#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 0.00 0.00 6.12 -0.87 -1.26 -5.05 114.94 113.89 1r2u s ASN 2 Ca 0.00 -0.19 0.10 0.00 -1.57 0.00 0.00 52.86 51.20 1r2u s ASN 2 Cb 0.00 0.22 0.04 0.00 -0.02 0.00 0.00 41.25 41.49 1r2u s ASN 2 CO 0.00 -0.39 0.73 0.47 -2.57 0.00 0.00 177.10 175.34 1r2u n ASP 3 N 1.37 1.55 0.12 -1.22 9.92 -1.26 -4.52 116.55 122.50 1r2u n ASP 3 Ca -0.22 -1.27 -0.02 0.00 -0.53 0.00 0.00 54.79 52.74 1r2u n ASP 3 Cb 0.56 0.21 0.09 0.00 -0.64 0.00 0.00 41.12 41.34 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r2u h ILE 4 N 1.57 1.45 -0.18 0.53 -0.00 -1.94 -2.79 117.51 116.16 1r2u h ILE 4 Ca 0.00 -2.47 -0.12 0.00 -0.00 0.00 0.00 64.86 62.27 1r2u h ILE 4 Cb 0.38 2.35 -0.01 0.00 -0.00 0.00 0.00 36.82 39.54 1r2u h ILE 4 CO 0.00 0.69 -0.41 1.88 -0.00 0.00 0.00 178.15 180.31 1r2u h TYR 5 N 0.00 0.48 -0.32 0.16 0.05 -1.90 -1.50 116.97 113.94 1r2u h TYR 5 Ca -0.01 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 58.48 1r2u h TYR 5 Cb 1.30 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1r2u h TYR 5 CO 0.00 0.75 -0.42 0.87 -1.05 0.00 0.00 178.16 178.31 1r2u h LYS 6 N 0.33 0.79 -0.08 4.88 1.79 -1.81 -1.28 116.57 121.20 1r2u h LYS 6 Ca 0.03 -0.43 -0.08 0.00 -2.18 0.00 0.00 60.65 57.99 1r2u h LYS 6 Cb 0.87 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1r2u h LYS 6 CO 0.07 1.06 -0.32 0.00 -1.08 0.00 0.00 179.45 179.18 1r2u h ALA 7 N 0.88 1.32 0.00 3.86 0.00 -1.27 -2.57 119.26 121.48 1r2u h ALA 7 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1r2u h ALA 7 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r2u h ALA 7 CO 0.09 0.48 -0.44 0.00 0.00 0.00 0.00 179.25 179.38 1r2u h ALA 8 N 1.54 0.74 -0.24 0.00 0.00 -0.99 -3.33 119.26 116.98 1r2u h ALA 8 Ca 0.02 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1r2u h ALA 8 Cb 0.63 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1r2u h ALA 8 CO 0.05 0.55 -0.20 0.28 0.00 0.00 0.00 179.25 179.93 1r2u h VAL 9 N 0.00 0.46 0.00 0.00 2.07 -0.80 0.50 116.25 118.47 1r2u h VAL 9 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1r2u h VAL 9 Cb 1.29 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1r2u h VAL 9 CO 0.06 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.32 1r2u h GLU 10 N -0.20 0.00 0.09 1.57 5.08 -1.67 -2.98 114.58 116.46 1r2u h GLU 10 Ca 0.14 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.16 1r2u h GLU 10 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1r2u h GLU 10 CO -0.36 0.00 -1.84 1.96 -1.00 0.00 0.00 179.01 177.76 1r2u h GLN 11 N 0.00 0.19 -6.35 2.33 1.08 -0.94 -3.46 115.11 107.96 1r2u h GLN 11 Ca 0.00 -0.33 -0.61 0.00 -1.45 0.00 0.00 58.65 56.26 1r2u h GLN 11 Cb 0.36 0.12 0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1r2u h GLN 11 CO 0.00 1.00 0.97 1.28 -0.95 0.00 0.00 178.83 181.12 1r2u n LEU 12 N -3.36 3.22 -4.49 1.46 4.77 0.15 -4.97 117.00 113.79 1r2u n LEU 12 Ca -0.25 1.02 -0.23 0.00 -0.03 0.00 0.00 56.01 56.51 1r2u n LEU 12 Cb 1.05 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 1r2u n LEU 12 CO 0.45 -0.18 -0.26 0.42 -1.33 0.00 0.00 177.39 176.49 1r2u s THR 13 N 2.84 1.17 0.46 -5.08 -4.23 -1.26 -5.01 115.64 104.53 1r2u s THR 13 Ca 0.88 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.54 1r2u s THR 13 Cb -0.71 -2.71 0.32 0.00 1.34 0.00 0.00 72.50 70.74 1r2u s THR 13 CO 0.47 0.00 2.02 -0.78 -0.54 0.00 0.00 174.62 175.80 1r2u h ASP 14 N 1.99 0.27 -0.09 3.99 1.82 -1.99 -1.33 116.42 121.09 1r2u h ASP 14 Ca -0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 1r2u h ASP 14 Cb 1.25 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1r2u h ASP 14 CO 0.69 0.17 0.01 -0.33 -1.61 0.00 0.00 179.24 178.18 1r2u h GLU 15 N 0.31 0.14 -0.23 0.28 4.39 -1.98 0.12 114.58 117.61 1r2u h GLU 15 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1r2u h GLU 15 Cb 0.42 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1r2u h GLU 15 CO -0.05 0.35 0.15 1.96 -1.16 0.00 0.00 179.01 180.27 1r2u h GLN 16 N -0.09 0.30 -0.59 2.33 1.08 -1.71 0.14 115.11 116.56 1r2u h GLN 16 Ca 0.03 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1r2u h GLN 16 Cb 0.28 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1r2u h GLN 16 CO 0.00 0.21 0.24 0.87 -0.95 0.00 0.00 178.83 179.20 1r2u h LYS 17 N 0.31 0.86 -0.44 1.46 6.56 -1.24 -1.79 116.57 122.28 1r2u h LYS 17 Ca 0.08 -0.13 -0.08 0.00 -1.06 0.00 0.00 60.65 59.46 1r2u h LYS 17 Cb -0.03 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.46 1r2u h LYS 17 CO -0.02 0.70 -0.06 -0.91 -2.06 0.00 0.00 179.45 177.10 1r2u h ASN 18 N 0.85 0.74 0.53 0.86 2.35 -0.07 0.40 115.58 121.24 1r2u h ASN 18 Ca 0.20 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1r2u h ASN 18 Cb 0.15 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1r2u h ASN 18 CO -0.02 0.84 -0.25 -0.33 -1.65 0.00 0.00 177.43 176.02 1r2u h GLU 19 N 0.70 -0.68 -0.42 0.81 4.39 0.06 -0.53 114.58 118.92 1r2u h GLU 19 Ca 0.13 0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.72 1r2u h GLU 19 Cb 0.52 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1r2u h GLU 19 CO 0.03 -0.41 -0.34 0.74 -1.16 0.00 0.00 179.01 177.88 1r2u h PHE 20 N -0.81 1.14 0.09 4.33 0.04 -1.33 -1.90 116.94 118.49 1r2u h PHE 20 Ca -0.07 -0.32 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1r2u h PHE 20 Cb 0.59 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1r2u h PHE 20 CO -0.02 1.15 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.58 1r2u h LYS 21 N 0.80 -0.11 -0.50 1.51 1.63 -0.19 0.12 116.57 119.83 1r2u h LYS 21 Ca 0.08 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1r2u h LYS 21 Cb 0.93 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1r2u h LYS 21 CO 0.09 -0.02 0.19 0.00 -3.45 0.00 0.00 179.45 176.25 1r2u h ALA 22 N 0.73 0.65 0.00 5.00 0.00 -1.14 0.19 119.26 124.70 1r2u h ALA 22 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1r2u h ALA 22 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r2u h ALA 22 CO 0.02 0.27 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 1r2u h ALA 23 N 1.04 1.14 0.00 0.00 0.00 -1.19 -1.80 119.26 118.45 1r2u h ALA 23 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1r2u h ALA 23 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1r2u h ALA 23 CO -0.01 0.07 -0.47 0.35 0.00 0.00 0.00 179.25 179.19 1r2u h PHE 24 N 0.00 0.00 -0.82 0.00 3.57 0.08 -3.38 116.94 116.39 1r2u h PHE 24 Ca -0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1r2u h PHE 24 Cb 0.28 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1r2u h PHE 24 CO 0.00 0.58 0.54 0.22 -2.23 0.00 0.00 178.31 177.41 1r2u h ASP 25 N -1.00 0.71 -0.88 0.41 3.58 -0.58 -0.89 116.42 117.78 1r2u h ASP 25 Ca -0.09 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.50 1r2u h ASP 25 Cb 0.68 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 1r2u h ASP 25 CO -0.05 0.43 0.57 0.16 -2.88 0.00 0.00 179.24 177.46 1r2u h ILE 26 N 0.79 0.89 0.00 2.25 3.07 -1.51 -1.15 117.51 121.85 1r2u h ILE 26 Ca 0.38 -0.26 -0.23 0.00 1.55 0.00 0.00 64.86 66.30 1r2u h ILE 26 Cb 0.41 0.07 -0.04 0.00 -0.27 0.00 0.00 36.82 36.99 1r2u h ILE 26 CO -0.15 0.14 -1.38 -0.26 -1.05 0.00 0.00 178.15 175.45 1r2u h PHE 27 N 0.75 0.00 -0.62 0.16 0.04 -1.51 -3.33 116.94 112.44 1r2u h PHE 27 Ca 0.43 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.84 1r2u h PHE 27 Cb 0.59 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.56 1r2u h PHE 27 CO -0.00 0.87 0.46 -0.89 -0.60 0.00 0.00 178.31 178.14 1r2u n ILE 28 N -3.10 2.60 0.01 -0.55 2.08 -0.42 -4.36 119.36 115.63 1r2u n ILE 28 Ca -0.10 -1.48 -0.08 0.00 0.56 0.00 0.00 62.75 61.66 1r2u n ILE 28 Cb 0.95 -0.89 0.10 0.00 -0.75 0.00 0.00 39.64 39.05 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 0.97 0.50 -0.33 0.38 3.07 -1.45 -3.36 115.11 114.89 1r2u h GLN 29 Ca 0.39 -0.29 -0.23 0.00 0.09 0.00 0.00 58.65 58.61 1r2u h GLN 29 Cb 1.71 0.02 -0.31 0.00 0.08 0.00 0.00 27.48 28.99 1r2u h GLN 29 CO 0.79 0.88 -0.82 -0.25 0.09 0.00 0.00 178.83 179.52 1r2u n ASP 30 N -3.98 0.40 -4.77 0.06 8.00 -1.26 -5.13 116.55 109.86 1r2u n ASP 30 Ca -0.02 -2.18 -0.34 0.00 0.71 0.00 0.00 54.79 52.96 1r2u n ASP 30 Cb 0.56 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r2u s ALA 31 N -2.27 2.59 -0.01 2.24 0.00 -1.26 -4.98 121.76 118.07 1r2u s ALA 31 Ca 0.21 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 1r2u s ALA 31 Cb 0.38 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.99 1r2u s ALA 31 CO -0.06 -1.01 1.21 0.93 0.00 0.00 0.00 175.76 176.83 1r2u h GLU 32 N 0.60 -0.20 0.00 0.00 5.08 -1.97 -3.35 114.58 114.74 1r2u h GLU 32 Ca -0.48 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 57.61 1r2u h GLU 32 Cb 1.25 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1r2u h GLU 32 CO 0.56 0.18 -2.05 -0.40 -1.00 0.00 0.00 179.01 176.30 1r2u n ASP 33 N -4.99 0.31 0.00 1.42 5.75 -1.26 -5.00 116.55 112.78 1r2u n ASP 33 Ca -0.09 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1r2u n ASP 33 Cb 0.25 0.78 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r2u n GLY 34 N 1.59 1.96 3.50 6.12 0.00 -1.26 -5.13 105.19 111.97 1r2u n GLY 34 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.01 2.02 -0.05 0.00 -5.25 -1.09 -4.84 121.20 108.98 1r2u s ILE 36 Ca 0.30 -1.14 -0.15 0.00 -0.99 0.00 0.00 60.65 58.67 1r2u s ILE 36 Cb -0.01 -2.16 -0.05 0.00 2.95 0.00 0.00 42.46 43.19 1r2u s ILE 36 CO 0.20 0.00 0.41 -0.55 -1.79 0.00 0.00 174.94 173.22 1r2u s SER 37 N -4.55 6.74 0.30 4.36 0.15 -1.26 -0.43 113.70 119.01 1r2u s SER 37 Ca 0.54 0.88 0.02 0.00 0.70 0.00 0.00 55.95 58.09 1r2u s SER 37 Cb -0.05 -2.25 0.59 0.00 -1.71 0.00 0.00 66.02 62.60 1r2u s SER 37 CO 0.34 0.22 1.87 0.71 1.20 0.00 0.00 173.24 177.59 1r2u h THR 38 N 4.06 0.97 0.00 6.45 1.35 -1.65 0.57 112.91 124.67 1r2u h THR 38 Ca -0.48 -0.33 -0.11 0.00 -0.55 0.00 0.00 66.41 64.95 1r2u h THR 38 Cb 1.20 -0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1r2u h THR 38 CO 0.66 0.18 -0.50 0.11 -0.25 0.00 0.00 175.52 175.72 1r2u h LYS 39 N 0.96 0.00 -0.82 4.72 1.79 -1.94 -2.94 116.57 118.35 1r2u h LYS 39 Ca 0.44 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.74 1r2u h LYS 39 Cb 0.40 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.95 1r2u h LYS 39 CO -0.20 0.50 0.22 0.39 -1.08 0.00 0.00 179.45 179.28 1r2u n GLU 40 N -3.78 3.12 -0.16 3.15 1.02 0.14 -4.27 120.64 119.85 1r2u n GLU 40 Ca -0.01 -2.39 0.06 0.00 -0.02 0.00 0.00 57.16 54.80 1r2u n GLU 40 Cb 0.54 -2.02 0.18 0.00 -0.02 0.00 0.00 31.44 30.13 1r2u n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r2u n LEU 41 N -0.07 1.81 -0.09 -4.62 7.94 -0.84 -3.82 117.00 117.30 1r2u n LEU 41 Ca 0.32 -0.89 -0.09 0.00 -1.11 0.00 0.00 56.01 54.24 1r2u n LEU 41 Cb 1.17 -0.21 -0.16 0.00 0.53 0.00 0.00 43.42 44.75 1r2u n LEU 41 CO 0.35 0.44 -1.12 0.61 -1.11 0.00 0.00 177.39 176.56 1r2u n GLY 42 N 1.06 -1.00 0.15 -3.96 0.00 -1.26 -4.17 105.19 96.01 1r2u n GLY 42 Ca 0.12 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1r2u n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r2u h LYS 43 N 0.00 0.00 0.00 1.61 2.10 -1.90 -3.18 116.57 115.20 1r2u h LYS 43 Ca -0.52 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 57.98 1r2u h LYS 43 Cb 2.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.50 1r2u h LYS 43 CO 0.03 0.49 -0.72 -0.39 -2.00 0.00 0.00 179.45 176.86 1r2u h VAL 44 N 0.00 1.47 -0.30 0.07 -1.51 -1.76 -3.10 116.25 111.12 1r2u h VAL 44 Ca -0.00 -2.51 -0.03 0.00 -1.23 0.00 0.00 66.70 62.93 1r2u h VAL 44 Cb 1.23 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 1r2u h VAL 44 CO 0.06 0.71 0.05 0.24 -1.23 0.00 0.00 177.57 177.40 1r2u h MET 45 N 0.00 0.43 -0.80 5.19 2.86 -1.71 -2.10 114.93 118.81 1r2u h MET 45 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1r2u h MET 45 Cb 1.31 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 1r2u h MET 45 CO 0.09 0.42 0.47 0.00 1.06 0.00 0.00 176.91 178.95 1r2u h ARG 46 N 0.43 1.09 -0.32 1.72 3.08 -1.52 -2.04 114.38 116.82 1r2u h ARG 46 Ca 0.10 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1r2u h ARG 46 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1r2u h ARG 46 CO -0.00 0.78 -0.16 0.52 -1.07 0.00 0.00 179.97 180.05 1r2u h MET 47 N 1.10 0.56 -0.71 0.04 2.86 -1.48 -2.88 114.93 114.41 1r2u h MET 47 Ca 0.28 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1r2u h MET 47 Cb -0.02 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1r2u h MET 47 CO -0.05 0.70 0.46 -0.07 1.06 0.00 0.00 176.91 179.01 1r2u h LEU 48 N 0.51 0.83 0.00 1.22 -0.00 -0.92 -3.47 115.31 113.48 1r2u h LEU 48 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1r2u h LEU 48 Cb 0.56 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1r2u h LEU 48 CO 0.04 0.61 0.00 0.61 -0.00 0.00 0.00 178.44 179.70 1r2u n GLY 49 N -1.26 1.56 3.92 0.83 0.00 -0.96 -5.12 105.19 104.17 1r2u n GLY 49 Ca 0.06 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1r2u n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r2u s GLN 50 N 0.00 2.11 -0.44 1.61 -2.07 -1.14 -4.96 119.66 114.78 1r2u s GLN 50 Ca 0.00 -0.13 0.05 0.00 -1.82 0.00 0.00 55.36 53.46 1r2u s GLN 50 Cb 0.00 -2.09 0.17 0.00 -1.09 0.00 0.00 33.01 30.00 1r2u s GLN 50 CO 0.00 -1.36 0.51 1.21 -1.32 0.00 0.00 175.29 174.32 1r2u s ASN 51 N -4.54 0.09 0.75 12.60 3.84 -1.26 -3.29 114.94 123.13 1r2u s ASN 51 Ca 0.61 -1.97 0.00 0.00 0.21 0.00 0.00 52.86 51.70 1r2u s ASN 51 Cb -0.11 0.87 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 1r2u s ASN 51 CO 0.46 -0.16 0.00 -0.81 -2.79 0.00 0.00 177.10 173.81 1r2u n PRO 52 N 3.43 0.29 -3.41 0.43 -0.04 -1.26 -5.11 135.00 129.34 1r2u n PRO 52 Ca 0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.51 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.59 3.26 0.31 0.52 -4.23 -1.26 -4.95 115.64 108.70 1r2u s THR 53 Ca 0.00 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1r2u s THR 53 Cb 0.00 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.82 1r2u s THR 53 CO 0.00 -0.07 1.80 1.55 -0.54 0.00 0.00 174.62 177.36 1r2u h PRO 54 N 0.91 0.00 0.06 3.99 0.13 -1.99 -0.86 132.00 134.24 1r2u h PRO 54 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 1r2u h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1r2u h PRO 54 CO 0.52 0.38 -1.35 1.05 -0.23 0.00 0.00 178.00 178.38 1r2u h GLU 55 N 0.00 0.12 0.21 0.86 4.11 -1.99 -3.00 114.58 114.89 1r2u h GLU 55 Ca -0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1r2u h GLU 55 Cb 0.75 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1r2u h GLU 55 CO 0.05 0.97 -0.10 1.49 0.07 0.00 0.00 179.01 181.49 1r2u h GLU 56 N 0.03 -0.27 -0.05 1.06 4.81 -1.91 -3.19 114.58 115.06 1r2u h GLU 56 Ca -0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1r2u h GLU 56 Cb 1.92 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.36 1r2u h GLU 56 CO 0.14 0.11 0.03 1.37 -0.73 0.00 0.00 179.01 179.94 1r2u h LEU 57 N -0.85 0.00 -0.37 1.64 8.10 -1.32 -2.13 115.31 120.38 1r2u h LEU 57 Ca -0.03 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.01 1r2u h LEU 57 Cb 0.51 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.69 1r2u h LEU 57 CO 0.05 0.00 0.11 -0.61 -4.11 0.00 0.00 178.44 173.88 1r2u h GLN 58 N 0.00 0.25 -0.58 0.17 -0.00 -1.52 -0.28 115.11 113.15 1r2u h GLN 58 Ca 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.61 1r2u h GLN 58 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 1r2u h GLN 58 CO -0.00 0.16 0.17 0.93 0.00 0.00 0.00 178.83 180.09 1r2u h GLU 59 N 0.25 0.88 -0.41 1.69 5.08 -1.38 -2.77 114.58 117.92 1r2u h GLU 59 Ca 0.17 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1r2u h GLU 59 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1r2u h GLU 59 CO -0.19 0.77 0.22 0.52 -1.00 0.00 0.00 179.01 179.33 1r2u h MET 60 N 0.85 0.58 0.05 2.33 2.86 -1.08 -1.51 114.93 119.00 1r2u h MET 60 Ca 0.19 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1r2u h MET 60 Cb 0.27 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1r2u h MET 60 CO -0.01 0.47 -0.07 0.82 1.06 0.00 0.00 176.91 179.19 1r2u h ILE 61 N 0.53 0.00 -0.91 -1.22 2.04 -0.81 0.25 117.51 117.39 1r2u h ILE 61 Ca 0.14 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.20 1r2u h ILE 61 Cb 0.07 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.08 1r2u h ILE 61 CO -0.02 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.16 1r2u h ASP 62 N -0.13 0.49 0.11 1.72 3.32 -1.57 0.17 116.42 120.52 1r2u h ASP 62 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1r2u h ASP 62 Cb 0.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1r2u h ASP 62 CO -0.02 0.20 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.32 1r2u h GLU 63 N 0.49 -0.14 0.00 3.56 4.39 -0.91 -3.20 114.58 118.77 1r2u h GLU 63 Ca 0.48 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.12 1r2u h GLU 63 Cb 1.08 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1r2u h GLU 63 CO -0.21 0.22 -0.31 -0.39 -1.16 0.00 0.00 179.01 177.17 1r2u h VAL 64 N -0.53 0.75 -1.22 3.13 -1.51 0.10 -3.43 116.25 113.55 1r2u h VAL 64 Ca -0.01 -1.33 -0.46 0.00 -1.23 0.00 0.00 66.70 63.67 1r2u h VAL 64 Cb 0.43 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1r2u h VAL 64 CO 0.02 0.30 1.64 -0.67 -1.23 0.00 0.00 177.57 177.63 1r2u n ASP 65 N -3.49 1.84 0.08 4.19 -0.08 0.54 -4.59 116.55 115.04 1r2u n ASP 65 Ca -0.00 -0.39 -0.19 0.00 -1.51 0.00 0.00 54.79 52.70 1r2u n ASP 65 Cb 0.47 -1.44 -0.11 0.00 2.34 0.00 0.00 41.12 42.38 1r2u n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1r2u h GLU 66 N 17.82 0.54 0.11 -0.67 4.39 -1.88 -3.36 114.58 131.54 1r2u h GLU 66 Ca -0.19 -0.69 -0.24 0.00 0.34 0.00 0.00 59.36 58.57 1r2u h GLU 66 Cb 1.27 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1r2u h GLU 66 CO 1.21 1.29 -1.23 -0.44 -1.16 0.00 0.00 179.01 178.69 1r2u h ASP 67 N 0.25 0.36 -1.89 1.42 3.32 -1.94 -3.49 116.42 114.46 1r2u h ASP 67 Ca -0.15 -0.86 -0.08 0.00 0.02 0.00 0.00 57.03 55.96 1r2u h ASP 67 Cb 1.82 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 41.28 1r2u h ASP 67 CO 0.21 1.54 -0.14 0.61 -1.72 0.00 0.00 179.24 179.75 1r2u n GLY 68 N 1.70 0.62 0.09 2.75 0.00 -1.26 -4.99 105.19 104.10 1r2u n GLY 68 Ca -0.23 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 0.63 1.87 0.00 1.61 3.41 -1.26 -5.04 113.62 114.83 1r2u n SER 69 Ca -0.00 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1r2u n SER 69 Cb 0.51 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.50 0.68 3.78 5.00 0.00 -1.26 -5.14 105.19 109.74 1r2u n GLY 70 Ca -0.20 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 4.53 -0.32 2.61 -4.23 -1.26 -1.70 115.64 115.27 1r2u s THR 71 Ca 0.00 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1r2u s THR 71 Cb 0.00 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1r2u s THR 71 CO 0.00 0.11 0.22 -0.69 -0.54 0.00 0.00 174.62 173.73 1r2u s VAL 72 N -1.40 5.29 0.78 2.29 1.01 0.43 -4.82 120.40 123.98 1r2u s VAL 72 Ca 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 1r2u s VAL 72 Cb -0.12 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.72 1r2u s VAL 72 CO 0.22 0.09 1.10 -1.81 0.00 0.00 0.00 175.10 174.70 1r2u s ASP 73 N 1.74 4.32 0.54 3.32 1.11 -1.26 -2.69 116.67 123.75 1r2u s ASP 73 Ca 0.06 0.34 0.27 0.00 0.18 0.00 0.00 52.55 53.41 1r2u s ASP 73 Cb -0.17 -0.80 1.54 0.00 1.07 0.00 0.00 42.92 44.57 1r2u s ASP 73 CO 0.11 -1.94 2.13 0.15 1.18 0.00 0.00 175.17 176.80 1r2u h PHE 74 N -0.89 0.00 0.31 4.23 3.57 -1.98 -0.98 116.94 121.21 1r2u h PHE 74 Ca -0.43 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1r2u h PHE 74 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1r2u h PHE 74 CO -0.08 0.08 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.49 1r2u h ASP 75 N 0.00 -0.36 0.80 0.41 5.19 -2.00 -2.23 116.42 118.24 1r2u h ASP 75 Ca -0.00 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1r2u h ASP 75 Cb 0.22 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1r2u h ASP 75 CO 0.01 0.05 0.00 -1.84 -3.12 0.00 0.00 179.24 174.34 1r2u n GLU 76 N -5.11 0.09 0.09 3.56 0.28 -1.15 -2.72 120.64 115.69 1r2u n GLU 76 Ca -0.09 0.24 -0.17 0.00 -0.16 0.00 0.00 57.16 56.98 1r2u n GLU 76 Cb 0.27 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.39 1r2u n GLU 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1r2u h PHE 77 N 0.00 0.69 0.09 -1.84 3.57 -1.06 -3.31 116.94 115.08 1r2u h PHE 77 Ca 0.00 -0.44 -0.26 0.00 3.53 0.00 0.00 57.97 60.80 1r2u h PHE 77 Cb 0.40 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1r2u h PHE 77 CO 0.00 1.30 -1.14 -0.07 -2.23 0.00 0.00 178.31 176.17 1r2u h LEU 78 N 0.19 0.46 -2.46 0.59 3.38 -1.19 -3.25 115.31 113.02 1r2u h LEU 78 Ca -0.14 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.40 1r2u h LEU 78 Cb 1.83 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1r2u h LEU 78 CO 0.20 1.31 0.05 -0.37 0.09 0.00 0.00 178.44 179.72 1r2u h VAL 79 N 0.12 0.45 -1.10 1.22 -1.51 -1.63 -2.27 116.25 111.54 1r2u h VAL 79 Ca -0.12 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.66 1r2u h VAL 79 Cb 1.84 0.96 -0.07 0.00 -2.13 0.00 0.00 31.29 31.89 1r2u h VAL 79 CO 0.19 0.00 0.76 0.24 -1.23 0.00 0.00 177.57 177.53 1r2u h MET 80 N 0.00 0.15 0.18 5.19 2.86 -1.64 0.38 114.93 122.05 1r2u h MET 80 Ca 0.02 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.34 1r2u h MET 80 Cb 0.13 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 80 CO -0.00 0.10 -1.40 0.00 1.06 0.00 0.00 176.91 176.67 1r2u h MET 81 N 0.15 0.38 0.05 1.72 -0.00 -1.65 -3.35 114.93 112.24 1r2u h MET 81 Ca 0.57 -0.66 -0.23 0.00 -0.00 0.00 0.00 59.70 59.38 1r2u h MET 81 Cb 1.92 0.24 -0.02 0.00 -0.00 0.00 0.00 31.60 33.75 1r2u h MET 81 CO -0.13 1.30 -1.08 -0.39 -0.00 0.00 0.00 176.91 176.62 1r2u h VAL 82 N 0.10 1.63 0.00 -0.10 -1.51 -1.16 -3.24 116.25 111.97 1r2u h VAL 82 Ca -0.21 -3.24 0.00 0.00 -1.23 0.00 0.00 66.70 62.02 1r2u h VAL 82 Cb 2.07 2.86 0.00 0.00 -2.13 0.00 0.00 31.29 34.09 1r2u h VAL 82 CO 0.23 0.93 0.00 0.08 -1.23 0.00 0.00 177.57 177.58 1r2u h ARG 83 N 0.03 0.00 -0.01 5.19 -0.00 -0.47 -1.57 114.38 117.55 1r2u h ARG 83 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.89 1r2u h ARG 83 Cb 1.83 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.79 1r2u h ARG 83 CO 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 179.97 179.99 1r2u h MET 85 N 0.01 1.07 -2.52 0.00 2.86 -1.50 -3.48 114.93 111.36 1r2u h MET 85 Ca 0.00 -0.06 0.30 0.00 -2.06 0.00 0.00 59.70 57.88 1r2u h MET 85 Cb 0.26 -0.24 -0.09 0.00 0.06 0.00 0.00 31.60 31.59 1r2u h MET 85 CO 0.02 0.70 -0.50 1.63 1.06 0.00 0.00 176.91 179.83 1r2u n LYS 86 N -4.41 -2.31 -2.44 1.72 5.02 -0.85 -4.40 118.16 110.49 1r2u n LYS 86 Ca 0.09 1.59 -0.38 0.00 -2.02 0.00 0.00 58.31 57.59 1r2u n LYS 86 Cb 0.03 -2.79 -0.03 0.00 -0.02 0.00 0.00 35.03 32.21 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r2u s ASP 87 N -6.21 6.17 -0.90 4.39 1.11 -1.26 -4.89 116.67 115.07 1r2u s ASP 87 Ca 0.00 -1.24 -0.06 0.00 0.18 0.00 0.00 52.55 51.43 1r2u s ASP 87 Cb 0.00 -2.57 0.23 0.00 1.07 0.00 0.00 42.92 41.65 1r2u s ASP 87 CO 0.00 -1.81 0.82 -0.62 1.18 0.00 0.00 175.17 174.73 1r2u s ASP 88 N 5.70 6.38 0.00 0.27 -1.08 -1.26 -5.22 116.67 121.46 1r2u s ASP 88 Ca 0.52 -3.37 0.00 0.00 -0.52 0.00 0.00 52.55 49.18 1r2u s ASP 88 Cb -0.02 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1r2u s ASP 88 CO -0.07 -0.31 0.00 -1.20 0.52 0.00 0.00 175.17 174.11