#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5j s GLU 3 N 0.00 3.62 0.20 0.00 0.41 -1.26 -5.04 118.70 116.62 2o5j s GLU 3 Ca 0.00 -0.10 -0.32 0.00 -0.41 0.00 0.00 54.97 54.14 2o5j s GLU 3 Cb 0.00 -2.82 -0.15 0.00 -1.78 0.00 0.00 34.13 29.38 2o5j s GLU 3 CO 0.00 0.43 1.32 -2.30 -0.49 0.00 0.00 175.26 174.22 2o5j n PRO 4 N -0.10 1.65 -3.44 0.39 -0.02 -1.26 -3.21 135.00 129.01 2o5j n PRO 4 Ca -0.02 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2o5j n PRO 4 Cb 0.52 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 2o5j n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o5j n GLY 5 N 2.23 -0.13 0.22 -1.23 0.00 -1.26 -4.79 105.19 100.24 2o5j n GLY 5 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 2o5j n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o5j h ILE 6 N 1.03 1.26 -0.21 -0.61 6.09 -1.98 -0.91 117.51 122.19 2o5j h ILE 6 Ca -0.18 -1.24 -0.20 0.00 -1.37 0.00 0.00 64.86 61.88 2o5j h ILE 6 Cb 0.36 1.42 0.00 0.00 0.47 0.00 0.00 36.82 39.07 2o5j h ILE 6 CO 0.15 0.38 -0.65 0.44 -3.07 0.00 0.00 178.15 175.41 2o5j h ASP 7 N 0.31 0.86 -0.67 2.19 3.32 -1.89 0.13 116.42 120.67 2o5j h ASP 7 Ca 0.05 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.63 2o5j h ASP 7 Cb 0.64 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2o5j h ASP 7 CO 0.05 1.29 0.40 0.11 -1.72 0.00 0.00 179.24 179.37 2o5j h LYS 8 N 0.55 0.75 -0.15 3.56 1.57 -1.86 -0.99 116.57 120.00 2o5j h LYS 8 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2o5j h LYS 8 Cb 1.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2o5j h LYS 8 CO 0.13 0.49 0.00 -0.07 -0.57 0.00 0.00 179.45 179.44 2o5j h LEU 9 N 0.77 0.25 -1.18 2.94 3.38 -1.02 -2.78 115.31 117.67 2o5j h LEU 9 Ca 0.28 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2o5j h LEU 9 Cb 0.09 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2o5j h LEU 9 CO -0.14 0.49 0.58 -0.26 0.09 0.00 0.00 178.44 179.20 2o5j h PHE 10 N 0.00 1.00 0.00 1.13 0.05 -0.42 -1.24 116.94 117.47 2o5j h PHE 10 Ca 0.04 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 2o5j h PHE 10 Cb 0.36 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 2o5j h PHE 10 CO 0.03 0.50 -0.26 0.78 -0.18 0.00 0.00 178.31 179.18 2o5j h GLY 11 N 0.96 0.00 2.00 -1.45 0.00 -1.11 -3.07 103.07 100.40 2o5j h GLY 11 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2o5j h GLY 11 CO -0.16 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.05 2o5j h MET 12 N 0.00 0.00 -6.27 4.80 2.86 -0.94 -3.45 114.93 111.94 2o5j h MET 12 Ca -0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.03 2o5j h MET 12 Cb 0.79 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.32 2o5j h MET 12 CO 0.03 0.00 -0.74 0.08 1.06 0.00 0.00 176.91 177.34 2o5j s VAL 13 N -3.43 2.71 -0.16 -2.22 1.01 -1.16 -5.04 120.40 112.11 2o5j s VAL 13 Ca 0.04 -2.23 0.19 0.00 0.00 0.00 0.00 61.98 59.98 2o5j s VAL 13 Cb 0.09 -2.41 0.17 0.00 0.00 0.00 0.00 36.38 34.23 2o5j s VAL 13 CO 0.48 -0.35 1.57 -2.24 0.00 0.00 0.00 175.10 174.56 2o5j h ASP 14 N 2.33 0.00 -3.93 3.32 -0.00 -1.87 -3.45 116.42 112.81 2o5j h ASP 14 Ca -0.42 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.45 2o5j h ASP 14 Cb 1.25 0.00 -0.25 0.00 -0.00 0.00 0.00 39.33 40.33 2o5j h ASP 14 CO 0.58 0.32 -0.40 -0.55 -0.00 0.00 0.00 179.24 179.20 2o5j s SER 15 N -6.33 -0.27 0.13 4.15 0.15 -1.26 -5.06 113.70 105.21 2o5j s SER 15 Ca 0.04 0.50 -0.33 0.00 0.70 0.00 0.00 55.95 56.86 2o5j s SER 15 Cb 0.08 0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 64.81 2o5j s SER 15 CO 0.70 -0.12 1.55 0.50 1.20 0.00 0.00 173.24 177.07 2o5j h LYS 16 N 5.58 -0.43 0.00 5.44 3.64 -1.89 -0.45 116.57 128.45 2o5j h LYS 16 Ca -0.26 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2o5j h LYS 16 Cb 1.19 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2o5j h LYS 16 CO 0.34 -0.29 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 2o5j n TYR 17 N -5.40 0.60 0.07 1.91 4.01 -1.26 -1.87 117.16 115.22 2o5j n TYR 17 Ca -0.04 0.29 -0.21 0.00 -0.16 0.00 0.00 57.90 57.78 2o5j n TYR 17 Cb 0.35 -0.96 -0.12 0.00 -0.31 0.00 0.00 39.34 38.30 2o5j n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2o5j h ARG 18 N 0.00 0.64 -0.94 -0.72 2.43 -1.49 -2.95 114.38 111.35 2o5j h ARG 18 Ca 0.00 -0.79 0.07 0.00 -0.81 0.00 0.00 59.98 58.45 2o5j h ARG 18 Cb 0.09 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 2o5j h ARG 18 CO 0.00 1.35 0.59 1.25 -1.51 0.00 0.00 179.97 181.65 2o5j h LEU 19 N 0.29 0.93 -0.28 3.80 5.85 -1.31 -0.47 115.31 124.12 2o5j h LEU 19 Ca -0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2o5j h LEU 19 Cb 1.81 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2o5j h LEU 19 CO 0.22 0.58 0.19 0.74 -0.34 0.00 0.00 178.44 179.82 2o5j h THR 20 N 1.06 1.07 -0.76 1.05 2.02 -1.58 -1.23 112.91 114.54 2o5j h THR 20 Ca 0.42 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 2o5j h THR 20 Cb 0.22 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2o5j h THR 20 CO -0.19 0.07 0.36 0.58 0.37 0.00 0.00 175.52 176.72 2o5j h VAL 21 N 0.38 1.24 0.46 3.16 2.07 -1.12 -2.15 116.25 120.29 2o5j h VAL 21 Ca 0.10 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2o5j h VAL 21 Cb -0.04 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2o5j h VAL 21 CO -0.02 0.29 -0.22 0.58 0.02 0.00 0.00 177.57 178.22 2o5j h VAL 22 N 1.06 0.55 -0.39 2.57 2.07 -0.77 -0.53 116.25 120.81 2o5j h VAL 22 Ca 0.26 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2o5j h VAL 22 Cb 0.12 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2o5j h VAL 22 CO -0.03 0.01 -0.01 0.58 0.02 0.00 0.00 177.57 178.14 2o5j h VAL 23 N -0.66 0.69 0.56 2.57 2.07 -1.20 0.48 116.25 120.76 2o5j h VAL 23 Ca -0.06 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2o5j h VAL 23 Cb 0.49 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2o5j h VAL 23 CO 0.10 0.02 -0.41 0.00 0.02 0.00 0.00 177.57 177.30 2o5j h ALA 24 N 1.35 -0.99 -0.44 1.67 0.00 -1.29 0.18 119.26 119.75 2o5j h ALA 24 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2o5j h ALA 24 Cb 0.28 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2o5j h ALA 24 CO -0.33 -1.08 0.30 0.87 0.00 0.00 0.00 179.25 179.01 2o5j h LYS 25 N -0.94 0.17 -0.23 0.00 1.57 -0.82 -0.70 116.57 115.62 2o5j h LYS 25 Ca -0.06 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2o5j h LYS 25 Cb 0.79 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2o5j h LYS 25 CO 0.02 0.11 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.60 2o5j h ARG 26 N 0.17 0.62 -0.48 3.15 9.65 -0.29 -2.66 114.38 124.55 2o5j h ARG 26 Ca 0.20 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.70 2o5j h ARG 26 Cb 0.58 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2o5j h ARG 26 CO -0.03 0.97 0.21 0.00 2.80 0.00 0.00 179.97 183.92 2o5j h ALA 27 N 0.64 1.46 0.35 2.80 0.00 0.56 -0.37 119.26 124.69 2o5j h ALA 27 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2o5j h ALA 27 Cb 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2o5j h ALA 27 CO 0.08 0.42 -0.17 1.96 0.00 0.00 0.00 179.25 181.54 2o5j h GLN 28 N 0.68 -0.45 -0.08 0.00 4.20 -1.07 -2.79 115.11 115.60 2o5j h GLN 28 Ca 0.17 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2o5j h GLN 28 Cb 0.12 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2o5j h GLN 28 CO -0.02 -0.24 -0.18 0.37 -0.67 0.00 0.00 178.83 178.09 2o5j h GLN 29 N -0.57 0.13 -0.93 1.46 4.15 -1.29 -1.73 115.11 116.34 2o5j h GLN 29 Ca -0.05 -0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.49 2o5j h GLN 29 Cb 0.42 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 2o5j h GLN 29 CO 0.08 0.32 0.54 -0.07 -1.93 0.00 0.00 178.83 177.77 2o5j h LEU 30 N 0.13 0.71 0.00 -2.39 4.07 -0.80 -3.15 115.31 113.87 2o5j h LEU 30 Ca 0.02 0.08 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 2o5j h LEU 30 Cb 0.41 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 2o5j h LEU 30 CO 0.03 0.31 -0.94 -0.07 -1.08 0.00 0.00 178.44 176.69 2o5j h LEU 31 N 0.76 0.00 0.02 1.67 3.38 -1.24 -3.07 115.31 116.84 2o5j h LEU 31 Ca 0.50 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2o5j h LEU 31 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2o5j h LEU 31 CO -0.34 1.32 -0.04 -0.09 0.09 0.00 0.00 178.44 179.38 2o5j h ARG 32 N -1.00 -0.07 0.00 1.13 2.43 -1.33 -2.65 114.38 112.89 2o5j h ARG 32 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2o5j h ARG 32 Cb 1.15 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2o5j h ARG 32 CO -0.15 -0.05 0.00 0.72 -1.51 0.00 0.00 179.97 178.98 2o5j n HIS 33 N -2.62 0.00 0.00 2.20 8.25 -1.19 -4.80 115.22 117.06 2o5j n HIS 33 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2o5j n HIS 33 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2o5j n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2o5j n GLY 34 N -0.13 3.30 0.00 -1.41 0.00 -1.00 -4.39 105.19 101.57 2o5j n GLY 34 Ca 0.06 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2o5j n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2o5j n PHE 35 N 0.26 0.00 1.73 1.61 7.35 -1.16 -2.98 117.46 124.26 2o5j n PHE 35 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 2o5j n PHE 35 Cb 0.00 -0.30 0.69 0.00 0.35 0.00 0.00 39.48 40.23 2o5j n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2o5j n LYS 36 N -1.30 1.33 -1.12 -4.13 4.76 -1.26 -4.55 118.16 111.90 2o5j n LYS 36 Ca 0.10 -0.49 -0.39 0.00 -2.87 0.00 0.00 58.31 54.67 2o5j n LYS 36 Cb 0.18 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 2o5j n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2o5j n ASN 37 N -0.39 3.16 -4.35 4.39 4.13 -1.16 -4.85 115.26 116.18 2o5j n ASN 37 Ca 0.20 -2.62 -0.18 0.00 1.68 0.00 0.00 54.58 53.66 2o5j n ASN 37 Cb 0.22 -1.16 -0.10 0.00 -1.54 0.00 0.00 39.78 37.21 2o5j n ASN 37 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2o5j s THR 38 N 4.51 1.53 -0.67 3.41 -1.32 -1.26 -4.80 115.64 117.03 2o5j s THR 38 Ca 0.53 -2.14 0.07 0.00 -1.21 0.00 0.00 61.69 58.94 2o5j s THR 38 Cb 0.14 -2.18 0.18 0.00 -1.51 0.00 0.00 72.50 69.13 2o5j s THR 38 CO 0.07 -0.49 1.10 1.33 -2.21 0.00 0.00 174.62 174.42 2o5j n VAL 39 N -0.42 0.85 -2.72 5.08 0.24 -1.26 -4.82 118.33 115.28 2o5j n VAL 39 Ca -0.07 -0.92 -0.08 0.00 -2.04 0.00 0.00 64.34 61.22 2o5j n VAL 39 Cb 0.62 0.60 0.10 0.00 -1.47 0.00 0.00 33.84 33.69 2o5j n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2o5j n LEU 40 N 0.22 -2.10 -0.06 1.34 -0.00 -1.26 -5.03 117.00 110.11 2o5j n LEU 40 Ca 0.07 -3.62 -0.18 0.00 -0.00 0.00 0.00 56.01 52.28 2o5j n LEU 40 Cb 0.34 0.55 -0.13 0.00 -0.00 0.00 0.00 43.42 44.18 2o5j n LEU 40 CO 0.05 2.00 -0.03 1.05 -0.00 0.00 0.00 177.39 180.46 2o5j h GLU 41 N 2.58 0.07 0.00 1.47 9.09 -1.89 -3.42 114.58 122.48 2o5j h GLU 41 Ca -0.17 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2o5j h GLU 41 Cb 1.18 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 2o5j h GLU 41 CO 0.05 1.05 0.00 -2.30 0.05 0.00 0.00 179.01 177.87 2o5j n PRO 42 N -4.41 0.00 0.00 1.06 -0.02 -1.26 -4.30 135.00 126.07 2o5j n PRO 42 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2o5j n PRO 42 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 2o5j n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2o5j n GLU 43 N 0.00 0.00 -3.67 -0.52 1.02 -1.26 -4.66 120.64 111.55 2o5j n GLU 43 Ca 0.00 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 2o5j n GLU 43 Cb 0.00 -1.02 -0.12 0.00 -0.02 0.00 0.00 31.44 30.28 2o5j n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2o5j s GLU 44 N -1.09 3.16 0.32 3.49 2.02 -1.26 -5.06 118.70 120.28 2o5j s GLU 44 Ca 0.00 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.23 2o5j s GLU 44 Cb 0.00 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2o5j s GLU 44 CO 0.00 -0.48 0.27 2.89 0.02 0.00 0.00 175.26 177.96 2o5j n ARG 45 N 4.95 0.39 -1.72 1.61 1.85 -1.26 -4.86 116.66 117.62 2o5j n ARG 45 Ca -0.14 -3.19 -0.39 0.00 -1.00 0.00 0.00 57.85 53.13 2o5j n ARG 45 Cb 0.48 2.61 0.03 0.00 -1.05 0.00 0.00 32.46 34.53 2o5j n ARG 45 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2o5j n PRO 46 N -0.61 1.76 -3.65 2.89 -0.02 -1.26 -5.04 135.00 129.08 2o5j n PRO 46 Ca 0.07 0.64 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2o5j n PRO 46 Cb 0.58 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 2o5j n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2o5j s LYS 47 N -2.58 0.77 0.47 -0.52 -2.85 -1.26 -4.04 119.74 109.72 2o5j s LYS 47 Ca 0.67 0.54 0.04 0.00 -1.00 0.00 0.00 55.97 56.22 2o5j s LYS 47 Cb -0.45 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.65 2o5j s LYS 47 CO 0.53 -0.16 0.08 1.41 0.10 0.00 0.00 175.35 177.32 2o5j s MET 48 N -0.28 2.14 -0.01 1.78 1.75 -1.26 -4.84 119.30 118.58 2o5j s MET 48 Ca -0.05 -2.18 0.02 0.00 -1.25 0.00 0.00 55.69 52.23 2o5j s MET 48 Cb -0.03 -1.70 0.03 0.00 2.84 0.00 0.00 34.83 35.96 2o5j s MET 48 CO 0.03 -0.27 0.86 1.04 -0.65 0.00 0.00 175.02 176.04 2o5j n GLN 49 N -1.24 1.73 0.30 4.11 3.00 -1.26 -4.13 117.38 119.90 2o5j n GLN 49 Ca -0.10 -1.27 0.20 0.00 -0.01 0.00 0.00 57.00 55.81 2o5j n GLN 49 Cb 0.66 -0.87 0.92 0.00 0.00 0.00 0.00 30.24 30.96 2o5j n GLN 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2o5j h THR 50 N 1.33 0.00 -1.96 5.09 2.02 -2.00 -3.44 112.91 113.94 2o5j h THR 50 Ca 0.00 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.94 2o5j h THR 50 Cb 0.76 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2o5j h THR 50 CO 0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 2o5j n LEU 51 N -3.07 0.00 -1.17 2.58 -0.00 -1.26 -5.03 117.00 109.05 2o5j n LEU 51 Ca -0.01 -0.54 0.05 0.00 -0.00 0.00 0.00 56.01 55.51 2o5j n LEU 51 Cb 0.20 0.99 0.23 0.00 -0.00 0.00 0.00 43.42 44.85 2o5j n LEU 51 CO 0.24 -0.18 0.64 -0.62 -0.00 0.00 0.00 177.39 177.47 2o5j n GLU 52 N -0.24 2.91 0.00 1.47 -0.58 -1.26 -4.60 120.64 118.35 2o5j n GLU 52 Ca -0.01 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 2o5j n GLU 52 Cb 0.20 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 2o5j n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2o5j n GLY 53 N 0.67 0.00 0.00 0.62 0.00 -1.26 -3.27 105.19 101.95 2o5j n GLY 53 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2o5j n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o5j n LEU 54 N -0.57 0.00 0.14 0.99 0.00 -1.26 -2.77 117.00 113.53 2o5j n LEU 54 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 56.01 56.54 2o5j n LEU 54 Cb 0.00 -0.44 0.50 0.00 0.00 0.00 0.00 43.42 43.49 2o5j n LEU 54 CO 0.00 -0.18 0.78 0.49 0.00 0.00 0.00 177.39 178.49 2o5j n PHE 55 N -1.44 0.63 -0.02 1.96 0.99 -1.20 -3.99 117.46 114.38 2o5j n PHE 55 Ca 0.05 0.33 -0.03 0.00 -0.00 0.00 0.00 57.45 57.80 2o5j n PHE 55 Cb 0.18 -1.02 -0.01 0.00 -1.00 0.00 0.00 39.48 37.63 2o5j n PHE 55 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2o5j n ASP 56 N -2.15 0.97 -2.71 4.37 8.00 -1.11 -5.02 116.55 118.89 2o5j n ASP 56 Ca -0.01 0.15 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 2o5j n ASP 56 Cb 0.03 -0.47 0.10 0.00 -0.02 0.00 0.00 41.12 40.76 2o5j n ASP 56 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2o5j n ASP 57 N -3.45 -0.64 0.00 -2.24 5.68 -1.26 -4.92 116.55 109.73 2o5j n ASP 57 Ca -0.05 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 2o5j n ASP 57 Cb 0.19 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2o5j n ASP 57 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 2o5j n PRO 58 N -1.15 0.00 -3.94 0.11 -0.02 -1.26 -4.84 135.00 123.90 2o5j n PRO 58 Ca -0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.04 2o5j n PRO 58 Cb 0.85 -0.15 -0.11 0.00 -0.02 0.00 0.00 33.50 34.07 2o5j n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2o5j s ASN 59 N -1.33 5.43 0.03 2.55 0.02 -1.26 -5.02 114.94 115.36 2o5j s ASN 59 Ca 0.00 -0.03 -0.23 0.00 -1.02 0.00 0.00 52.86 51.58 2o5j s ASN 59 Cb 0.00 -1.95 -0.13 0.00 0.02 0.00 0.00 41.25 39.20 2o5j s ASN 59 CO 0.00 0.10 1.19 0.00 0.02 0.00 0.00 177.10 178.41 2o5j h ALA 60 N 7.26 -1.07 0.00 0.60 0.00 -1.91 -3.25 119.26 120.89 2o5j h ALA 60 Ca -0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2o5j h ALA 60 Cb 1.17 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2o5j h ALA 60 CO 0.65 -1.01 -0.04 -0.39 0.00 0.00 0.00 179.25 178.46 2o5j h VAL 61 N -0.93 0.89 -0.50 0.00 -1.51 -1.89 -1.48 116.25 110.84 2o5j h VAL 61 Ca -0.08 -0.13 0.12 0.00 -1.23 0.00 0.00 66.70 65.38 2o5j h VAL 61 Cb 0.63 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2o5j h VAL 61 CO 0.14 0.04 0.35 0.74 -1.23 0.00 0.00 177.57 177.60 2o5j h THR 62 N 0.00 0.80 0.05 7.19 2.02 -1.98 -0.39 112.91 120.61 2o5j h THR 62 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 2o5j h THR 62 Cb 0.07 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2o5j h THR 62 CO 0.00 0.02 -0.02 -0.50 0.37 0.00 0.00 175.52 175.39 2o5j h TRP 63 N 0.12 -0.06 -0.91 3.16 4.06 -1.36 -3.05 115.95 117.90 2o5j h TRP 63 Ca 0.24 -0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.39 2o5j h TRP 63 Cb 0.78 0.02 -0.17 0.00 -1.00 0.00 0.00 29.16 28.79 2o5j h TRP 63 CO -0.00 0.44 -0.13 0.00 -3.56 0.00 0.00 178.44 175.19 2o5j h ALA 64 N -0.42 0.77 -0.37 1.49 0.00 -1.13 0.46 119.26 120.06 2o5j h ALA 64 Ca -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2o5j h ALA 64 Cb 0.53 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2o5j h ALA 64 CO 0.01 -0.44 0.07 0.52 0.00 0.00 0.00 179.25 179.41 2o5j h MET 65 N 0.02 0.61 0.00 0.00 2.86 -1.24 0.43 114.93 117.60 2o5j h MET 65 Ca 0.48 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2o5j h MET 65 Cb 0.82 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 2o5j h MET 65 CO -0.90 0.66 -0.07 -0.22 1.06 0.00 0.00 176.91 177.44 2o5j h LYS 66 N 0.46 0.00 0.03 1.72 1.63 -0.15 -1.02 116.57 119.24 2o5j h LYS 66 Ca 0.11 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.71 2o5j h LYS 66 Cb 0.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 2o5j h LYS 66 CO 0.01 0.07 -1.08 0.93 -3.45 0.00 0.00 179.45 175.93 2o5j h GLU 67 N 0.00 0.07 -0.04 1.90 5.08 -0.09 -3.34 114.58 118.16 2o5j h GLU 67 Ca -0.00 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2o5j h GLU 67 Cb 0.19 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2o5j h GLU 67 CO 0.01 1.06 0.04 -0.07 -1.00 0.00 0.00 179.01 179.05 2o5j h LEU 68 N -0.78 0.00 -1.57 1.33 4.07 -0.80 0.21 115.31 117.76 2o5j h LEU 68 Ca -0.27 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 2o5j h LEU 68 Cb 1.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 2o5j h LEU 68 CO -0.09 0.00 -0.10 0.17 -1.08 0.00 0.00 178.44 177.34 2o5j h LEU 69 N 0.00 0.14-10.49 1.67 8.10 -1.32 -3.42 115.31 110.00 2o5j h LEU 69 Ca 0.02 -0.02 -0.48 0.00 0.11 0.00 0.00 57.88 57.51 2o5j h LEU 69 Cb 0.10 -0.04 0.07 0.00 -0.44 0.00 0.00 40.66 40.35 2o5j h LEU 69 CO -0.00 0.26 0.32 -0.89 -4.11 0.00 0.00 178.44 174.02 2o5j s THR 70 N -4.81 3.25 -0.52 0.15 2.01 0.73 -4.99 115.64 111.47 2o5j s THR 70 Ca -0.05 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 2o5j s THR 70 Cb 0.16 -3.37 0.45 0.00 0.01 0.00 0.00 72.50 69.75 2o5j s THR 70 CO 0.71 -0.44 1.96 0.61 -0.69 0.00 0.00 174.62 176.77 2o5j n GLY 71 N -2.90 5.02 0.11 4.40 0.00 -1.26 -4.52 105.19 106.05 2o5j n GLY 71 Ca 0.06 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 2o5j n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o5j n ARG 72 N -0.69 0.59 -1.49 1.61 5.12 -1.26 -4.97 116.66 115.56 2o5j n ARG 72 Ca 0.54 0.52 -0.30 0.00 -1.93 0.00 0.00 57.85 56.68 2o5j n ARG 72 Cb 0.91 -1.73 0.10 0.00 -1.16 0.00 0.00 32.46 30.58 2o5j n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2o5j s LEU 73 N -7.74 2.54 -0.05 0.55 1.02 -1.26 -5.07 118.68 108.67 2o5j s LEU 73 Ca -0.29 1.34 -0.00 0.00 0.02 0.00 0.00 54.13 55.20 2o5j s LEU 73 Cb 0.06 -3.92 0.03 0.00 0.02 0.00 0.00 46.19 42.38 2o5j s LEU 73 CO 0.61 -2.09 -0.01 0.68 0.02 0.00 0.00 176.35 175.56 2o5j s VAL 74 N -3.12 0.35 -0.15 -1.59 -7.23 -1.26 -5.07 120.40 102.34 2o5j s VAL 74 Ca 0.61 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.85 2o5j s VAL 74 Cb -0.15 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.35 2o5j s VAL 74 CO 0.55 0.22 -0.18 0.72 -0.31 0.00 0.00 175.10 176.10 2o5j s PHE 75 N 1.41 2.41 0.22 2.82 -0.12 -1.26 -5.09 117.98 118.37 2o5j s PHE 75 Ca -0.04 -1.32 0.00 0.00 -0.05 0.00 0.00 56.93 55.53 2o5j s PHE 75 Cb -0.13 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.52 2o5j s PHE 75 CO -0.03 -0.66 0.15 0.20 -0.05 0.00 0.00 175.22 174.83 2o5j s GLY 76 N 1.21 1.57 0.18 1.99 0.00 -1.26 -5.05 107.32 105.96 2o5j s GLY 76 Ca 0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.91 2o5j s GLY 76 CO -0.08 -1.41 1.52 -2.09 0.00 0.00 0.00 173.10 171.03 2o5j h GLU 77 N 2.55 0.74 -1.54 2.90 4.22 -2.04 -3.39 114.58 118.02 2o5j h GLU 77 Ca -0.34 -0.40 -0.32 0.00 0.08 0.00 0.00 59.36 58.37 2o5j h GLU 77 Cb 1.25 0.02 -0.25 0.00 0.50 0.00 0.00 28.75 30.27 2o5j h GLU 77 CO 0.51 1.03 -0.68 1.21 -2.18 0.00 0.00 179.01 178.90 2o5j s ASN 78 N -6.87 -0.29 -0.13 1.04 3.84 -1.26 -5.02 114.94 106.26 2o5j s ASN 78 Ca -0.09 -2.19 -0.08 0.00 0.21 0.00 0.00 52.86 50.71 2o5j s ASN 78 Cb 0.12 0.99 -0.05 0.00 -0.55 0.00 0.00 41.25 41.75 2o5j s ASN 78 CO 0.86 -0.11 0.04 -0.07 -2.79 0.00 0.00 177.10 175.03 2o5j h LEU 79 N 5.38 0.00 -7.77 3.21 4.07 -1.98 -3.47 115.31 114.75 2o5j h LEU 79 Ca 0.14 -0.15 -0.47 0.00 0.08 0.00 0.00 57.88 57.48 2o5j h LEU 79 Cb 1.04 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 42.43 2o5j h LEU 79 CO 0.15 0.71 -0.79 -0.69 -1.08 0.00 0.00 178.44 176.75 2o5j s VAL 80 N -1.91 0.81 -0.36 1.22 1.01 -1.26 -5.09 120.40 114.81 2o5j s VAL 80 Ca -0.09 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 2o5j s VAL 80 Cb 0.01 -0.81 -0.14 0.00 0.00 0.00 0.00 36.38 35.43 2o5j s VAL 80 CO 0.19 0.30 1.28 -2.65 0.00 0.00 0.00 175.10 174.22 2o5j n PRO 81 N 4.34 0.00 -0.08 2.72 -0.02 -1.26 -4.79 135.00 135.92 2o5j n PRO 81 Ca -0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.29 2o5j n PRO 81 Cb 0.51 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2o5j n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2o5j n GLU 82 N 3.66 -0.05 -0.01 -0.52 -0.58 -1.26 -1.84 120.64 120.04 2o5j n GLU 82 Ca 0.28 0.30 -0.17 0.00 -0.42 0.00 0.00 57.16 57.15 2o5j n GLU 82 Cb -0.04 -0.44 -0.14 0.00 -0.57 0.00 0.00 31.44 30.25 2o5j n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2o5j n ASP 83 N -4.28 1.66 0.26 1.62 4.64 -1.26 -4.20 116.55 114.99 2o5j n ASP 83 Ca 0.02 0.27 0.18 0.00 -1.38 0.00 0.00 54.79 53.87 2o5j n ASP 83 Cb 0.07 -0.55 0.86 0.00 -1.04 0.00 0.00 41.12 40.47 2o5j n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2o5j h ARG 84 N 0.05 0.00 -0.05 -0.67 2.43 -1.72 -2.92 114.38 111.49 2o5j h ARG 84 Ca -0.38 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 2o5j h ARG 84 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2o5j h ARG 84 CO 0.08 0.00 -0.19 1.25 -1.51 0.00 0.00 179.97 179.60 2o5j h LEU 85 N 0.00 0.26 -2.04 3.80 7.12 -1.71 -2.83 115.31 119.91 2o5j h LEU 85 Ca 0.00 -0.63 -0.02 0.00 0.13 0.00 0.00 57.88 57.36 2o5j h LEU 85 Cb 0.18 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2o5j h LEU 85 CO 0.00 0.84 -0.09 0.06 -0.13 0.00 0.00 178.44 179.12 2o5j h GLN 86 N -0.31 0.00 0.11 1.25 -0.00 -1.74 -2.01 115.11 112.41 2o5j h GLN 86 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2o5j h GLN 86 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.31 2o5j h GLN 86 CO 0.04 0.09 -0.05 -0.22 -0.00 0.00 0.00 178.83 178.69 2o5j h LYS 87 N 0.00 -0.14 -0.16 0.06 3.64 -1.57 -3.07 116.57 115.32 2o5j h LYS 87 Ca -0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2o5j h LYS 87 Cb 0.25 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2o5j h LYS 87 CO 0.01 0.34 -0.12 0.93 -2.27 0.00 0.00 179.45 178.35 2o5j h GLU 88 N -0.87 0.26 -0.33 1.90 4.39 -1.39 -2.71 114.58 115.83 2o5j h GLU 88 Ca -0.02 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2o5j h GLU 88 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2o5j h GLU 88 CO 0.03 0.39 0.07 1.98 -1.16 0.00 0.00 179.01 180.31 2o5j h MET 89 N 0.25 0.54 0.00 2.33 4.05 -1.46 -2.53 114.93 118.10 2o5j h MET 89 Ca 0.05 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2o5j h MET 89 Cb 0.36 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2o5j h MET 89 CO 0.02 0.61 -0.35 0.93 0.23 0.00 0.00 176.91 178.36 2o5j h GLU 90 N 0.38 0.00 -0.15 0.39 5.08 -1.42 -1.76 114.58 117.09 2o5j h GLU 90 Ca 0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2o5j h GLU 90 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2o5j h GLU 90 CO 0.00 0.35 -0.50 -0.09 -1.00 0.00 0.00 179.01 177.77 2o5j h ARG 91 N 0.00 0.42 0.00 2.33 2.43 -1.20 -3.33 114.38 115.02 2o5j h ARG 91 Ca -0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2o5j h ARG 91 Cb 0.72 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2o5j h ARG 91 CO 0.04 0.82 -1.96 1.28 -1.51 0.00 0.00 179.97 178.65 2o5j n LEU 92 N -3.97 0.03 -4.18 3.80 4.77 -0.98 -4.93 117.00 111.54 2o5j n LEU 92 Ca -0.02 -0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.58 2o5j n LEU 92 Cb 0.56 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 2o5j n LEU 92 CO 0.45 0.01 -0.30 -0.31 -1.33 0.00 0.00 177.39 175.91 2o5j s TYR 93 N -3.48 3.33 0.45 -1.77 1.51 -0.67 -5.08 117.35 111.64 2o5j s TYR 93 Ca -0.07 -1.89 0.25 0.00 -1.01 0.00 0.00 57.07 54.34 2o5j s TYR 93 Cb 0.14 -2.38 1.42 0.00 -0.11 0.00 0.00 41.96 41.03 2o5j s TYR 93 CO 0.90 -0.82 2.09 -1.35 -1.11 0.00 0.00 175.55 175.25 2o5j h PRO 94 N 8.05 0.00 0.00 -1.71 0.11 -1.86 -3.43 132.00 133.16 2o5j h PRO 94 Ca -0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 2o5j h PRO 94 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2o5j h PRO 94 CO 0.58 0.11 -0.05 0.28 -0.21 0.00 0.00 178.00 178.71 2o5j h VAL 95 N 0.00 0.43 0.00 3.15 2.07 -1.94 -3.50 116.25 116.46 2o5j h VAL 95 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2o5j h VAL 95 Cb 0.27 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2o5j h VAL 95 CO 0.01 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.03