#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 0.04 0.00 7.83 -0.87 -1.26 -5.02 114.94 115.66 1r2u s ASN 2 Ca 0.00 0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.42 1r2u s ASN 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.25 41.27 1r2u s ASN 2 CO 0.00 -0.14 0.88 0.47 -2.57 0.00 0.00 177.10 175.74 1r2u n ASP 3 N 4.22 1.81 0.19 -1.22 9.92 -1.26 -4.62 116.55 125.58 1r2u n ASP 3 Ca -0.27 -1.70 0.06 0.00 -0.53 0.00 0.00 54.79 52.35 1r2u n ASP 3 Cb 0.50 -0.02 0.28 0.00 -0.64 0.00 0.00 41.12 41.24 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 0.28 0.75 -0.07 0.53 -2.65 -1.98 -2.63 117.51 111.75 1r2u h ILE 4 Ca 0.00 -1.59 -0.13 0.00 1.03 0.00 0.00 64.86 64.17 1r2u h ILE 4 Cb 0.38 2.03 -0.01 0.00 -2.05 0.00 0.00 36.82 37.17 1r2u h ILE 4 CO 0.00 0.35 -0.54 1.88 0.03 0.00 0.00 178.15 179.87 1r2u h TYR 5 N 0.00 0.24 0.04 0.16 0.05 -1.97 0.11 116.97 115.60 1r2u h TYR 5 Ca -0.00 -0.08 -0.28 0.00 0.05 0.00 0.00 58.73 58.42 1r2u h TYR 5 Cb 1.00 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 38.72 1r2u h TYR 5 CO 0.00 0.69 -1.10 0.87 -1.05 0.00 0.00 178.16 177.56 1r2u h LYS 6 N 0.15 0.68 0.00 4.88 1.79 -1.84 -0.37 116.57 121.86 1r2u h LYS 6 Ca 0.00 -0.78 -0.10 0.00 -2.18 0.00 0.00 60.65 57.59 1r2u h LYS 6 Cb 1.00 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 1r2u h LYS 6 CO 0.08 1.35 -0.45 0.00 -1.08 0.00 0.00 179.45 179.34 1r2u h ALA 7 N 0.36 0.90 0.00 3.86 0.00 -1.41 -3.19 119.26 119.79 1r2u h ALA 7 Ca -0.15 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1r2u h ALA 7 Cb 1.76 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1r2u h ALA 7 CO 0.22 0.57 -1.33 0.00 0.00 0.00 0.00 179.25 178.70 1r2u h ALA 8 N 1.55 0.61 -0.70 0.00 0.00 -0.76 -3.35 119.26 116.61 1r2u h ALA 8 Ca -0.00 -1.11 0.13 0.00 0.00 0.00 0.00 54.91 53.92 1r2u h ALA 8 Cb 1.05 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1r2u h ALA 8 CO 0.06 1.30 0.47 -0.24 0.00 0.00 0.00 179.25 180.84 1r2u h VAL 9 N 0.00 0.84 0.00 0.00 3.04 -1.04 0.28 116.25 119.37 1r2u h VAL 9 Ca -0.15 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 1r2u h VAL 9 Cb 1.82 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1r2u h VAL 9 CO 0.09 0.08 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.31 1r2u h GLU 10 N 0.42 0.00 0.00 4.17 5.08 -1.69 -3.18 114.58 119.38 1r2u h GLU 10 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1r2u h GLU 10 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1r2u h GLU 10 CO -0.10 0.09 -1.52 1.04 -1.00 0.00 0.00 179.01 177.52 1r2u n GLN 11 N -3.15 0.63 -1.56 2.33 1.13 0.72 -4.87 117.38 112.61 1r2u n GLN 11 Ca 0.02 0.22 -0.46 0.00 -1.94 0.00 0.00 57.00 54.84 1r2u n GLN 11 Cb 0.48 -1.79 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 1r2u n GLN 11 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1r2u n LEU 12 N -2.90 2.93 -4.83 1.08 4.77 0.38 -4.95 117.00 113.49 1r2u n LEU 12 Ca -0.12 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 1r2u n LEU 12 Cb 0.88 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1r2u n LEU 12 CO 0.43 -0.63 -0.05 0.42 -1.33 0.00 0.00 177.39 176.23 1r2u s THR 13 N 7.60 2.46 0.49 -5.08 -4.23 -1.26 -5.01 115.64 110.61 1r2u s THR 13 Ca 1.03 -1.48 0.14 0.00 -1.18 0.00 0.00 61.69 60.20 1r2u s THR 13 Cb -0.53 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 70.64 1r2u s THR 13 CO 0.41 0.00 2.13 0.44 -0.54 0.00 0.00 174.62 177.06 1r2u h ASP 14 N 1.15 0.11 0.05 3.99 3.32 -1.99 -2.33 116.42 120.72 1r2u h ASP 14 Ca -0.42 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1r2u h ASP 14 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1r2u h ASP 14 CO 0.62 0.08 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.87 1r2u h GLU 15 N 0.13 -0.06 -0.32 3.56 5.08 -1.98 0.34 114.58 121.33 1r2u h GLU 15 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1r2u h GLU 15 Cb -0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1r2u h GLU 15 CO -0.01 0.15 0.12 -0.56 -1.00 0.00 0.00 179.01 177.71 1r2u h GLN 16 N -0.26 0.45 0.00 2.33 -0.00 -1.84 -1.39 115.11 114.39 1r2u h GLN 16 Ca -0.01 -0.05 -0.19 0.00 -0.00 0.00 0.00 58.65 58.40 1r2u h GLN 16 Cb 0.24 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.60 1r2u h GLN 16 CO 0.01 0.39 -0.88 0.87 -0.00 0.00 0.00 178.83 179.21 1r2u h LYS 17 N 0.45 0.00 -0.30 0.06 6.56 -1.25 -2.59 116.57 119.50 1r2u h LYS 17 Ca 0.11 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.62 1r2u h LYS 17 Cb 0.11 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1r2u h LYS 17 CO -0.01 0.88 -0.12 -0.91 -2.06 0.00 0.00 179.45 177.24 1r2u h ASN 18 N 0.00 0.62 -0.26 0.86 2.35 0.49 0.31 115.58 119.96 1r2u h ASN 18 Ca -0.01 -0.39 -0.05 0.00 -0.55 0.00 0.00 56.30 55.30 1r2u h ASN 18 Cb 1.65 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.84 1r2u h ASN 18 CO 0.11 0.87 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.42 1r2u h GLU 19 N 0.37 0.47 -0.56 0.81 5.08 -1.35 -0.08 114.58 119.32 1r2u h GLU 19 Ca 0.07 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 19 Cb 0.62 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1r2u h GLU 19 CO 0.04 0.65 0.24 0.74 -1.00 0.00 0.00 179.01 179.68 1r2u h PHE 20 N 0.23 0.83 -0.50 4.33 -1.00 -1.42 0.24 116.94 119.65 1r2u h PHE 20 Ca 0.07 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1r2u h PHE 20 Cb 0.45 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1r2u h PHE 20 CO 0.04 0.66 0.07 -0.22 -1.61 0.00 0.00 178.31 177.26 1r2u h LYS 21 N 0.76 0.84 -0.41 1.51 1.63 -0.29 -0.09 116.57 120.51 1r2u h LYS 21 Ca 0.19 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 1r2u h LYS 21 Cb 0.17 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1r2u h LYS 21 CO -0.02 0.83 0.06 0.00 -3.45 0.00 0.00 179.45 176.87 1r2u h ALA 22 N 0.97 0.55 0.00 5.00 0.00 -0.82 0.27 119.26 125.22 1r2u h ALA 22 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1r2u h ALA 22 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r2u h ALA 22 CO 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 179.25 179.45 1r2u h ALA 23 N 0.92 1.09 0.00 0.00 0.00 -0.81 -2.15 119.26 118.32 1r2u h ALA 23 Ca 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1r2u h ALA 23 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r2u h ALA 23 CO 0.01 0.10 -0.36 0.35 0.00 0.00 0.00 179.25 179.35 1r2u h PHE 24 N 0.00 0.00 -0.90 0.00 3.57 -0.37 -3.37 116.94 115.87 1r2u h PHE 24 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1r2u h PHE 24 Cb 0.42 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1r2u h PHE 24 CO 0.00 0.69 0.58 -0.44 -2.23 0.00 0.00 178.31 176.91 1r2u h ASP 25 N -1.00 0.85 -0.75 0.41 3.32 -0.45 0.07 116.42 118.87 1r2u h ASP 25 Ca -0.08 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.12 1r2u h ASP 25 Cb 0.73 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1r2u h ASP 25 CO -0.05 0.52 0.50 0.16 -1.72 0.00 0.00 179.24 178.65 1r2u h ILE 26 N 0.96 0.84 0.04 0.35 3.07 -1.56 -0.63 117.51 120.57 1r2u h ILE 26 Ca 0.40 -0.17 -0.28 0.00 1.55 0.00 0.00 64.86 66.36 1r2u h ILE 26 Cb 0.31 0.30 -0.03 0.00 -0.27 0.00 0.00 36.82 37.13 1r2u h ILE 26 CO -0.16 0.09 -1.53 -0.26 -1.05 0.00 0.00 178.15 175.23 1r2u h PHE 27 N 0.49 0.14 -0.71 0.16 -1.00 -1.40 -3.34 116.94 111.28 1r2u h PHE 27 Ca 0.36 -0.10 -0.47 0.00 2.81 0.00 0.00 57.97 60.57 1r2u h PHE 27 Cb 0.73 -0.01 -0.21 0.00 3.61 0.00 0.00 35.95 40.07 1r2u h PHE 27 CO -0.00 1.15 0.61 -0.89 -1.61 0.00 0.00 178.31 177.56 1r2u n ILE 28 N -3.24 3.09 -0.05 -0.55 2.08 -0.11 -4.46 119.36 116.13 1r2u n ILE 28 Ca -0.14 -2.12 -0.10 0.00 0.56 0.00 0.00 62.75 60.96 1r2u n ILE 28 Cb 1.02 -1.17 0.05 0.00 -0.75 0.00 0.00 39.64 38.79 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 1.58 0.70 -0.23 0.38 3.07 -1.40 -3.37 115.11 115.84 1r2u h GLN 29 Ca 0.44 -0.37 -0.21 0.00 0.09 0.00 0.00 58.65 58.60 1r2u h GLN 29 Cb 1.06 0.01 -0.26 0.00 0.08 0.00 0.00 27.48 28.37 1r2u h GLN 29 CO 1.09 0.98 -0.66 -0.25 0.09 0.00 0.00 178.83 180.08 1r2u n ASP 30 N -4.03 -0.14 -4.76 0.06 8.00 -1.26 -5.13 116.55 109.29 1r2u n ASP 30 Ca -0.02 -2.19 -0.35 0.00 0.71 0.00 0.00 54.79 52.94 1r2u n ASP 30 Cb 0.54 0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.85 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 -1.60 2.56 0.18 2.24 0.00 -1.26 -4.95 121.76 118.93 1r2u s ALA 31 Ca 0.18 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1r2u s ALA 31 Cb 0.40 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 20.19 1r2u s ALA 31 CO -0.08 -1.08 1.50 1.05 0.00 0.00 0.00 175.76 177.15 1r2u h GLU 32 N 0.83 0.68 0.00 0.00 4.11 -1.97 -3.36 114.58 114.87 1r2u h GLU 32 Ca -0.50 -0.40 -0.24 0.00 0.07 0.00 0.00 59.36 58.30 1r2u h GLU 32 Cb 1.28 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 1r2u h GLU 32 CO 0.55 1.01 -1.91 -3.47 0.07 0.00 0.00 179.01 175.26 1r2u n ASP 33 N -4.00 2.65 0.00 3.06 -0.08 -1.26 -5.04 116.55 111.87 1r2u n ASP 33 Ca -0.03 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1r2u n ASP 33 Cb 0.58 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r2u n GLY 34 N 2.67 1.04 3.73 0.27 0.00 -1.26 -5.15 105.19 106.50 1r2u n GLY 34 Ca -0.28 0.00 -0.09 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 -3.49 2.24 0.07 0.00 -5.25 -0.88 -4.85 121.20 109.02 1r2u s ILE 36 Ca 0.18 -1.11 -0.11 0.00 -0.99 0.00 0.00 60.65 58.62 1r2u s ILE 36 Cb -0.04 -2.34 -0.06 0.00 2.95 0.00 0.00 42.46 42.97 1r2u s ILE 36 CO 0.10 0.00 0.40 -0.55 -1.79 0.00 0.00 174.94 173.10 1r2u s SER 37 N -4.51 6.66 0.38 4.36 0.15 -1.26 0.15 113.70 119.63 1r2u s SER 37 Ca 0.55 0.81 0.06 0.00 0.70 0.00 0.00 55.95 58.07 1r2u s SER 37 Cb -0.06 -2.19 0.76 0.00 -1.71 0.00 0.00 66.02 62.83 1r2u s SER 37 CO 0.34 0.20 2.00 0.71 1.20 0.00 0.00 173.24 177.69 1r2u h THR 38 N 2.99 1.08 0.00 6.45 1.35 -1.81 -0.33 112.91 122.64 1r2u h THR 38 Ca -0.49 -0.24 -0.09 0.00 -0.55 0.00 0.00 66.41 65.03 1r2u h THR 38 Cb 1.20 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1r2u h THR 38 CO 0.66 0.13 -0.43 0.11 -0.25 0.00 0.00 175.52 175.73 1r2u h LYS 39 N 0.71 0.00 -0.18 4.72 1.79 -1.94 -3.04 116.57 118.63 1r2u h LYS 39 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1r2u h LYS 39 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1r2u h LYS 39 CO -0.07 0.43 0.00 0.39 -1.08 0.00 0.00 179.45 179.13 1r2u n GLU 40 N -3.34 1.47 -0.30 3.15 4.71 -0.17 -4.14 120.64 122.03 1r2u n GLU 40 Ca 0.01 -0.73 0.02 0.00 -0.01 0.00 0.00 57.16 56.44 1r2u n GLU 40 Cb 0.63 -1.23 0.15 0.00 -1.01 0.00 0.00 31.44 29.99 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1r2u h LEU 41 N 1.27 0.78 -2.69 -4.62 7.12 -1.35 -0.22 115.31 115.60 1r2u h LEU 41 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1r2u h LEU 41 Cb 0.29 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1r2u h LEU 41 CO 0.00 0.48 0.00 1.23 -0.13 0.00 0.00 178.44 180.02 1r2u h GLY 42 N 0.90 0.00 1.15 3.75 0.00 -1.85 -1.34 103.07 105.68 1r2u h GLY 42 Ca 0.38 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.38 1r2u h GLY 42 CO -0.20 0.00 -1.58 0.50 0.00 0.00 0.00 176.54 175.26 1r2u h LYS 43 N 0.00 0.44 0.02 4.80 1.79 -1.34 -2.77 116.57 119.51 1r2u h LYS 43 Ca 0.00 -0.75 -0.24 0.00 -2.18 0.00 0.00 60.65 57.48 1r2u h LYS 43 Cb 0.01 0.28 0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1r2u h LYS 43 CO 0.00 1.35 -1.00 -0.39 -1.08 0.00 0.00 179.45 178.33 1r2u h VAL 44 N 0.12 1.37 -0.12 0.50 -1.51 -1.28 -3.07 116.25 112.26 1r2u h VAL 44 Ca -0.28 -2.44 -0.20 0.00 -1.23 0.00 0.00 66.70 62.55 1r2u h VAL 44 Cb 2.12 2.46 0.01 0.00 -2.13 0.00 0.00 31.29 33.75 1r2u h VAL 44 CO 0.22 0.73 -0.69 0.00 -1.23 0.00 0.00 177.57 176.61 1r2u h MET 45 N 0.26 0.68 -0.98 5.19 -0.00 -1.42 -1.48 114.93 117.18 1r2u h MET 45 Ca -0.10 -0.57 0.05 0.00 -0.00 0.00 0.00 59.70 59.08 1r2u h MET 45 Cb 1.65 0.12 -0.06 0.00 -0.00 0.00 0.00 31.60 33.31 1r2u h MET 45 CO 0.18 1.18 0.64 0.00 -0.00 0.00 0.00 176.91 178.91 1r2u h ARG 46 N 0.35 1.17 0.00 -0.10 3.08 -1.37 -1.39 114.38 116.12 1r2u h ARG 46 Ca -0.05 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 1r2u h ARG 46 Cb 1.33 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 1r2u h ARG 46 CO 0.14 0.77 -0.88 0.52 -1.07 0.00 0.00 179.97 179.46 1r2u h MET 47 N 1.21 0.00 -0.34 0.04 2.86 -1.54 -3.29 114.93 113.86 1r2u h MET 47 Ca 0.40 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 1r2u h MET 47 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1r2u h MET 47 CO -0.14 0.88 0.15 1.25 1.06 0.00 0.00 176.91 180.11 1r2u h LEU 48 N 0.00 0.46 0.00 1.22 5.85 -0.25 -3.47 115.31 119.12 1r2u h LEU 48 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1r2u h LEU 48 Cb 1.56 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1r2u h LEU 48 CO 0.11 0.48 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 1r2u n GLY 49 N -0.79 1.14 3.85 3.75 0.00 -0.64 -5.09 105.19 107.40 1r2u n GLY 49 Ca -0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1r2u n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r2u s GLN 50 N 0.00 3.99 -0.41 1.61 0.74 -1.04 -4.97 119.66 119.58 1r2u s GLN 50 Ca 0.00 0.79 0.05 0.00 0.05 0.00 0.00 55.36 56.24 1r2u s GLN 50 Cb 0.00 -2.30 0.18 0.00 1.10 0.00 0.00 33.01 32.00 1r2u s GLN 50 CO 0.00 -0.03 0.37 -1.71 -0.55 0.00 0.00 175.29 173.37 1r2u n ASN 51 N -0.93 -0.41 -2.12 6.67 2.85 -1.26 -2.94 115.26 117.11 1r2u n ASN 51 Ca 0.05 -2.42 0.00 0.00 -0.11 0.00 0.00 54.58 52.09 1r2u n ASN 51 Cb 0.54 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 2.62 0.61 -3.29 1.20 -0.04 -1.26 -5.11 135.00 129.73 1r2u n PRO 52 Ca 0.29 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.54 1r2u n PRO 52 Cb 0.49 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.25 2.45 0.18 0.52 -4.23 -1.26 -4.94 115.64 108.12 1r2u s THR 53 Ca 0.00 -1.16 0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1r2u s THR 53 Cb 0.00 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1r2u s THR 53 CO 0.00 0.00 1.62 1.55 -0.54 0.00 0.00 174.62 177.25 1r2u h PRO 54 N 0.62 0.00 0.08 3.99 0.13 -1.99 -1.17 132.00 133.66 1r2u h PRO 54 Ca -0.37 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1r2u h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1r2u h PRO 54 CO 0.49 0.54 -1.41 1.05 -0.23 0.00 0.00 178.00 178.44 1r2u h GLU 55 N 0.00 0.18 0.06 0.86 4.11 -1.99 -2.95 114.58 114.84 1r2u h GLU 55 Ca -0.01 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 1r2u h GLU 55 Cb 1.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r2u h GLU 55 CO 0.07 1.04 -0.03 1.49 0.07 0.00 0.00 179.01 181.65 1r2u h GLU 56 N 0.05 -0.07 0.00 1.06 4.57 -1.95 -3.23 114.58 115.00 1r2u h GLU 56 Ca -0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1r2u h GLU 56 Cb 1.96 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1r2u h GLU 56 CO 0.15 0.52 -0.05 1.37 -1.18 0.00 0.00 179.01 179.82 1r2u h LEU 57 N -0.76 0.00 -0.14 1.64 -0.00 -1.37 -2.87 115.31 111.80 1r2u h LEU 57 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 1r2u h LEU 57 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.22 1r2u h LEU 57 CO 0.01 0.05 -0.26 -0.61 -0.00 0.00 0.00 178.44 177.63 1r2u h GLN 58 N 0.00 -0.30 -0.94 0.17 -0.00 -1.53 -0.44 115.11 112.06 1r2u h GLN 58 Ca -0.00 0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.71 1r2u h GLN 58 Cb 0.08 0.07 -0.06 0.00 0.00 0.00 0.00 27.48 27.58 1r2u h GLN 58 CO 0.01 -0.20 0.62 0.93 0.00 0.00 0.00 178.83 180.18 1r2u h GLU 59 N -0.32 1.13 -0.82 1.69 4.39 -1.59 -2.18 114.58 116.89 1r2u h GLU 59 Ca 0.10 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1r2u h GLU 59 Cb 0.47 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1r2u h GLU 59 CO -0.33 0.75 0.41 0.52 -1.16 0.00 0.00 179.01 179.20 1r2u h MET 60 N 1.17 1.17 0.00 2.33 2.86 -1.29 -1.58 114.93 119.58 1r2u h MET 60 Ca 0.38 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1r2u h MET 60 Cb 0.04 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1r2u h MET 60 CO -0.12 0.89 0.00 -0.89 1.06 0.00 0.00 176.91 177.85 1r2u n ILE 61 N -4.35 0.00 -0.21 -1.22 5.41 -0.27 -0.35 119.36 118.36 1r2u n ILE 61 Ca 0.08 1.48 0.20 0.00 1.00 0.00 0.00 62.75 65.51 1r2u n ILE 61 Cb 0.13 -2.41 0.55 0.00 -0.71 0.00 0.00 39.64 37.19 1r2u n ILE 61 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1r2u h ASP 62 N 0.00 0.33 0.43 4.38 3.04 -1.59 0.12 116.42 123.13 1r2u h ASP 62 Ca 0.00 0.03 -0.02 0.00 -3.24 0.00 0.00 57.03 53.80 1r2u h ASP 62 Cb 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 1r2u h ASP 62 CO 0.00 0.14 -0.20 -0.33 -2.04 0.00 0.00 179.24 176.80 1r2u h GLU 63 N 0.33 -0.55 0.00 4.15 5.08 -1.09 -3.12 114.58 119.38 1r2u h GLU 63 Ca 0.44 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.80 1r2u h GLU 63 Cb 1.18 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1r2u h GLU 63 CO -0.14 -0.25 -0.19 -0.39 -1.00 0.00 0.00 179.01 177.05 1r2u h VAL 64 N -0.86 0.99 -1.27 3.13 -1.51 -0.06 -3.41 116.25 113.26 1r2u h VAL 64 Ca -0.06 -0.67 -0.35 0.00 -1.23 0.00 0.00 66.70 64.39 1r2u h VAL 64 Cb 0.56 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1r2u h VAL 64 CO 0.10 0.18 1.26 -0.67 -1.23 0.00 0.00 177.57 177.21 1r2u n ASP 65 N -4.11 2.14 0.07 4.19 -0.08 -0.03 -4.59 116.55 114.14 1r2u n ASP 65 Ca -0.02 -0.74 -0.16 0.00 -1.51 0.00 0.00 54.79 52.36 1r2u n ASP 65 Cb 0.26 -1.59 -0.08 0.00 2.34 0.00 0.00 41.12 42.05 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 17.86 0.48 0.06 -0.67 5.08 -1.86 -3.35 114.58 132.18 1r2u h GLU 66 Ca -0.18 -0.56 -0.12 0.00 -1.00 0.00 0.00 59.36 57.50 1r2u h GLU 66 Cb 1.21 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1r2u h GLU 66 CO 1.13 1.20 -0.59 -0.44 -1.00 0.00 0.00 179.01 179.31 1r2u h ASP 67 N 0.25 0.18 -0.86 1.42 3.32 -1.94 -3.49 116.42 115.31 1r2u h ASP 67 Ca -0.11 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.04 1r2u h ASP 67 Cb 1.68 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1r2u h ASP 67 CO 0.18 1.26 -0.00 0.61 -1.72 0.00 0.00 179.24 179.57 1r2u n GLY 68 N 1.62 0.85 0.10 2.75 0.00 -1.26 -5.00 105.19 104.25 1r2u n GLY 68 Ca -0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 1.55 1.87 0.00 1.61 3.41 -1.26 -5.04 113.62 115.77 1r2u n SER 69 Ca -0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1r2u n SER 69 Cb 0.50 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.46 0.92 3.76 5.00 0.00 -1.26 -5.14 105.19 109.92 1r2u n GLY 70 Ca -0.26 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 4.31 -0.31 2.61 -4.23 -1.26 -2.40 115.64 114.36 1r2u s THR 71 Ca 0.00 -1.09 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 1r2u s THR 71 Cb 0.00 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.67 1r2u s THR 71 CO 0.00 -0.06 0.13 -0.69 -0.54 0.00 0.00 174.62 173.47 1r2u s VAL 72 N -1.66 4.40 0.86 2.29 1.01 0.12 -4.87 120.40 122.57 1r2u s VAL 72 Ca 0.30 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1r2u s VAL 72 Cb -0.10 -3.27 0.18 0.00 0.00 0.00 0.00 36.38 33.19 1r2u s VAL 72 CO 0.22 0.05 1.19 -1.81 0.00 0.00 0.00 175.10 174.75 1r2u s ASP 73 N 1.57 3.58 0.49 3.32 1.01 -1.26 -2.08 116.67 123.31 1r2u s ASP 73 Ca 0.04 -0.08 0.23 0.00 0.71 0.00 0.00 52.55 53.45 1r2u s ASP 73 Cb -0.17 -0.08 1.27 0.00 1.01 0.00 0.00 42.92 44.95 1r2u s ASP 73 CO 0.05 -2.40 2.03 0.15 0.21 0.00 0.00 175.17 175.21 1r2u h PHE 74 N -1.17 0.00 0.69 4.23 3.57 -1.98 -1.15 116.94 121.13 1r2u h PHE 74 Ca -0.40 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 1r2u h PHE 74 Cb 1.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1r2u h PHE 74 CO -0.80 0.16 -0.33 -0.44 -2.23 0.00 0.00 178.31 174.66 1r2u h ASP 75 N 0.00 -0.78 0.71 0.41 5.19 -2.00 -1.60 116.42 118.35 1r2u h ASP 75 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1r2u h ASP 75 Cb 0.35 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1r2u h ASP 75 CO 0.02 -0.43 0.00 -1.84 -3.12 0.00 0.00 179.24 173.87 1r2u n GLU 76 N -5.41 0.06 0.09 3.56 0.28 -1.19 -2.49 120.64 115.54 1r2u n GLU 76 Ca -0.13 0.24 -0.15 0.00 -0.16 0.00 0.00 57.16 56.97 1r2u n GLU 76 Cb 0.38 -1.60 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 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 0.56 0.05 -1.84 3.57 -0.97 -3.32 116.94 114.99 1r2u h PHE 77 Ca 0.00 -0.35 -0.24 0.00 3.53 0.00 0.00 57.97 60.91 1r2u h PHE 77 Cb 0.35 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1r2u h PHE 77 CO 0.00 1.22 -1.04 -0.07 -2.23 0.00 0.00 178.31 176.18 1r2u h LEU 78 N 0.15 0.45 -2.06 0.59 3.38 -0.98 -3.25 115.31 113.59 1r2u h LEU 78 Ca -0.11 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.53 1r2u h LEU 78 Cb 1.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1r2u h LEU 78 CO 0.19 1.24 0.19 -0.37 0.09 0.00 0.00 178.44 179.77 1r2u h VAL 79 N 0.15 0.77 -1.21 1.22 -1.51 -1.63 -2.38 116.25 111.67 1r2u h VAL 79 Ca -0.09 0.00 0.41 0.00 -1.23 0.00 0.00 66.70 65.79 1r2u h VAL 79 Cb 1.71 0.87 -0.14 0.00 -2.13 0.00 0.00 31.29 31.60 1r2u h VAL 79 CO 0.17 0.00 0.75 0.24 -1.23 0.00 0.00 177.57 177.50 1r2u h MET 80 N 0.00 0.11 0.12 5.19 2.86 -1.66 0.22 114.93 121.78 1r2u h MET 80 Ca 0.11 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1r2u h MET 80 Cb 0.48 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1r2u h MET 80 CO -0.00 0.08 -0.47 0.52 1.06 0.00 0.00 176.91 178.09 1r2u h MET 81 N 0.12 -0.66 0.00 1.72 2.07 -1.68 -2.04 114.93 114.46 1r2u h MET 81 Ca 0.81 0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 58.38 1r2u h MET 81 Cb 2.35 0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 32.21 1r2u h MET 81 CO -0.51 -0.44 -0.50 -0.39 1.07 0.00 0.00 176.91 176.15 1r2u h VAL 82 N -0.68 0.92 0.00 -2.22 -1.51 -1.38 -3.15 116.25 108.23 1r2u h VAL 82 Ca -0.01 -2.09 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 1r2u h VAL 82 Cb 0.68 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1r2u h VAL 82 CO -0.25 0.49 0.00 0.03 -1.23 0.00 0.00 177.57 176.61 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 2.47 -0.29 -0.28 114.38 121.46 1r2u h ARG 83 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r2u h ARG 83 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1r2u h ARG 83 CO 0.06 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.59 1r2u h MET 85 N 0.00 0.12 -4.92 0.00 -0.00 -1.25 -3.27 114.93 105.62 1r2u h MET 85 Ca 0.00 -0.01 -0.68 0.00 -0.00 0.00 0.00 59.70 59.01 1r2u h MET 85 Cb 0.48 -0.03 -0.18 0.00 -0.00 0.00 0.00 31.60 31.87 1r2u h MET 85 CO 0.00 0.08 0.20 0.15 -0.00 0.00 0.00 176.91 177.34 1r2u s LYS 86 N -5.47 3.08 -0.30 -0.10 -0.14 -1.25 -4.87 119.74 110.70 1r2u s LYS 86 Ca -0.09 -1.12 0.08 0.00 -1.36 0.00 0.00 55.97 53.48 1r2u s LYS 86 Cb 0.31 -4.22 0.46 0.00 -1.68 0.00 0.00 37.83 32.69 1r2u s LYS 86 CO 0.80 -1.54 1.30 -0.25 -0.76 0.00 0.00 175.35 174.90 1r2u n ASP 87 N 6.60 3.92 -3.76 2.83 8.00 -1.24 -4.94 116.55 127.96 1r2u n ASP 87 Ca -0.08 -3.80 -0.26 0.00 0.71 0.00 0.00 54.79 51.36 1r2u n ASP 87 Cb 0.44 -0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1r2u n ASP 88 N -0.90 -3.95 -0.49 -2.24 2.03 -1.26 -5.26 116.55 104.49 1r2u n ASP 88 Ca 0.37 -0.73 0.06 0.00 0.52 0.00 0.00 54.79 55.01 1r2u n ASP 88 Cb 0.88 -4.25 0.05 0.00 -0.72 0.00 0.00 41.12 37.08 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74