0.00 0.00 0.00 179.25 177.75 2jml h TRP 22 N -0.66 0.86 -0.93 0.00 6.55 -0.06 0.16 115.95 121.88 2jml h TRP 22 Ca -0.04 0.02 0.23 0.00 0.95 0.00 0.00 58.89 60.06 2jml h TRP 22 Cb 0.46 -0.27 -0.13 0.00 -0.86 0.00 0.00 29.16 28.36 2jml h TRP 22 CO 0.01 0.32 0.44 1.49 -1.05 0.00 0.00 178.44 179.65 2jml h GLU 23 N 0.73 0.41 0.00 0.49 4.81 -1.11 0.35 114.58 120.27 2jml h GLU 23 Ca 0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2jml h GLU 23 Cb 0.68 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jml h GLU 23 CO -0.21 0.27 -1.04 0.54 -0.73 0.00 0.00 179.01 177.84 2jml n ARG 24 N -5.02 0.33 -0.08 1.92 1.74 -0.08 -4.14 116.66 111.34 2jml n ARG 24 Ca 0.24 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.26 2jml n ARG 24 Cb 0.70 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 30.39 2jml n ARG 24 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jml n ARG 25 N -2.05 1.09 0.00 5.56 0.63 0.37 -4.91 116.66 117.36 2jml n ARG 25 Ca 0.02 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2jml n ARG 25 Cb 0.45 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2jml n ARG 25 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jml n TYR 26 N -2.57 -0.16 0.00 -0.14 4.01 0.52 -5.00 117.16 113.81 2jml n TYR 26 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2jml n TYR 26 Cb 0.99 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 2jml n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jml n GLY 27 N -0.01 0.53 3.78 2.72 0.00 0.94 -5.00 105.19 108.15 2jml n GLY 27 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2jml n GLY 27 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jml s PHE 28 N -2.00 3.78 0.35 1.61 2.19 -1.26 -2.26 117.98 120.39 2jml s PHE 28 Ca 0.00 1.67 -0.28 0.00 0.33 0.00 0.00 56.93 58.65 2jml s PHE 28 Cb 0.00 -2.82 -0.10 0.00 -1.31 0.00 0.00 43.02 38.79 2jml s PHE 28 CO 0.00 0.35 1.35 -1.25 1.83 0.00 0.00 175.22 177.50 2jml s PRO 29 N -1.68 4.24 -0.45 10.12 0.04 -1.26 -4.35 135.00 141.66 2jml s PRO 29 Ca 0.43 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.52 2jml s PRO 29 Cb -0.20 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2jml s PRO 29 CO 0.25 -0.32 0.88 -0.98 0.04 0.00 0.00 177.00 176.87 2jml s ARG 30 N -1.93 3.53 -0.31 4.56 1.70 -0.96 -4.93 118.95 120.60 2jml s ARG 30 Ca 0.51 0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.61 2jml s ARG 30 Cb -0.41 -3.92 -0.04 0.00 -0.57 0.00 0.00 34.95 30.01 2jml s ARG 30 CO 0.55 -1.15 2.09 -1.25 -1.08 0.00 0.00 175.30 174.45 2jml s PRO 31 N 3.57 3.02 0.81 3.89 0.04 -1.26 -4.92 135.00 140.14 2jml s PRO 31 Ca 0.35 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2jml s PRO 31 Cb -0.11 -4.35 0.08 0.00 0.04 0.00 0.00 34.50 30.16 2jml s PRO 31 CO 0.24 -2.23 1.10 -0.48 0.04 0.00 0.00 177.00 175.68 2jml s LEU 32 N 8.44 2.95 1.06 -3.56 2.34 -0.67 -4.80 118.68 124.45 2jml s LEU 32 Ca 0.92 1.89 -0.13 0.00 0.06 0.00 0.00 54.13 56.86 2jml s LEU 32 Cb -0.26 -4.50 0.17 0.00 -0.56 0.00 0.00 46.19 41.04 2jml s LEU 32 CO 0.33 -2.30 0.73 0.54 -1.06 0.00 0.00 176.35 174.58 2jml n ARG 33 N -3.70 -1.41 -2.83 1.48 1.74 -1.26 -3.03 116.66 107.66 2jml n ARG 33 Ca 0.10 -0.37 -0.06 0.00 -0.77 0.00 0.00 57.85 56.75 2jml n ARG 33 Cb 0.53 -2.07 0.02 0.00 -1.02 0.00 0.00 32.46 29.92 2jml n ARG 33 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jml n SER 34 N -3.46 -1.51 -3.08 0.55 7.64 -1.26 -4.55 113.62 107.95 2jml n SER 34 Ca 0.05 -2.04 -0.16 0.00 1.01 0.00 0.00 58.87 57.73 2jml n SER 34 Cb 0.55 2.51 0.14 0.00 -1.01 0.00 0.00 64.21 66.40 2jml n SER 34 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jml n GLU 35 N -0.35 -2.34 0.00 1.43 2.13 -1.25 -5.00 120.64 115.26 2jml n GLU 35 Ca -0.06 -0.93 0.00 0.00 0.66 0.00 0.00 57.16 56.83 2jml n GLU 35 Cb 0.39 -0.90 0.00 0.00 0.27 0.00 0.00 31.44 31.20 2jml n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jml n GLY 36 N -1.66 -2.45 0.20 8.31 0.00 -1.26 -3.82 105.19 104.51 2jml n GLY 36 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2jml n GLY 36 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2jml h ASN 37 N 0.00 0.00 -1.64 1.61 -1.07 -2.08 -3.43 115.58 108.97 2jml h ASN 37 Ca 0.00 -0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.90 2jml h ASN 37 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 2jml h ASN 37 CO 0.00 0.00 1.16 0.21 0.07 0.00 0.00 177.43 178.87 2jml s ASN 38 N -5.92 5.55 0.86 6.14 2.47 -1.25 -4.98 114.94 117.81 2jml s ASN 38 Ca 0.07 -0.27 -0.15 0.00 0.42 0.00 0.00 52.86 52.93 2jml s ASN 38 Cb 0.06 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 2jml s ASN 38 CO 0.67 -2.27 0.24 -1.22 -3.72 0.00 0.00 177.10 170.80 2jml n TYR 39 N 11.96 -1.88 -1.63 0.43 4.01 -1.26 -3.75 117.16 125.04 2jml n TYR 39 Ca 0.23 0.24 -0.41 0.00 -0.16 0.00 0.00 57.90 57.80 2jml n TYR 39 Cb 0.50 -1.77 0.01 0.00 -0.31 0.00 0.00 39.34 37.77 2jml n TYR 39 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jml n ARG 40 N -0.59 1.42 -3.50 -0.72 1.74 -1.26 -4.87 116.66 108.88 2jml n ARG 40 Ca 0.07 0.51 -0.17 0.00 -0.77 0.00 0.00 57.85 57.49 2jml n ARG 40 Cb 0.52 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 29.82 2jml n ARG 40 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2jml n VAL 41 N -0.50 0.00 -4.30 1.55 0.24 -1.17 -4.63 118.33 109.52 2jml n VAL 41 Ca 0.09 -1.43 -0.16 0.00 -2.04 0.00 0.00 64.34 60.81 2jml n VAL 41 Cb 0.40 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 2jml n VAL 41 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2jml s TYR 42 N -2.32 1.43 0.27 6.34 1.51 -0.41 -1.67 117.35 122.51 2jml s TYR 42 Ca 0.08 -0.94 0.11 0.00 -1.01 0.00 0.00 57.07 55.31 2jml s TYR 42 Cb 0.00 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 2jml s TYR 42 CO 0.05 -0.09 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.14 2jml s SER 43 N -3.25 3.87 0.33 2.29 0.01 -1.26 -4.44 113.70 111.23 2jml s SER 43 Ca 0.26 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2jml s SER 43 Cb 0.06 -0.46 0.61 0.00 0.21 0.00 0.00 66.02 66.44 2jml s SER 43 CO 0.07 0.03 1.94 -0.09 0.41 0.00 0.00 173.24 175.60 2jml h ARG 44 N 2.20 0.90 -0.92 12.44 9.65 -2.00 -1.57 114.38 135.07 2jml h ARG 44 Ca -0.42 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2jml h ARG 44 Cb 1.25 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 2jml h ARG 44 CO 0.60 0.59 0.52 1.05 2.80 0.00 0.00 179.97 185.53 2jml h GLU 45 N 0.92 1.27 0.12 0.20 4.11 -1.98 0.31 114.58 119.54 2jml h GLU 45 Ca 0.35 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.64 2jml h GLU 45 Cb 0.19 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jml h GLU 45 CO -0.12 0.92 -0.06 0.93 0.07 0.00 0.00 179.01 180.75 2jml h GLU 46 N 1.28 -0.16 -0.54 1.06 4.39 -1.78 -2.50 114.58 116.33 2jml h GLU 46 Ca 0.33 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.11 2jml h GLU 46 Cb -0.00 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2jml h GLU 46 CO -0.06 0.19 0.36 0.28 -1.16 0.00 0.00 179.01 178.63 2jml h VAL 47 N -0.53 0.96 0.73 3.13 2.07 -1.16 0.11 116.25 121.54 2jml h VAL 47 Ca -0.02 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2jml h VAL 47 Cb 0.43 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2jml h VAL 47 CO 0.03 0.08 -0.49 -0.08 0.02 0.00 0.00 177.57 177.13 2jml h GLU 48 N 0.45 -1.11 -0.23 1.57 4.57 -0.28 0.19 114.58 119.74 2jml h GLU 48 Ca 0.24 0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.54 2jml h GLU 48 Cb 0.36 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 2jml h GLU 48 CO -0.06 -0.74 -0.06 0.00 -1.18 0.00 0.00 179.01 176.96 2jml h ALA 49 N -1.13 0.14 -0.28 2.92 0.00 -1.04 -1.96 119.26 117.91 2jml h ALA 49 Ca -0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 49 Cb 0.94 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2jml h ALA 49 CO 0.07 -0.48 0.09 0.28 0.00 0.00 0.00 179.25 179.21 2jml h VAL 50 N -0.01 0.91 -0.41 0.00 2.07 -0.72 0.22 116.25 118.32 2jml h VAL 50 Ca 0.11 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2jml h VAL 50 Cb 0.18 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2jml h VAL 50 CO -0.24 0.04 0.08 0.03 0.02 0.00 0.00 177.57 177.49 2jml h ARG 51 N 0.21 0.20 0.85 1.57 3.08 -0.45 0.27 114.38 120.11 2jml h ARG 51 Ca 0.13 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2jml h ARG 51 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2jml h ARG 51 CO -0.14 0.13 -0.48 -0.09 -1.07 0.00 0.00 179.97 178.32 2jml h ARG 52 N 0.20 -1.19 -0.30 0.04 2.43 -0.78 -1.77 114.38 113.01 2jml h ARG 52 Ca 0.20 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 2jml h ARG 52 Cb 0.24 0.27 -0.08 0.00 -0.42 0.00 0.00 29.97 29.98 2jml h ARG 52 CO -0.26 -0.79 -0.37 0.28 -1.51 0.00 0.00 179.97 177.31 2jml h VAL 53 N -1.24 0.19 -0.99 0.20 2.07 -0.37 0.62 116.25 116.74 2jml h VAL 53 Ca -0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2jml h VAL 53 Cb 0.98 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 2jml h VAL 53 CO 0.14 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.35 2jml h ALA 54 N 0.49 1.45 -0.39 1.67 0.00 -0.48 0.27 119.26 122.27 2jml h ALA 54 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jml h ALA 54 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jml h ALA 54 CO -0.49 0.26 -0.03 -0.09 0.00 0.00 0.00 179.25 178.90 2jml h ARG 55 N 1.01 0.71 -0.88 0.00 9.65 -0.58 -2.95 114.38 121.34 2jml h ARG 55 Ca 0.47 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 2jml h ARG 55 Cb 0.41 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.88 2jml h ARG 55 CO -0.25 0.82 0.58 1.25 2.80 0.00 0.00 179.97 185.17 2jml h LEU 56 N 0.52 0.95 -1.07 3.80 7.12 0.42 -1.75 115.31 125.30 2jml h LEU 56 Ca 0.11 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.16 2jml h LEU 56 Cb 0.52 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.37 2jml h LEU 56 CO 0.03 0.65 0.62 0.40 -0.13 0.00 0.00 178.44 180.01 2jml h ILE 57 N 1.10 1.11 0.00 4.05 5.03 -0.46 -1.48 117.51 126.85 2jml h ILE 57 Ca 0.35 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 2jml h ILE 57 Cb 0.02 -0.14 0.00 0.00 -3.03 0.00 0.00 36.82 33.67 2jml h ILE 57 CO -0.10 0.21 0.00 1.56 -0.68 0.00 0.00 178.15 179.13 2jml h GLN 58 N 1.14 0.00 0.18 2.37 1.08 -1.14 -0.50 115.11 118.24 2jml h GLN 58 Ca 0.40 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.27 2jml h GLN 58 Cb 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2jml h GLN 58 CO -0.15 0.00 -1.68 0.93 -0.95 0.00 0.00 178.83 176.98 2jml h GLU 59 N 0.00 0.38 0.00 1.46 5.08 -1.27 -3.46 114.58 116.76 2jml h GLU 59 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2jml h GLU 59 Cb 0.10 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jml h GLU 59 CO 0.00 1.31 0.00 0.39 -1.00 0.00 0.00 179.01 179.71 2jml n GLU 60 N -3.66 0.00 0.00 2.33 1.02 -1.05 -5.06 120.64 114.22 2jml n GLU 60 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2jml n GLU 60 Cb 1.05 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jml n GLY 61 N 0.05 2.83 0.40 0.62 0.00 -0.22 -4.86 105.19 104.01 2jml n GLY 61 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 2jml n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jml h LEU 62 N 0.00 0.49 -0.46 0.99 5.85 -1.90 -0.05 115.31 120.22 2jml h LEU 62 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jml h LEU 62 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jml h LEU 62 CO 0.00 0.10 0.19 -1.20 -0.34 0.00 0.00 178.44 177.18 2jml n SER 63 N -4.66 0.18 0.05 1.25 7.64 -1.26 -0.81 113.62 116.01 2jml n SER 63 Ca 0.25 0.47 -0.08 0.00 1.01 0.00 0.00 58.87 60.52 2jml n SER 63 Cb 0.85 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 2jml n SER 63 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2jml h VAL 64 N 0.00 0.00 0.16 0.44 2.07 -1.32 -0.45 116.25 117.15 2jml h VAL 64 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 2jml h VAL 64 Cb 0.37 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2jml h VAL 64 CO 0.00 0.00 -1.30 -1.28 0.02 0.00 0.00 177.57 175.01 2jml h SER 65 N -0.37 0.72 0.66 0.57 0.87 -1.20 -3.20 113.55 111.60 2jml h SER 65 Ca -0.00 -0.72 -0.03 0.00 -1.23 0.00 0.00 61.79 59.81 2jml h SER 65 Cb 0.38 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2jml h SER 65 CO -0.15 1.54 -0.32 -0.33 -0.53 0.00 0.00 176.83 177.05 2jml h GLU 66 N 0.18 -0.85 0.00 2.24 4.39 -1.25 -0.30 114.58 118.98 2jml h GLU 66 Ca -0.19 0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2jml h GLU 66 Cb 1.99 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.82 2jml h GLU 66 CO 0.24 -0.57 -0.28 0.00 -1.16 0.00 0.00 179.01 177.24 2jml h ALA 67 N -1.42 1.13 0.42 3.43 0.00 -1.25 0.23 119.26 121.80 2jml h ALA 67 Ca -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2jml h ALA 67 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jml h ALA 67 CO 0.15 0.35 -0.20 0.82 0.00 0.00 0.00 179.25 180.37 2jml h ILE 68 N 0.00 0.55 -0.80 0.00 2.04 -1.61 -0.57 117.51 117.12 2jml h ILE 68 Ca -0.00 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.52 2jml h ILE 68 Cb 0.69 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2jml h ILE 68 CO 0.04 0.07 0.52 0.00 0.00 0.00 0.00 178.15 178.78 2jml h ALA 69 N -0.34 1.57 0.55 1.87 0.00 -0.40 0.77 119.26 123.29 2jml h ALA 69 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jml h ALA 69 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jml h ALA 69 CO 0.09 0.33 -0.35 1.96 0.00 0.00 0.00 179.25 181.28 2jml h GLN 70 N 0.92 -0.82 0.00 0.00 4.20 -0.59 -0.41 115.11 118.41 2jml h GLN 70 Ca 0.33 0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2jml h GLN 70 Cb 0.14 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jml h GLN 70 CO -0.11 -0.55 -0.06 -0.24 -0.67 0.00 0.00 178.83 177.21 2jml h VAL 71 N -0.85 0.67 -0.37 -0.54 3.04 -0.72 0.42 116.25 117.90 2jml h VAL 71 Ca -0.07 -0.24 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 2jml h VAL 71 Cb 0.68 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2jml h VAL 71 CO 0.07 0.06 0.04 0.11 -1.01 0.00 0.00 177.57 176.84 2jml h LYS 72 N 0.00 0.62 -0.00 4.17 1.79 -0.77 -3.25 116.57 119.13 2jml h LYS 72 Ca -0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2jml h LYS 72 Cb 0.14 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2jml h LYS 72 CO 0.01 0.70 -0.49 -2.37 -1.08 0.00 0.00 179.45 176.22 2jml n THR 73 N -4.54 0.00 -3.61 -0.16 5.66 -0.17 -4.56 114.28 106.90 2jml n THR 73 Ca -0.01 -0.01 -0.27 0.00 -3.05 0.00 0.00 64.05 60.71 2jml n THR 73 Cb 0.24 0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 2jml n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jml n GLU 74 N -1.46 1.01 -2.05 1.09 1.02 0.13 -5.06 120.64 115.32 2jml n GLU 74 Ca 0.06 -3.81 -0.42 0.00 -0.02 0.00 0.00 57.16 52.97 2jml n GLU 74 Cb 0.34 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 2jml n GLU 74 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jml s PRO 75 N -0.74 4.27 0.61 3.49 0.04 -1.23 -4.45 135.00 137.00 2jml s PRO 75 Ca 0.30 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.42 2jml s PRO 75 Cb 0.01 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2jml s PRO 75 CO -0.18 -0.48 1.07 -1.25 0.04 0.00 0.00 177.00 176.20 2jml s PRO 76 N 0.63 3.18 -0.26 0.56 0.04 -1.26 -5.07 135.00 132.82 2jml s PRO 76 Ca 0.65 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.88 2jml s PRO 76 Cb -0.41 -2.01 0.15 0.00 0.04 0.00 0.00 34.50 32.27 2jml s PRO 76 CO 0.35 -0.93 0.49 0.50 0.04 0.00 0.00 177.00 177.45 2jml s ARG 77 N -4.14 0.45 0.00 4.56 6.06 -1.26 -5.20 118.95 119.42 2jml s ARG 77 Ca 0.64 0.88 0.30 0.00 -2.50 0.00 0.00 55.73 55.06 2jml s ARG 77 Cb -0.17 0.16 1.82 0.00 0.06 0.00 0.00 34.95 36.82 2jml s ARG 77 CO 0.39 -0.52 2.15 -1.91 -2.50 0.00 0.00 175.30 172.90