#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 6.72 -0.06 7.83 -0.87 -1.26 -4.89 114.94 122.41 1r2u s ASN 2 Ca 0.00 2.25 0.15 0.00 -1.57 0.00 0.00 52.86 53.69 1r2u s ASN 2 Cb 0.00 -2.55 0.47 0.00 -0.02 0.00 0.00 41.25 39.15 1r2u s ASN 2 CO 0.00 -0.84 1.39 -0.67 -2.57 0.00 0.00 177.10 174.41 1r2u n ASP 3 N 6.11 3.58 0.15 -1.22 2.03 -1.26 -4.47 116.55 121.47 1r2u n ASP 3 Ca 0.15 -2.28 0.02 0.00 0.52 0.00 0.00 54.79 53.20 1r2u n ASP 3 Cb 0.42 -0.39 0.21 0.00 -0.72 0.00 0.00 41.12 40.65 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r2u h ILE 4 N 2.63 1.16 -0.14 5.18 -0.00 -1.92 -2.30 117.51 122.12 1r2u h ILE 4 Ca 0.00 -1.95 -0.14 0.00 -0.00 0.00 0.00 64.86 62.78 1r2u h ILE 4 Cb 1.03 2.12 -0.01 0.00 -0.00 0.00 0.00 36.82 39.96 1r2u h ILE 4 CO 0.09 0.52 -0.50 1.88 -0.00 0.00 0.00 178.15 180.13 1r2u h TYR 5 N 0.00 0.47 -0.19 0.16 0.05 -1.89 0.01 116.97 115.58 1r2u h TYR 5 Ca -0.01 -0.15 -0.18 0.00 0.05 0.00 0.00 58.73 58.45 1r2u h TYR 5 Cb 1.07 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1r2u h TYR 5 CO 0.00 0.81 -0.57 0.87 -1.05 0.00 0.00 178.16 178.22 1r2u h LYS 6 N 0.30 0.72 -0.34 4.88 1.79 -1.82 -2.28 116.57 119.82 1r2u h LYS 6 Ca 0.01 -0.52 -0.07 0.00 -2.18 0.00 0.00 60.65 57.90 1r2u h LYS 6 Cb 0.99 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 1r2u h LYS 6 CO 0.09 1.14 -0.06 0.00 -1.08 0.00 0.00 179.45 179.53 1r2u h ALA 7 N 0.58 1.25 -0.40 3.86 0.00 -1.30 -2.51 119.26 120.73 1r2u h ALA 7 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1r2u h ALA 7 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1r2u h ALA 7 CO 0.12 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1r2u h ALA 8 N 1.41 1.11 -0.55 0.00 0.00 -0.86 -3.05 119.26 117.31 1r2u h ALA 8 Ca 0.10 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1r2u h ALA 8 Cb 0.44 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1r2u h ALA 8 CO 0.02 0.56 0.02 0.28 0.00 0.00 0.00 179.25 180.13 1r2u h VAL 9 N 0.64 0.57 0.00 0.00 2.07 -0.94 0.28 116.25 118.87 1r2u h VAL 9 Ca 0.12 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1r2u h VAL 9 Cb 0.52 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1r2u h VAL 9 CO 0.03 0.02 0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1r2u h GLU 10 N 0.14 0.00 0.00 1.57 4.39 -1.59 -2.80 114.58 116.29 1r2u h GLU 10 Ca 0.28 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.77 1r2u h GLU 10 Cb 0.44 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1r2u h GLU 10 CO -0.45 0.00 -1.43 1.96 -1.16 0.00 0.00 179.01 177.93 1r2u h GLN 11 N 0.00 0.00 -5.67 2.33 4.20 -0.58 -3.45 115.11 111.93 1r2u h GLN 11 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1r2u h GLN 11 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1r2u h GLN 11 CO 0.00 0.43 1.57 1.28 -0.67 0.00 0.00 178.83 181.44 1r2u n LEU 12 N -3.01 2.00 -5.00 1.46 4.77 0.63 -4.93 117.00 112.93 1r2u n LEU 12 Ca -0.11 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 1r2u n LEU 12 Cb 0.92 -1.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1r2u n LEU 12 CO 0.44 -1.04 0.23 0.42 -1.33 0.00 0.00 177.39 176.11 1r2u s THR 13 N 9.55 2.84 0.41 -5.08 -4.23 -1.26 -4.94 115.64 112.92 1r2u s THR 13 Ca 1.09 -0.90 0.10 0.00 -1.18 0.00 0.00 61.69 60.80 1r2u s THR 13 Cb -0.62 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 70.49 1r2u s THR 13 CO 0.39 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.90 1r2u h ASP 14 N 0.44 0.25 -0.34 3.99 3.32 -1.99 -1.18 116.42 120.90 1r2u h ASP 14 Ca -0.40 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 1r2u h ASP 14 Cb 1.28 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1r2u h ASP 14 CO 0.46 0.32 -0.36 1.05 -1.72 0.00 0.00 179.24 178.99 1r2u h GLU 15 N 0.27 0.85 0.13 3.56 4.11 -1.98 -1.40 114.58 120.13 1r2u h GLU 15 Ca 0.06 -0.46 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 1r2u h GLU 15 Cb 0.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1r2u h GLU 15 CO 0.01 1.10 -0.06 1.96 0.07 0.00 0.00 179.01 182.09 1r2u h GLN 16 N 0.65 -0.16 -0.68 1.06 1.08 -1.77 -0.67 115.11 114.61 1r2u h GLN 16 Ca 0.05 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1r2u h GLN 16 Cb 0.95 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.38 1r2u h GLN 16 CO 0.09 0.06 0.45 0.87 -0.95 0.00 0.00 178.83 179.35 1r2u h LYS 17 N -0.36 0.79 -0.48 1.46 1.57 -1.27 -0.78 116.57 117.49 1r2u h LYS 17 Ca -0.02 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1r2u h LYS 17 Cb 0.29 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1r2u h LYS 17 CO 0.03 0.52 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.52 1r2u h ASN 18 N 0.81 0.77 0.37 0.86 2.35 -0.94 0.37 115.58 120.17 1r2u h ASN 18 Ca 0.27 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1r2u h ASN 18 Cb 0.08 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1r2u h ASN 18 CO -0.08 0.84 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.04 1r2u h GLU 19 N 0.75 -0.47 -0.50 0.81 4.39 0.27 -0.57 114.58 119.25 1r2u h GLU 19 Ca 0.15 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 1r2u h GLU 19 Cb 0.46 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1r2u h GLU 19 CO 0.02 -0.19 0.07 0.74 -1.16 0.00 0.00 179.01 178.49 1r2u h PHE 20 N -0.74 0.90 -0.22 4.33 0.04 -1.26 0.09 116.94 120.09 1r2u h PHE 20 Ca -0.05 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1r2u h PHE 20 Cb 0.51 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1r2u h PHE 20 CO 0.00 0.82 0.15 -0.22 -0.60 0.00 0.00 178.31 178.46 1r2u h LYS 21 N 0.72 0.29 -0.36 1.51 1.63 -0.27 0.23 116.57 120.31 1r2u h LYS 21 Ca 0.15 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1r2u h LYS 21 Cb 0.42 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1r2u h LYS 21 CO 0.01 0.19 0.04 0.00 -3.45 0.00 0.00 179.45 176.24 1r2u h ALA 22 N 1.08 0.48 0.00 5.00 0.00 -1.03 0.28 119.26 125.07 1r2u h ALA 22 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1r2u h ALA 22 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r2u h ALA 22 CO -0.02 0.21 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 1r2u h ALA 23 N 0.89 1.33 0.00 0.00 0.00 -0.70 -1.43 119.26 119.36 1r2u h ALA 23 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1r2u h ALA 23 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r2u h ALA 23 CO 0.01 0.06 -0.48 0.35 0.00 0.00 0.00 179.25 179.19 1r2u h PHE 24 N 0.00 0.00 -0.94 0.00 3.57 0.02 -3.38 116.94 116.21 1r2u h PHE 24 Ca -0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1r2u h PHE 24 Cb 0.16 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 1r2u h PHE 24 CO 0.00 0.49 0.60 -0.44 -2.23 0.00 0.00 178.31 176.73 1r2u h ASP 25 N -1.00 0.80 -0.81 0.41 3.32 -0.38 0.41 116.42 119.17 1r2u h ASP 25 Ca -0.08 0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.14 1r2u h ASP 25 Cb 0.64 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1r2u h ASP 25 CO -0.05 0.43 0.53 0.16 -1.72 0.00 0.00 179.24 178.59 1r2u h ILE 26 N 0.86 0.86 0.01 0.35 3.07 -1.45 -0.97 117.51 120.25 1r2u h ILE 26 Ca 0.46 -0.21 -0.28 0.00 1.55 0.00 0.00 64.86 66.39 1r2u h ILE 26 Cb 0.56 0.19 -0.04 0.00 -0.27 0.00 0.00 36.82 37.26 1r2u h ILE 26 CO -0.23 0.11 -1.55 -0.26 -1.05 0.00 0.00 178.15 175.17 1r2u h PHE 27 N 0.61 0.06 -0.67 0.16 -1.00 -1.35 -3.34 116.94 111.40 1r2u h PHE 27 Ca 0.39 -0.04 -0.41 0.00 2.81 0.00 0.00 57.97 60.72 1r2u h PHE 27 Cb 0.67 -0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.03 1r2u h PHE 27 CO -0.00 1.07 0.53 -0.89 -1.61 0.00 0.00 178.31 177.41 1r2u n ILE 28 N -3.16 2.85 0.10 -0.55 2.08 -0.00 -4.41 119.36 116.26 1r2u n ILE 28 Ca -0.14 -1.78 -0.01 0.00 0.56 0.00 0.00 62.75 61.38 1r2u n ILE 28 Cb 1.03 -1.01 0.24 0.00 -0.75 0.00 0.00 39.64 39.15 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 1.25 0.21 -0.18 0.38 3.07 -1.40 -3.36 115.11 115.08 1r2u h GLN 29 Ca 0.42 -0.10 -0.21 0.00 0.09 0.00 0.00 58.65 58.85 1r2u h GLN 29 Cb 1.46 -0.00 -0.22 0.00 0.08 0.00 0.00 27.48 28.79 1r2u h GLN 29 CO 0.94 0.59 -0.55 -3.47 0.09 0.00 0.00 178.83 176.43 1r2u n ASP 30 N -4.04 -0.69 -4.78 0.06 2.03 -1.26 -5.14 116.55 102.74 1r2u n ASP 30 Ca -0.01 -2.29 -0.32 0.00 0.52 0.00 0.00 54.79 52.69 1r2u n ASP 30 Cb 0.47 0.42 0.06 0.00 -0.72 0.00 0.00 41.12 41.35 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 -0.95 2.43 -0.07 -1.67 0.00 -1.26 -4.99 121.76 115.26 1r2u s ALA 31 Ca 0.17 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1r2u s ALA 31 Cb 0.41 -3.27 -0.26 0.00 0.00 0.00 0.00 23.12 20.00 1r2u s ALA 31 CO -0.09 -1.44 0.94 0.93 0.00 0.00 0.00 175.76 176.11 1r2u h GLU 32 N -0.53 0.19 0.02 0.00 5.08 -1.97 -3.39 114.58 113.97 1r2u h GLU 32 Ca -0.45 -0.25 -0.38 0.00 -1.00 0.00 0.00 59.36 57.28 1r2u h GLU 32 Cb 1.23 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 1r2u h GLU 32 CO 0.54 1.04 -2.38 -3.47 -1.00 0.00 0.00 179.01 173.73 1r2u n ASP 33 N -4.41 1.80 0.00 1.42 2.03 -1.26 -5.03 116.55 111.10 1r2u n ASP 33 Ca -0.11 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1r2u n ASP 33 Cb 0.59 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 2.16 0.99 3.73 0.27 0.00 -1.26 -5.15 105.19 105.92 1r2u n GLY 34 Ca -0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.57 2.65 0.00 0.00 -5.25 -0.99 -4.84 121.20 109.21 1r2u s ILE 36 Ca 0.17 -1.06 -0.13 0.00 -0.99 0.00 0.00 60.65 58.64 1r2u s ILE 36 Cb -0.04 -2.72 -0.06 0.00 2.95 0.00 0.00 42.46 42.60 1r2u s ILE 36 CO 0.10 0.00 0.38 -0.55 -1.79 0.00 0.00 174.94 173.08 1r2u s SER 37 N -4.41 6.75 0.33 4.36 0.15 -1.26 0.15 113.70 119.77 1r2u s SER 37 Ca 0.55 0.89 0.07 0.00 0.70 0.00 0.00 55.95 58.17 1r2u s SER 37 Cb -0.08 -2.22 0.76 0.00 -1.71 0.00 0.00 66.02 62.77 1r2u s SER 37 CO 0.34 0.31 1.85 0.00 1.20 0.00 0.00 173.24 176.94 1r2u h THR 38 N 3.61 0.84 -0.32 6.45 1.03 -0.96 0.13 112.91 123.68 1r2u h THR 38 Ca -0.52 -0.26 -0.08 0.00 -0.01 0.00 0.00 66.41 65.54 1r2u h THR 38 Cb 1.22 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 68.29 1r2u h THR 38 CO 0.62 0.14 -0.13 0.11 -0.01 0.00 0.00 175.52 176.24 1r2u h LYS 39 N 0.76 0.55 -0.17 0.00 1.79 -1.94 -2.43 116.57 115.14 1r2u h LYS 39 Ca 0.47 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1r2u h LYS 39 Cb 0.70 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1r2u h LYS 39 CO -0.24 0.68 0.00 0.39 -1.08 0.00 0.00 179.45 179.20 1r2u n GLU 40 N -4.18 1.40 -0.32 3.15 1.02 0.41 -4.10 120.64 118.02 1r2u n GLU 40 Ca 0.01 -0.63 -0.04 0.00 -0.02 0.00 0.00 57.16 56.48 1r2u n GLU 40 Cb 0.34 -1.16 0.08 0.00 -0.02 0.00 0.00 31.44 30.69 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r2u h LEU 41 N 1.04 1.02 -2.37 -4.62 7.12 -0.91 -0.86 115.31 115.74 1r2u h LEU 41 Ca 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1r2u h LEU 41 Cb 0.24 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1r2u h LEU 41 CO 0.00 0.77 0.00 1.23 -0.13 0.00 0.00 178.44 180.31 1r2u h GLY 42 N 1.19 0.00 0.82 3.75 0.00 -1.81 -2.21 103.07 104.80 1r2u h GLY 42 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 1r2u h GLY 42 CO -0.06 0.00 -1.36 1.70 0.00 0.00 0.00 176.54 176.82 1r2u h LYS 43 N 0.00 0.36 -0.26 4.80 1.63 -1.45 -3.23 116.57 118.42 1r2u h LYS 43 Ca 0.00 -0.61 -0.09 0.00 -0.85 0.00 0.00 60.65 59.10 1r2u h LYS 43 Cb 0.08 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1r2u h LYS 43 CO 0.00 1.29 -0.22 -0.39 -3.45 0.00 0.00 179.45 176.68 1r2u h VAL 44 N -0.13 1.26 -0.33 2.00 -1.51 -1.15 -2.62 116.25 113.76 1r2u h VAL 44 Ca -0.26 -1.20 -0.05 0.00 -1.23 0.00 0.00 66.70 63.95 1r2u h VAL 44 Cb 1.90 1.31 -0.02 0.00 -2.13 0.00 0.00 31.29 32.34 1r2u h VAL 44 CO 0.15 0.38 -0.02 0.24 -1.23 0.00 0.00 177.57 177.09 1r2u h MET 45 N 0.42 0.51 -0.93 5.19 2.86 -1.54 -1.35 114.93 120.09 1r2u h MET 45 Ca 0.07 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 45 Cb 0.62 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 1r2u h MET 45 CO 0.04 0.56 0.58 0.00 1.06 0.00 0.00 176.91 179.16 1r2u h ARG 46 N 0.49 1.25 -0.08 1.72 2.47 -1.30 0.18 114.38 119.10 1r2u h ARG 46 Ca 0.10 -0.10 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1r2u h ARG 46 Cb 0.36 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1r2u h ARG 46 CO 0.01 0.85 -0.82 0.52 0.56 0.00 0.00 179.97 181.10 1r2u h MET 47 N 1.27 0.55 -0.18 0.04 2.86 -1.41 -3.29 114.93 114.77 1r2u h MET 47 Ca 0.34 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1r2u h MET 47 Cb -0.09 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1r2u h MET 47 CO -0.07 1.12 0.03 1.25 1.06 0.00 0.00 176.91 180.30 1r2u h LEU 48 N 0.36 0.28 0.00 1.22 5.85 -0.80 -3.47 115.31 118.75 1r2u h LEU 48 Ca -0.06 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1r2u h LEU 48 Cb 1.43 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1r2u h LEU 48 CO 0.15 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 1r2u n GLY 49 N -0.44 0.17 3.38 3.75 0.00 0.36 -5.10 105.19 107.32 1r2u n GLY 49 Ca -0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.08 -0.44 1.61 -0.21 0.35 -5.01 119.66 117.04 1r2u s GLN 50 Ca 0.00 -0.39 0.05 0.00 0.02 0.00 0.00 55.36 55.05 1r2u s GLN 50 Cb 0.00 0.49 0.19 0.00 1.00 0.00 0.00 33.01 34.69 1r2u s GLN 50 CO 0.00 -0.41 0.49 -1.71 -2.12 0.00 0.00 175.29 171.54 1r2u n ASN 51 N 0.13 -1.19 -2.12 5.90 5.15 -1.26 -2.83 115.26 119.04 1r2u n ASN 51 Ca -0.18 -2.61 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 1r2u n ASN 51 Cb 0.62 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.96 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 2.53 0.49 -3.36 1.20 -0.04 -1.26 -5.11 135.00 129.45 1r2u n PRO 52 Ca 0.24 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 1r2u n PRO 52 Cb 0.52 0.00 -0.02 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 -0.38 2.79 0.28 0.52 -4.23 -1.26 -4.95 115.64 108.41 1r2u s THR 53 Ca 0.00 -1.22 0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1r2u s THR 53 Cb 0.00 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.88 1r2u s THR 53 CO 0.00 -0.00 1.70 1.55 -0.54 0.00 0.00 174.62 177.33 1r2u h PRO 54 N 0.88 0.00 0.03 3.99 0.13 -1.99 -1.39 132.00 133.65 1r2u h PRO 54 Ca -0.41 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.47 1r2u h PRO 54 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1r2u h PRO 54 CO 0.53 0.50 -1.31 1.05 -0.23 0.00 0.00 178.00 178.54 1r2u h GLU 55 N 0.00 0.06 0.19 0.86 4.11 -1.99 -3.02 114.58 114.79 1r2u h GLU 55 Ca -0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1r2u h GLU 55 Cb 0.94 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r2u h GLU 55 CO 0.07 0.89 -0.09 1.49 0.07 0.00 0.00 179.01 181.43 1r2u h GLU 56 N 0.02 -0.25 -0.48 1.06 4.81 -1.93 -3.13 114.58 114.67 1r2u h GLU 56 Ca -0.14 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1r2u h GLU 56 Cb 1.89 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 1r2u h GLU 56 CO 0.13 0.15 0.28 1.37 -0.73 0.00 0.00 179.01 180.20 1r2u h LEU 57 N -0.86 0.58 -0.18 1.64 8.10 -1.42 -2.75 115.31 120.42 1r2u h LEU 57 Ca -0.03 -0.03 0.04 0.00 0.11 0.00 0.00 57.88 57.97 1r2u h LEU 57 Cb 0.51 -0.15 -0.04 0.00 -0.44 0.00 0.00 40.66 40.55 1r2u h LEU 57 CO 0.04 0.46 -0.07 -0.61 -4.11 0.00 0.00 178.44 174.15 1r2u h GLN 58 N 0.66 -0.04 -0.76 0.17 5.75 -1.58 0.57 115.11 119.87 1r2u h GLN 58 Ca 0.17 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1r2u h GLN 58 Cb -0.00 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1r2u h GLN 58 CO -0.03 -0.03 0.42 0.93 -2.65 0.00 0.00 178.83 177.47 1r2u h GLU 59 N -0.04 1.05 -0.45 1.69 4.39 -1.44 -2.55 114.58 117.24 1r2u h GLU 59 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1r2u h GLU 59 Cb 0.19 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1r2u h GLU 59 CO -0.21 0.77 0.13 0.52 -1.16 0.00 0.00 179.01 179.07 1r2u h MET 60 N 1.06 0.70 0.00 2.33 2.86 -1.11 -2.06 114.93 118.71 1r2u h MET 60 Ca 0.27 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1r2u h MET 60 Cb 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1r2u h MET 60 CO -0.04 0.68 0.00 -0.89 1.06 0.00 0.00 176.91 177.71 1r2u n ILE 61 N -4.55 0.00 -0.36 -1.22 5.41 0.12 -1.32 119.36 117.44 1r2u n ILE 61 Ca 0.00 1.44 0.28 0.00 1.00 0.00 0.00 62.75 65.47 1r2u n ILE 61 Cb 0.19 -2.36 0.55 0.00 -0.71 0.00 0.00 39.64 37.31 1r2u n ILE 61 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1r2u h ASP 62 N 0.00 0.38 -0.29 4.38 3.58 -1.56 0.68 116.42 123.59 1r2u h ASP 62 Ca 0.00 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1r2u h ASP 62 Cb 0.00 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1r2u h ASP 62 CO 0.00 -0.03 0.12 -0.33 -2.88 0.00 0.00 179.24 176.12 1r2u h GLU 63 N 0.28 0.43 0.00 0.28 4.39 -1.13 -3.03 114.58 115.80 1r2u h GLU 63 Ca 0.69 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 60.24 1r2u h GLU 63 Cb 1.88 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 1r2u h GLU 63 CO -0.37 0.45 -0.54 -0.39 -1.16 0.00 0.00 179.01 177.00 1r2u h VAL 64 N 0.32 0.48 -1.18 3.13 -1.51 0.58 -3.45 116.25 114.62 1r2u h VAL 64 Ca 0.10 -1.72 -0.58 0.00 -1.23 0.00 0.00 66.70 63.26 1r2u h VAL 64 Cb 0.18 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1r2u h VAL 64 CO -0.01 0.28 1.54 -0.67 -1.23 0.00 0.00 177.57 177.47 1r2u n ASP 65 N -3.09 2.06 -0.26 4.19 -0.08 0.21 -4.61 116.55 114.98 1r2u n ASP 65 Ca 0.01 0.11 0.06 0.00 -1.51 0.00 0.00 54.79 53.46 1r2u n ASP 65 Cb 0.67 -1.34 0.18 0.00 2.34 0.00 0.00 41.12 42.98 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 14.59 0.16 0.00 -0.67 4.39 -1.87 -3.24 114.58 127.93 1r2u h GLU 66 Ca -0.25 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1r2u h GLU 66 Cb 1.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1r2u h GLU 66 CO 1.10 0.10 -1.23 -0.40 -1.16 0.00 0.00 179.01 177.43 1r2u n ASP 67 N -5.28 4.10 -0.70 1.42 5.75 -1.26 -5.05 116.55 115.54 1r2u n ASP 67 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1r2u n ASP 67 Cb 0.50 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 1r2u n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r2u n GLY 68 N 2.63 0.50 0.11 6.12 0.00 -1.23 -5.02 105.19 108.30 1r2u n GLY 68 Ca -0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1r2u n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r2u h SER 69 N 0.00 0.29 0.00 1.61 4.64 -1.97 -3.49 113.55 114.64 1r2u h SER 69 Ca 0.00 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1r2u h SER 69 Cb 0.73 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1r2u h SER 69 CO 0.00 1.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.03 1r2u n GLY 70 N 1.66 1.16 3.78 -0.77 0.00 -1.26 -5.12 105.19 104.65 1r2u n GLY 70 Ca -0.21 0.00 -0.31 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 4.56 -0.29 2.61 -4.23 -1.26 -0.26 115.64 116.77 1r2u s THR 71 Ca 0.00 -0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 1r2u s THR 71 Cb 0.00 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 1r2u s THR 71 CO 0.00 0.14 0.14 -0.69 -0.54 0.00 0.00 174.62 173.67 1r2u s VAL 72 N -1.38 4.69 0.74 2.29 1.01 0.12 -4.85 120.40 123.02 1r2u s VAL 72 Ca 0.29 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 1r2u s VAL 72 Cb -0.12 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.03 1r2u s VAL 72 CO 0.22 0.16 1.06 -1.81 0.00 0.00 0.00 175.10 174.72 1r2u s ASP 73 N 1.64 4.54 0.53 3.32 1.01 -1.26 -2.35 116.67 124.10 1r2u s ASP 73 Ca 0.06 0.36 0.18 0.00 0.71 0.00 0.00 52.55 53.85 1r2u s ASP 73 Cb -0.16 -0.89 1.34 0.00 1.01 0.00 0.00 42.92 44.21 1r2u s ASP 73 CO 0.07 -1.78 2.15 0.15 0.21 0.00 0.00 175.17 175.97 1r2u h PHE 74 N -0.74 0.00 0.46 4.23 3.57 -1.98 0.43 116.94 122.91 1r2u h PHE 74 Ca -0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1r2u h PHE 74 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1r2u h PHE 74 CO 0.09 0.00 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.51 1r2u h ASP 75 N 0.00 -0.52 0.79 0.41 5.19 -2.00 -2.30 116.42 118.00 1r2u h ASP 75 Ca 0.02 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1r2u h ASP 75 Cb 0.07 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1r2u h ASP 75 CO -0.00 -0.15 0.00 -1.84 -3.12 0.00 0.00 179.24 174.13 1r2u n GLU 76 N -5.23 0.10 0.08 3.56 0.28 -1.12 -2.71 120.64 115.60 1r2u n GLU 76 Ca -0.10 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 57.02 1r2u n GLU 76 Cb 0.30 -1.66 -0.07 0.00 1.43 0.00 0.00 31.44 31.44 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 0.52 0.20 -1.84 3.57 -0.77 -3.19 116.94 115.42 1r2u h PHE 77 Ca 0.00 -0.32 -0.29 0.00 3.53 0.00 0.00 57.97 60.89 1r2u h PHE 77 Cb 0.40 -0.04 0.02 0.00 2.79 0.00 0.00 35.95 39.12 1r2u h PHE 77 CO 0.00 1.17 -1.34 -0.07 -2.23 0.00 0.00 178.31 175.84 1r2u h LEU 78 N 0.15 0.65 -2.22 0.59 3.38 -1.21 -3.31 115.31 113.34 1r2u h LEU 78 Ca -0.09 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 56.98 1r2u h LEU 78 Cb 1.72 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1r2u h LEU 78 CO 0.17 1.63 0.09 -0.37 0.09 0.00 0.00 178.44 180.06 1r2u h VAL 79 N -0.06 0.67 -1.27 1.22 -1.51 -1.64 -2.65 116.25 111.02 1r2u h VAL 79 Ca -0.25 0.00 0.40 0.00 -1.23 0.00 0.00 66.70 65.62 1r2u h VAL 79 Cb 1.97 0.93 -0.12 0.00 -2.13 0.00 0.00 31.29 31.94 1r2u h VAL 79 CO 0.20 0.00 0.82 0.24 -1.23 0.00 0.00 177.57 177.60 1r2u h MET 80 N 0.00 0.14 0.04 5.19 2.86 -1.63 0.73 114.93 122.26 1r2u h MET 80 Ca 0.05 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 80 Cb 0.22 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 80 CO -0.00 0.10 -0.39 0.52 1.06 0.00 0.00 176.91 178.20 1r2u h MET 81 N 0.15 0.19 0.00 1.72 2.86 -1.72 -3.35 114.93 114.78 1r2u h MET 81 Ca 0.76 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 58.04 1r2u h MET 81 Cb 2.35 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 34.09 1r2u h MET 81 CO -0.37 1.05 -0.50 -0.39 1.06 0.00 0.00 176.91 177.77 1r2u h VAL 82 N -0.55 0.92 0.00 -2.22 -1.51 -1.25 -3.20 116.25 108.44 1r2u h VAL 82 Ca -0.06 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 1r2u h VAL 82 Cb 1.22 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1r2u h VAL 82 CO 0.07 0.49 0.00 0.08 -1.23 0.00 0.00 177.57 176.98 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 -0.00 0.25 -1.77 114.38 118.05 1r2u h ARG 83 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1r2u h ARG 83 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1r2u h ARG 83 CO 0.07 0.00 -0.65 0.00 -0.00 0.00 0.00 179.97 179.39 1r2u n MET 85 N -2.38 2.68 0.05 0.00 0.00 -0.67 -4.51 117.12 112.29 1r2u n MET 85 Ca 0.02 -3.40 -0.20 0.00 0.00 0.00 0.00 57.70 54.13 1r2u n MET 85 Cb 0.48 -2.21 -0.14 0.00 0.00 0.00 0.00 33.22 31.34 1r2u n MET 85 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1r2u h LYS 86 N 1.74 0.29 0.00 3.17 2.10 -1.68 -3.48 116.57 118.71 1r2u h LYS 86 Ca 0.52 -0.49 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1r2u h LYS 86 Cb 1.41 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1r2u h LYS 86 CO 1.21 1.16 0.00 -3.47 -2.00 0.00 0.00 179.45 176.36 1r2u n ASP 87 N -3.48 0.00 -3.06 7.07 -0.08 -1.26 -5.02 116.55 110.73 1r2u n ASP 87 Ca -0.23 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.90 1r2u n ASP 87 Cb 1.06 0.10 0.08 0.00 2.34 0.00 0.00 41.12 44.69 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r2u n ASP 88 N -1.64 -2.22 -0.20 1.67 2.03 -1.26 -5.21 116.55 109.71 1r2u n ASP 88 Ca 0.00 -0.53 0.03 0.00 0.52 0.00 0.00 54.79 54.81 1r2u n ASP 88 Cb 0.00 -4.43 0.02 0.00 -0.72 0.00 0.00 41.12 35.99 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74