#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u s ASN 2 N 0.00 6.23 -0.01 6.12 3.84 -1.26 -5.01 114.94 124.85 1r2u s ASN 2 Ca 0.00 0.25 0.02 0.00 0.21 0.00 0.00 52.86 53.34 1r2u s ASN 2 Cb 0.00 -1.90 0.03 0.00 -0.55 0.00 0.00 41.25 38.83 1r2u s ASN 2 CO 0.00 0.20 0.83 -0.90 -2.79 0.00 0.00 177.10 174.44 1r2u n ASP 3 N 0.53 1.17 0.07 -4.21 5.68 -1.26 -4.73 116.55 113.80 1r2u n ASP 3 Ca -0.07 -1.74 -0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1r2u n ASP 3 Cb 0.52 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1r2u h ILE 4 N 1.59 0.81 -0.11 2.12 -0.00 -1.96 -3.10 117.51 116.85 1r2u h ILE 4 Ca 0.00 -2.30 -0.09 0.00 -0.00 0.00 0.00 64.86 62.48 1r2u h ILE 4 Cb 0.79 2.31 -0.01 0.00 -0.00 0.00 0.00 36.82 39.91 1r2u h ILE 4 CO 0.00 0.46 -0.32 1.88 -0.00 0.00 0.00 178.15 180.17 1r2u h TYR 5 N 0.00 0.25 0.17 0.16 0.05 -1.88 0.19 116.97 115.91 1r2u h TYR 5 Ca -0.09 -0.05 -0.31 0.00 0.05 0.00 0.00 58.73 58.33 1r2u h TYR 5 Cb 1.55 -0.06 0.03 0.00 1.01 0.00 0.00 36.73 39.26 1r2u h TYR 5 CO 0.00 0.52 -1.32 0.87 -1.05 0.00 0.00 178.16 177.19 1r2u h LYS 6 N 0.19 0.53 -0.06 4.88 1.79 -1.89 -0.48 116.57 121.53 1r2u h LYS 6 Ca 0.03 -0.80 -0.13 0.00 -2.18 0.00 0.00 60.65 57.57 1r2u h LYS 6 Cb 0.67 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1r2u h LYS 6 CO 0.05 1.37 -0.55 0.00 -1.08 0.00 0.00 179.45 179.24 1r2u h ALA 7 N 0.31 0.98 0.00 3.86 0.00 -1.44 -3.05 119.26 119.92 1r2u h ALA 7 Ca -0.20 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1r2u h ALA 7 Cb 2.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1r2u h ALA 7 CO 0.24 0.69 -0.72 0.00 0.00 0.00 0.00 179.25 179.46 1r2u h ALA 8 N 1.31 0.64 -0.76 0.00 0.00 -0.66 -3.35 119.26 116.44 1r2u h ALA 8 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1r2u h ALA 8 Cb 1.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1r2u h ALA 8 CO 0.08 0.01 0.50 -0.24 0.00 0.00 0.00 179.25 179.60 1r2u h VAL 9 N 0.00 0.89 0.00 0.00 3.04 -0.96 0.12 116.25 119.34 1r2u h VAL 9 Ca -0.00 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1r2u h VAL 9 Cb 1.01 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1r2u h VAL 9 CO 0.00 0.11 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.29 1r2u h GLU 10 N 0.59 0.00 0.18 4.17 5.08 -1.70 -3.12 114.58 119.79 1r2u h GLU 10 Ca 0.36 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.41 1r2u h GLU 10 Cb 0.59 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.87 1r2u h GLU 10 CO -0.13 0.05 -1.34 1.96 -1.00 0.00 0.00 179.01 178.55 1r2u h GLN 11 N 0.00 0.49 -7.22 2.33 1.08 -0.97 -3.46 115.11 107.35 1r2u h GLN 11 Ca -0.00 -0.76 -0.52 0.00 -1.45 0.00 0.00 58.65 55.92 1r2u h GLN 11 Cb 0.64 0.27 0.14 0.00 -0.05 0.00 0.00 27.48 28.48 1r2u h GLN 11 CO 0.01 1.35 0.35 -0.51 -0.95 0.00 0.00 178.83 179.08 1r2u s LEU 12 N -7.55 3.22 0.36 1.46 1.43 -1.00 -5.05 118.68 111.54 1r2u s LEU 12 Ca -0.08 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.22 1r2u s LEU 12 Cb 0.05 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 1r2u s LEU 12 CO 0.92 -2.12 0.07 0.42 0.23 0.00 0.00 176.35 175.88 1r2u s THR 13 N -2.38 2.64 0.43 5.49 -4.23 -1.26 -5.01 115.64 111.32 1r2u s THR 13 Ca 0.68 -1.86 0.10 0.00 -1.18 0.00 0.00 61.69 59.44 1r2u s THR 13 Cb -0.23 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 70.95 1r2u s THR 13 CO 0.48 -0.15 2.03 0.44 -0.54 0.00 0.00 174.62 176.87 1r2u h ASP 14 N 1.67 0.25 -0.68 3.99 3.32 -1.98 -2.32 116.42 120.68 1r2u h ASP 14 Ca -0.43 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1r2u h ASP 14 Cb 1.25 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1r2u h ASP 14 CO 0.67 0.27 0.43 -0.33 -1.72 0.00 0.00 179.24 178.56 1r2u h GLU 15 N 0.28 0.82 -0.37 3.56 4.39 -1.98 0.37 114.58 121.65 1r2u h GLU 15 Ca 0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1r2u h GLU 15 Cb 0.12 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1r2u h GLU 15 CO -0.00 0.54 0.19 1.96 -1.16 0.00 0.00 179.01 180.53 1r2u h GLN 16 N 0.84 0.53 0.00 2.33 4.20 -1.83 -1.80 115.11 119.38 1r2u h GLN 16 Ca 0.27 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 1r2u h GLN 16 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1r2u h GLN 16 CO -0.10 0.46 -0.36 0.87 -0.67 0.00 0.00 178.83 179.03 1r2u h LYS 17 N 0.46 0.00 -0.07 1.46 6.56 -1.28 -1.11 116.57 122.59 1r2u h LYS 17 Ca 0.13 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1r2u h LYS 17 Cb 0.10 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1r2u h LYS 17 CO -0.02 0.36 0.02 -0.91 -2.06 0.00 0.00 179.45 176.84 1r2u h ASN 18 N 0.00 0.11 -0.54 0.86 2.35 0.31 0.20 115.58 118.87 1r2u h ASN 18 Ca -0.00 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 1r2u h ASN 18 Cb 0.71 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1r2u h ASN 18 CO 0.05 0.33 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.80 1r2u h GLU 19 N -0.11 0.97 -0.83 0.81 5.08 -1.22 -2.49 114.58 116.80 1r2u h GLU 19 Ca 0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1r2u h GLU 19 Cb 0.26 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1r2u h GLU 19 CO 0.00 0.99 0.49 0.74 -1.00 0.00 0.00 179.01 180.23 1r2u h PHE 20 N 0.85 1.12 -0.60 4.33 -1.00 -1.07 0.12 116.94 120.69 1r2u h PHE 20 Ca 0.15 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1r2u h PHE 20 Cb 0.57 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 1r2u h PHE 20 CO 0.04 0.76 0.22 -0.22 -1.61 0.00 0.00 178.31 177.50 1r2u h LYS 21 N 1.15 0.91 -0.25 1.51 1.63 -0.42 0.15 116.57 121.25 1r2u h LYS 21 Ca 0.30 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.83 1r2u h LYS 21 Cb -0.02 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1r2u h LYS 21 CO -0.05 0.79 -0.19 0.00 -3.45 0.00 0.00 179.45 176.54 1r2u h ALA 22 N 1.08 0.37 0.00 5.00 0.00 -1.09 0.17 119.26 124.78 1r2u h ALA 22 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r2u h ALA 22 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r2u h ALA 22 CO -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 1r2u h ALA 23 N 0.70 1.15 0.00 0.00 0.00 -0.60 -1.65 119.26 118.87 1r2u h ALA 23 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1r2u h ALA 23 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1r2u h ALA 23 CO 0.05 0.09 -0.73 0.35 0.00 0.00 0.00 179.25 179.00 1r2u h PHE 24 N 0.00 0.00 -0.87 0.00 3.57 -0.73 -3.38 116.94 115.53 1r2u h PHE 24 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1r2u h PHE 24 Cb 0.31 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1r2u h PHE 24 CO 0.00 0.85 0.57 0.22 -2.23 0.00 0.00 178.31 177.72 1r2u h ASP 25 N -1.00 0.75 -0.91 0.41 3.58 -0.61 -0.31 116.42 118.34 1r2u h ASP 25 Ca -0.16 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.45 1r2u h ASP 25 Cb 0.91 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.75 1r2u h ASP 25 CO -0.10 0.43 0.58 0.16 -2.88 0.00 0.00 179.24 177.44 1r2u h ILE 26 N 0.83 0.86 0.03 2.25 3.07 -1.48 -0.37 117.51 122.69 1r2u h ILE 26 Ca 0.41 -0.26 -0.26 0.00 1.55 0.00 0.00 64.86 66.30 1r2u h ILE 26 Cb 0.47 0.03 -0.03 0.00 -0.27 0.00 0.00 36.82 37.02 1r2u h ILE 26 CO -0.18 0.14 -1.35 -0.26 -1.05 0.00 0.00 178.15 175.45 1r2u h PHE 27 N 0.76 0.10 -0.79 0.16 -1.00 -1.44 -3.33 116.94 111.40 1r2u h PHE 27 Ca 0.45 -0.07 -0.51 0.00 2.81 0.00 0.00 57.97 60.65 1r2u h PHE 27 Cb 0.65 -0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.99 1r2u h PHE 27 CO -0.00 1.08 0.65 -0.89 -1.61 0.00 0.00 178.31 177.54 1r2u n ILE 28 N -3.27 3.22 0.15 -0.55 2.08 -0.24 -4.47 119.36 116.29 1r2u n ILE 28 Ca -0.09 -2.39 0.01 0.00 0.56 0.00 0.00 62.75 60.84 1r2u n ILE 28 Cb 1.00 -1.27 0.21 0.00 -0.75 0.00 0.00 39.64 38.84 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 1.84 0.00 -0.10 0.38 3.07 -1.36 -3.37 115.11 115.57 1r2u h GLN 29 Ca 0.45 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 59.00 1r2u h GLN 29 Cb 0.83 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 28.18 1r2u h GLN 29 CO 1.17 0.55 -0.45 -3.47 0.09 0.00 0.00 178.83 176.72 1r2u n ASP 30 N -3.72 -0.85 -4.77 0.06 2.03 -1.26 -5.13 116.55 102.90 1r2u n ASP 30 Ca -0.01 -2.19 -0.33 0.00 0.52 0.00 0.00 54.79 52.78 1r2u n ASP 30 Cb 0.59 0.46 0.04 0.00 -0.72 0.00 0.00 41.12 41.48 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -0.69 2.53 -0.02 -1.67 0.00 -1.26 -4.98 121.76 115.67 1r2u s ALA 31 Ca 0.13 0.56 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 1r2u s ALA 31 Cb 0.42 -3.31 -0.20 0.00 0.00 0.00 0.00 23.12 20.03 1r2u s ALA 31 CO -0.11 -1.17 1.21 0.93 0.00 0.00 0.00 175.76 176.63 1r2u h GLU 32 N 0.20 0.10 0.04 0.00 5.08 -1.98 -3.37 114.58 114.65 1r2u h GLU 32 Ca -0.47 -0.07 -0.38 0.00 -1.00 0.00 0.00 59.36 57.44 1r2u h GLU 32 Cb 1.24 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1r2u h GLU 32 CO 0.55 0.64 -2.31 -3.47 -1.00 0.00 0.00 179.01 173.43 1r2u n ASP 33 N -4.72 2.03 0.00 1.42 2.03 -1.26 -5.03 116.55 111.02 1r2u n ASP 33 Ca -0.08 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1r2u n ASP 33 Cb 0.33 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r2u n GLY 34 N 2.14 0.92 3.73 0.27 0.00 -1.26 -5.15 105.19 105.84 1r2u n GLY 34 Ca -0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.47 0.00 -3.52 0.00 -6.64 -0.64 -4.85 119.36 103.23 1r2u n ILE 36 Ca -0.04 -1.59 -0.38 0.00 -1.77 0.00 0.00 62.75 58.97 1r2u n ILE 36 Cb 0.60 -0.35 -0.06 0.00 -1.44 0.00 0.00 39.64 38.39 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -3.61 6.77 0.24 7.28 0.15 -1.26 0.10 113.70 123.37 1r2u s SER 37 Ca 0.34 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 1r2u s SER 37 Cb -0.03 -2.24 0.25 0.00 -1.71 0.00 0.00 66.02 62.29 1r2u s SER 37 CO 0.22 0.31 1.91 0.71 1.20 0.00 0.00 173.24 177.59 1r2u h THR 38 N 3.79 1.26 0.00 6.45 1.35 -1.75 -0.55 112.91 123.46 1r2u h THR 38 Ca -0.51 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1r2u h THR 38 Cb 1.22 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1r2u h THR 38 CO 0.62 0.26 0.00 0.07 -0.25 0.00 0.00 175.52 176.22 1r2u h LYS 39 N 1.34 0.00 -0.49 4.72 2.10 -1.94 -2.88 116.57 119.41 1r2u h LYS 39 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1r2u h LYS 39 Cb -0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1r2u h LYS 39 CO -0.07 0.00 0.00 -1.91 -2.00 0.00 0.00 179.45 175.47 1r2u n GLU 40 N -2.95 3.68 -0.17 0.07 2.13 -0.31 -4.49 120.64 118.60 1r2u n GLU 40 Ca 0.02 -2.84 -0.09 0.00 0.66 0.00 0.00 57.16 54.91 1r2u n GLU 40 Cb 0.35 -1.88 0.05 0.00 0.27 0.00 0.00 31.44 30.22 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1r2u h LEU 41 N 3.22 0.97 -2.54 4.31 6.46 -1.07 -2.39 115.31 124.26 1r2u h LEU 41 Ca 0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1r2u h LEU 41 Cb 1.48 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1r2u h LEU 41 CO 0.26 1.08 0.00 1.23 -0.62 0.00 0.00 178.44 180.38 1r2u h GLY 42 N 0.96 0.00 0.87 3.75 0.00 -1.82 -1.35 103.07 105.48 1r2u h GLY 42 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.12 1r2u h GLY 42 CO 0.04 0.00 -1.74 0.50 0.00 0.00 0.00 176.54 175.34 1r2u h LYS 43 N 0.00 0.38 -0.21 4.80 1.79 -1.75 -3.05 116.57 118.53 1r2u h LYS 43 Ca 0.00 -0.65 -0.18 0.00 -2.18 0.00 0.00 60.65 57.64 1r2u h LYS 43 Cb 0.00 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1r2u h LYS 43 CO 0.00 1.31 -0.58 -0.39 -1.08 0.00 0.00 179.45 178.71 1r2u h VAL 44 N 0.07 1.31 -0.22 0.50 -1.51 -1.28 -3.09 116.25 112.03 1r2u h VAL 44 Ca -0.35 -1.82 -0.14 0.00 -1.23 0.00 0.00 66.70 63.17 1r2u h VAL 44 Cb 2.07 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 32.99 1r2u h VAL 44 CO 0.16 0.57 -0.43 0.00 -1.23 0.00 0.00 177.57 176.65 1r2u h MET 45 N 0.51 0.54 -0.75 5.19 -0.00 -1.43 -3.01 114.93 115.98 1r2u h MET 45 Ca 0.00 -0.29 0.08 0.00 -0.00 0.00 0.00 59.70 59.50 1r2u h MET 45 Cb 1.16 0.01 -0.07 0.00 -0.00 0.00 0.00 31.60 32.70 1r2u h MET 45 CO 0.12 0.87 0.41 0.00 -0.00 0.00 0.00 176.91 178.31 1r2u h ARG 46 N 0.44 0.69 -0.61 -0.10 3.08 -1.48 0.09 114.38 116.49 1r2u h ARG 46 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1r2u h ARG 46 Cb 0.93 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1r2u h ARG 46 CO 0.08 0.46 0.26 0.52 -1.07 0.00 0.00 179.97 180.22 1r2u h MET 47 N 0.71 0.89 -0.34 0.04 2.86 -1.45 -2.63 114.93 115.01 1r2u h MET 47 Ca 0.36 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1r2u h MET 47 Cb 0.31 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1r2u h MET 47 CO -0.23 0.72 0.09 -0.07 1.06 0.00 0.00 176.91 178.48 1r2u h LEU 48 N 0.88 0.51 0.00 1.22 3.38 -0.96 -3.47 115.31 116.86 1r2u h LEU 48 Ca 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r2u h LEU 48 Cb 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1r2u h LEU 48 CO -0.02 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1r2u n GLY 49 N -0.60 -0.21 3.13 0.83 0.00 -0.22 -5.12 105.19 102.99 1r2u n GLY 49 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 0.54 -0.44 1.61 -0.21 -1.10 -4.98 119.66 115.08 1r2u s GLN 50 Ca 0.00 -0.47 0.07 0.00 0.02 0.00 0.00 55.36 54.98 1r2u s GLN 50 Cb 0.00 0.22 0.23 0.00 1.00 0.00 0.00 33.01 34.46 1r2u s GLN 50 CO 0.00 -0.14 0.65 -1.71 -2.12 0.00 0.00 175.29 171.97 1r2u n ASN 51 N 1.23 -1.33 -2.17 5.90 5.15 -1.26 -3.95 115.26 118.83 1r2u n ASN 51 Ca -0.22 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 1r2u n ASN 51 Cb 0.56 0.46 0.00 0.00 -0.53 0.00 0.00 39.78 40.28 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r2u n PRO 52 N 1.81 0.47 -3.54 1.20 -0.04 -1.26 -5.12 135.00 128.52 1r2u n PRO 52 Ca 0.18 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1r2u n PRO 52 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.43 2.16 0.13 0.52 -4.23 -1.26 -4.95 115.64 107.57 1r2u s THR 53 Ca 0.00 -1.31 0.17 0.00 -1.18 0.00 0.00 61.69 59.37 1r2u s THR 53 Cb 0.00 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.46 1r2u s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r2u h PRO 54 N 0.71 0.00 0.14 3.99 0.13 -1.99 -1.75 132.00 133.22 1r2u h PRO 54 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1r2u h PRO 54 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1r2u h PRO 54 CO 0.53 0.45 -1.22 0.93 -0.23 0.00 0.00 178.00 178.45 1r2u h GLU 55 N 0.00 0.30 -0.01 0.86 4.39 -1.99 -3.07 114.58 115.06 1r2u h GLU 55 Ca -0.00 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 1r2u h GLU 55 Cb 1.03 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1r2u h GLU 55 CO 0.06 1.24 0.00 0.93 -1.16 0.00 0.00 179.01 180.08 1r2u h GLU 56 N -0.27 0.01 -0.79 2.33 5.08 -1.96 -2.41 114.58 116.57 1r2u h GLU 56 Ca -0.24 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1r2u h GLU 56 Cb 1.77 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.98 1r2u h GLU 56 CO 0.12 0.19 0.52 1.25 -1.00 0.00 0.00 179.01 180.09 1r2u h LEU 57 N -0.17 0.92 -0.38 1.33 6.46 -1.48 -2.31 115.31 119.67 1r2u h LEU 57 Ca 0.00 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1r2u h LEU 57 Cb 0.18 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1r2u h LEU 57 CO -0.00 0.67 0.22 -0.61 -0.62 0.00 0.00 178.44 178.10 1r2u h GLN 58 N 1.08 0.43 -0.49 1.25 5.75 -1.41 0.32 115.11 122.03 1r2u h GLN 58 Ca 0.29 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1r2u h GLN 58 Cb -0.11 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1r2u h GLN 58 CO -0.06 0.28 0.27 0.93 -2.65 0.00 0.00 178.83 177.61 1r2u h GLU 59 N 0.44 0.67 -0.06 1.69 5.08 -0.94 -2.49 114.58 118.97 1r2u h GLU 59 Ca 0.15 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1r2u h GLU 59 Cb 0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1r2u h GLU 59 CO -0.08 0.49 -0.06 0.52 -1.00 0.00 0.00 179.01 178.88 1r2u h MET 60 N 0.68 0.15 0.03 2.33 2.86 -0.83 -2.54 114.93 117.61 1r2u h MET 60 Ca 0.18 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1r2u h MET 60 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1r2u h MET 60 CO -0.03 0.60 -0.13 0.82 1.06 0.00 0.00 176.91 179.23 1r2u h ILE 61 N -0.28 0.00 -0.99 -1.22 2.04 -0.65 0.36 117.51 116.77 1r2u h ILE 61 Ca 0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.06 1r2u h ILE 61 Cb 0.57 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 1r2u h ILE 61 CO 0.02 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.22 1r2u h ASP 62 N -0.19 0.74 -0.06 1.72 5.19 -1.58 0.19 116.42 122.43 1r2u h ASP 62 Ca -0.00 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1r2u h ASP 62 Cb 0.19 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1r2u h ASP 62 CO -0.07 0.28 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.97 1r2u h GLU 63 N 0.72 0.12 0.00 3.56 4.39 -0.99 -3.17 114.58 119.21 1r2u h GLU 63 Ca 0.56 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.13 1r2u h GLU 63 Cb 0.92 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1r2u h GLU 63 CO -0.34 0.47 -0.39 -0.39 -1.16 0.00 0.00 179.01 177.20 1r2u h VAL 64 N -0.24 1.09 -0.62 3.13 -1.51 0.39 -3.38 116.25 115.10 1r2u h VAL 64 Ca 0.01 -1.43 -0.39 0.00 -1.23 0.00 0.00 66.70 63.66 1r2u h VAL 64 Cb 0.43 1.81 -0.05 0.00 -2.13 0.00 0.00 31.29 31.35 1r2u h VAL 64 CO 0.01 0.38 1.20 -0.62 -1.23 0.00 0.00 177.57 177.31 1r2u s ASP 65 N -6.66 5.42 0.34 4.19 -1.08 0.61 -4.58 116.67 114.92 1r2u s ASP 65 Ca -0.02 -1.57 0.07 0.00 -0.52 0.00 0.00 52.55 50.51 1r2u s ASP 65 Cb 0.13 -2.58 0.75 0.00 -1.46 0.00 0.00 42.92 39.75 1r2u s ASP 65 CO 0.70 -2.62 1.89 1.05 0.52 0.00 0.00 175.17 176.71 1r2u h GLU 66 N 9.72 0.75 0.10 4.34 4.11 -1.83 -2.95 114.58 128.81 1r2u h GLU 66 Ca 0.23 -0.05 -0.32 0.00 0.07 0.00 0.00 59.36 59.29 1r2u h GLU 66 Cb 0.95 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1r2u h GLU 66 CO 1.27 0.50 -1.76 0.38 0.07 0.00 0.00 179.01 179.47 1r2u h ASP 67 N 0.77 0.32 -3.01 3.06 2.03 -1.95 -3.50 116.42 114.15 1r2u h ASP 67 Ca 0.42 -0.83 -0.06 0.00 -0.73 0.00 0.00 57.03 55.82 1r2u h ASP 67 Cb 0.54 -0.10 0.04 0.00 -0.83 0.00 0.00 39.33 38.97 1r2u h ASP 67 CO -0.18 1.75 -0.17 0.61 -1.03 0.00 0.00 179.24 180.22 1r2u n GLY 68 N 1.83 0.34 0.10 7.15 0.00 -1.12 -5.02 105.19 108.47 1r2u n GLY 68 Ca -0.31 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N -1.58 1.87 0.00 1.61 3.41 -1.26 -5.03 113.62 112.64 1r2u n SER 69 Ca -0.05 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1r2u n SER 69 Cb 0.53 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.45 0.53 3.73 5.00 0.00 -1.26 -5.15 105.19 109.49 1r2u n GLY 70 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 4.20 -0.35 2.61 -4.23 -1.26 -2.18 115.64 114.42 1r2u s THR 71 Ca 0.00 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 1r2u s THR 71 Cb 0.00 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.79 1r2u s THR 71 CO 0.00 0.03 0.19 -0.69 -0.54 0.00 0.00 174.62 173.61 1r2u s VAL 72 N -1.50 4.63 0.74 2.29 1.01 0.11 -4.80 120.40 122.88 1r2u s VAL 72 Ca 0.28 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1r2u s VAL 72 Cb -0.11 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 32.94 1r2u s VAL 72 CO 0.20 -0.11 1.01 0.47 0.00 0.00 0.00 175.10 176.68 1r2u n ASP 73 N 5.00 0.58 -0.18 3.32 8.00 -1.26 -1.62 116.55 130.37 1r2u n ASP 73 Ca -0.13 -1.67 -0.06 0.00 0.71 0.00 0.00 54.79 53.65 1r2u n ASP 73 Cb 0.47 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 40.95 1r2u n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r2u h PHE 74 N -1.17 1.03 -0.62 1.24 3.57 -1.97 0.17 116.94 119.19 1r2u h PHE 74 Ca -0.33 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1r2u h PHE 74 Cb 1.03 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1r2u h PHE 74 CO 0.00 0.87 0.37 -0.44 -2.23 0.00 0.00 178.31 176.88 1r2u h ASP 75 N 0.92 0.74 1.35 0.41 5.19 -1.99 0.41 116.42 123.46 1r2u h ASP 75 Ca 0.19 -0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.42 1r2u h ASP 75 Cb 0.40 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1r2u h ASP 75 CO 0.01 0.58 -0.65 -0.33 -3.12 0.00 0.00 179.24 175.73 1r2u h GLU 76 N 0.86 0.00 0.00 3.56 5.08 -1.71 -2.38 114.58 119.98 1r2u h GLU 76 Ca 0.22 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1r2u h GLU 76 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1r2u h GLU 76 CO -0.04 0.65 -0.61 0.35 -1.00 0.00 0.00 179.01 178.35 1r2u h PHE 77 N 0.00 0.00 0.15 4.33 3.57 0.74 -3.27 116.94 122.46 1r2u h PHE 77 Ca -0.01 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.14 1r2u h PHE 77 Cb 1.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.23 1r2u h PHE 77 CO 0.00 0.61 -1.80 -0.07 -2.23 0.00 0.00 178.31 174.82 1r2u h LEU 78 N 0.00 0.50 -2.09 0.59 4.07 -0.24 -3.34 115.31 114.79 1r2u h LEU 78 Ca -0.01 -0.86 0.06 0.00 0.08 0.00 0.00 57.88 57.16 1r2u h LEU 78 Cb 1.33 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 1r2u h LEU 78 CO 0.08 1.74 0.17 -0.37 -1.08 0.00 0.00 178.44 178.97 1r2u h VAL 79 N 0.09 0.75 -1.23 1.22 -1.51 -1.52 -2.40 116.25 111.65 1r2u h VAL 79 Ca -0.36 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.47 1r2u h VAL 79 Cb 2.07 0.88 -0.09 0.00 -2.13 0.00 0.00 31.29 32.02 1r2u h VAL 79 CO 0.15 0.00 0.83 0.24 -1.23 0.00 0.00 177.57 177.56 1r2u h MET 80 N 0.00 0.16 0.14 5.19 2.86 -1.69 0.86 114.93 122.45 1r2u h MET 80 Ca 0.10 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 1r2u h MET 80 Cb 0.43 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.07 1r2u h MET 80 CO -0.00 0.11 -0.82 0.52 1.06 0.00 0.00 176.91 177.78 1r2u h MET 81 N 0.17 0.29 0.02 1.72 2.86 -1.69 -3.37 114.93 114.92 1r2u h MET 81 Ca 0.67 -0.49 -0.21 0.00 -2.06 0.00 0.00 59.70 57.62 1r2u h MET 81 Cb 2.20 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 34.03 1r2u h MET 81 CO -0.22 1.24 -0.93 -0.39 1.06 0.00 0.00 176.91 177.66 1r2u h VAL 82 N -0.39 1.54 -0.08 -2.22 -1.51 -1.19 -3.23 116.25 109.17 1r2u h VAL 82 Ca -0.15 -2.81 0.02 0.00 -1.23 0.00 0.00 66.70 62.53 1r2u h VAL 82 Cb 1.63 2.59 -0.00 0.00 -2.13 0.00 0.00 31.29 33.37 1r2u h VAL 82 CO 0.14 0.82 0.17 0.08 -1.23 0.00 0.00 177.57 177.55 1r2u h ARG 83 N 0.07 0.00 0.00 5.19 -0.00 0.49 0.69 114.38 120.83 1r2u h ARG 83 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1r2u h ARG 83 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.56 1r2u h ARG 83 CO 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 180.11 1r2u h MET 85 N 0.00 -0.91 -4.68 0.00 4.05 -1.07 -3.45 114.93 108.87 1r2u h MET 85 Ca 0.00 0.06 -0.34 0.00 -0.28 0.00 0.00 59.70 59.14 1r2u h MET 85 Cb 0.33 0.21 -0.25 0.00 -0.80 0.00 0.00 31.60 31.08 1r2u h MET 85 CO 0.00 -0.58 -0.76 0.15 0.23 0.00 0.00 176.91 175.95 1r2u s LYS 86 N -5.15 0.61 -0.26 0.39 -0.14 -1.21 -5.13 119.74 108.86 1r2u s LYS 86 Ca -0.16 -0.52 0.03 0.00 -1.36 0.00 0.00 55.97 53.96 1r2u s LYS 86 Cb 0.02 -0.53 0.06 0.00 -1.68 0.00 0.00 37.83 35.70 1r2u s LYS 86 CO 0.51 0.13 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.61 1r2u s ASP 87 N -0.84 4.45 -0.78 2.83 1.11 -1.26 -4.84 116.67 117.33 1r2u s ASP 87 Ca -0.02 -1.40 0.01 0.00 0.18 0.00 0.00 52.55 51.32 1r2u s ASP 87 Cb -0.06 -1.55 0.35 0.00 1.07 0.00 0.00 42.92 42.73 1r2u s ASP 87 CO 0.00 -0.19 1.62 0.47 1.18 0.00 0.00 175.17 178.25 1r2u n ASP 88 N 4.43 6.46 -0.34 0.27 9.92 -1.26 -5.23 116.55 130.80 1r2u n ASP 88 Ca -0.14 -3.75 0.04 0.00 -0.53 0.00 0.00 54.79 50.41 1r2u n ASP 88 Cb 0.42 -0.90 0.04 0.00 -0.64 0.00 0.00 41.12 40.04 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09