#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 5.78 -0.00 3.17 -0.87 -1.26 -4.52 114.94 117.24 1r2u s ASN 2 Ca 0.00 -1.55 0.00 0.00 -1.57 0.00 0.00 52.86 49.74 1r2u s ASN 2 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1r2u s ASN 2 CO 0.00 -2.23 0.82 0.47 -2.57 0.00 0.00 177.10 173.59 1r2u n ASP 3 N 11.77 1.27 0.13 -1.22 8.00 -1.26 -4.71 116.55 130.53 1r2u n ASP 3 Ca 0.42 -1.64 0.02 0.00 0.71 0.00 0.00 54.79 54.30 1r2u n ASP 3 Cb 0.47 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r2u h ILE 4 N 1.11 0.89 -0.23 0.53 -0.00 -1.95 -2.84 117.51 115.02 1r2u h ILE 4 Ca 0.00 -2.28 -0.08 0.00 -0.00 0.00 0.00 64.86 62.51 1r2u h ILE 4 Cb 0.69 2.43 -0.01 0.00 -0.00 0.00 0.00 36.82 39.92 1r2u h ILE 4 CO 0.00 0.51 -0.18 1.88 -0.00 0.00 0.00 178.15 180.36 1r2u h TYR 5 N 0.00 0.45 0.15 0.16 0.05 -1.89 0.44 116.97 116.32 1r2u h TYR 5 Ca -0.01 -0.08 -0.29 0.00 0.05 0.00 0.00 58.73 58.40 1r2u h TYR 5 Cb 1.42 -0.12 0.02 0.00 1.01 0.00 0.00 36.73 39.06 1r2u h TYR 5 CO 0.00 0.58 -1.27 0.87 -1.05 0.00 0.00 178.16 177.29 1r2u h LYS 6 N 0.38 0.43 0.00 4.88 1.79 -1.89 -1.40 116.57 120.76 1r2u h LYS 6 Ca 0.07 -0.65 -0.09 0.00 -2.18 0.00 0.00 60.65 57.79 1r2u h LYS 6 Cb 0.54 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1r2u h LYS 6 CO 0.04 1.29 -0.45 0.00 -1.08 0.00 0.00 179.45 179.25 1r2u h ALA 7 N 0.44 0.94 0.03 3.86 0.00 -1.24 -3.20 119.26 120.10 1r2u h ALA 7 Ca -0.17 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 1r2u h ALA 7 Cb 1.97 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1r2u h ALA 7 CO 0.22 0.56 -1.55 0.00 0.00 0.00 0.00 179.25 178.49 1r2u h ALA 8 N 1.55 0.56 -0.85 0.00 0.00 -0.15 -3.36 119.26 117.02 1r2u h ALA 8 Ca -0.00 -1.27 0.13 0.00 0.00 0.00 0.00 54.91 53.76 1r2u h ALA 8 Cb 1.00 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1r2u h ALA 8 CO 0.06 1.40 0.55 -0.24 0.00 0.00 0.00 179.25 181.02 1r2u h VAL 9 N 0.02 0.87 0.00 0.00 3.04 -1.24 0.19 116.25 119.13 1r2u h VAL 9 Ca -0.23 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 1r2u h VAL 9 Cb 1.96 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1r2u h VAL 9 CO 0.11 0.12 -0.15 1.05 -1.01 0.00 0.00 177.57 177.69 1r2u h GLU 10 N 0.68 0.00 0.10 4.17 -0.00 -1.70 -3.14 114.58 114.68 1r2u h GLU 10 Ca 0.41 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.49 1r2u h GLU 10 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.38 1r2u h GLU 10 CO -0.17 0.15 -1.48 1.96 -0.00 0.00 0.00 179.01 179.47 1r2u h GLN 11 N 0.00 0.21 -7.00 1.06 1.08 -0.90 -3.47 115.11 106.09 1r2u h GLN 11 Ca -0.00 -0.36 -0.54 0.00 -1.45 0.00 0.00 58.65 56.30 1r2u h GLN 11 Cb 0.54 0.13 0.11 0.00 -0.05 0.00 0.00 27.48 28.21 1r2u h GLN 11 CO 0.02 1.17 0.62 -0.51 -0.95 0.00 0.00 178.83 179.18 1r2u s LEU 12 N -7.51 4.03 0.41 1.46 1.43 0.01 -5.03 118.68 113.47 1r2u s LEU 12 Ca -0.22 2.72 0.07 0.00 -1.03 0.00 0.00 54.13 55.67 1r2u s LEU 12 Cb 0.05 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 1r2u s LEU 12 CO 0.74 -1.21 0.09 0.42 0.23 0.00 0.00 176.35 176.63 1r2u s THR 13 N -1.30 2.16 0.47 5.49 -4.23 -1.26 -4.92 115.64 112.06 1r2u s THR 13 Ca 0.64 -1.85 0.14 0.00 -1.18 0.00 0.00 61.69 59.44 1r2u s THR 13 Cb -0.39 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.69 1r2u s THR 13 CO 0.48 -0.01 2.08 0.44 -0.54 0.00 0.00 174.62 177.07 1r2u h ASP 14 N 1.60 0.09 -0.71 3.99 3.32 -1.98 -2.28 116.42 120.46 1r2u h ASP 14 Ca -0.43 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1r2u h ASP 14 Cb 1.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1r2u h ASP 14 CO 0.75 0.13 0.46 -0.33 -1.72 0.00 0.00 179.24 178.53 1r2u h GLU 15 N 0.10 0.93 -0.20 3.56 4.39 -1.99 0.21 114.58 121.58 1r2u h GLU 15 Ca 0.02 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1r2u h GLU 15 Cb 0.11 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1r2u h GLU 15 CO 0.00 0.63 -0.18 -0.56 -1.16 0.00 0.00 179.01 177.74 1r2u h GLN 16 N 0.96 0.35 0.00 2.33 -0.00 -1.82 -2.22 115.11 114.70 1r2u h GLN 16 Ca 0.26 -0.10 -0.14 0.00 -0.00 0.00 0.00 58.65 58.67 1r2u h GLN 16 Cb -0.10 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.33 1r2u h GLN 16 CO -0.05 0.52 -0.65 0.87 -0.00 0.00 0.00 178.83 179.52 1r2u h LYS 17 N 0.32 0.00 -0.32 0.06 6.56 -1.26 -1.97 116.57 119.97 1r2u h LYS 17 Ca 0.06 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1r2u h LYS 17 Cb 0.51 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 1r2u h LYS 17 CO 0.03 0.65 0.03 -0.97 -2.06 0.00 0.00 179.45 177.14 1r2u h ASN 18 N 0.00 0.52 -0.29 0.86 -1.24 -0.03 0.31 115.58 115.71 1r2u h ASN 18 Ca -0.01 -0.28 -0.11 0.00 0.71 0.00 0.00 56.30 56.62 1r2u h ASN 18 Cb 1.39 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 1r2u h ASN 18 CO 0.08 0.67 -0.24 -0.33 -1.29 0.00 0.00 177.43 176.32 1r2u h GLU 19 N 0.35 0.67 -0.58 6.67 5.08 -1.46 -2.15 114.58 123.17 1r2u h GLU 19 Ca 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1r2u h GLU 19 Cb 0.38 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1r2u h GLU 19 CO 0.01 0.94 0.32 0.74 -1.00 0.00 0.00 179.01 180.02 1r2u h PHE 20 N 0.41 0.79 -0.41 4.33 -1.00 -1.24 0.30 116.94 120.12 1r2u h PHE 20 Ca 0.05 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 1r2u h PHE 20 Cb 0.80 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 1r2u h PHE 20 CO 0.07 0.57 0.14 -0.22 -1.61 0.00 0.00 178.31 177.26 1r2u h LYS 21 N 0.78 0.63 -0.35 1.51 1.63 -0.35 -0.02 116.57 120.41 1r2u h LYS 21 Ca 0.20 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.79 1r2u h LYS 21 Cb 0.04 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1r2u h LYS 21 CO -0.03 0.61 -0.11 0.00 -3.45 0.00 0.00 179.45 176.47 1r2u h ALA 22 N 0.99 0.48 0.00 5.00 0.00 -1.18 0.31 119.26 124.86 1r2u h ALA 22 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1r2u h ALA 22 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r2u h ALA 22 CO -0.01 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.50 1r2u h ALA 23 N 0.80 1.57 0.00 0.00 0.00 -0.26 -1.83 119.26 119.54 1r2u h ALA 23 Ca 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1r2u h ALA 23 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1r2u h ALA 23 CO 0.04 0.13 -0.52 0.35 0.00 0.00 0.00 179.25 179.26 1r2u h PHE 24 N 0.00 0.00 -0.81 0.00 3.57 -0.69 -3.37 116.94 115.64 1r2u h PHE 24 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1r2u h PHE 24 Cb 0.22 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.85 1r2u h PHE 24 CO 0.00 0.70 0.32 0.22 -2.23 0.00 0.00 178.31 177.32 1r2u h ASP 25 N -1.00 0.27 -0.85 0.41 3.58 -0.32 0.18 116.42 118.68 1r2u h ASP 25 Ca -0.11 0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.58 1r2u h ASP 25 Cb 0.77 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.88 1r2u h ASP 25 CO -0.07 0.05 0.55 0.16 -2.88 0.00 0.00 179.24 177.06 1r2u h ILE 26 N 0.41 0.92 0.00 2.25 3.07 -1.51 -1.24 117.51 121.42 1r2u h ILE 26 Ca 0.47 -0.26 -0.16 0.00 1.55 0.00 0.00 64.86 66.46 1r2u h ILE 26 Cb 0.80 0.08 -0.02 0.00 -0.27 0.00 0.00 36.82 37.41 1r2u h ILE 26 CO -0.47 0.14 -1.00 -0.26 -1.05 0.00 0.00 178.15 175.51 1r2u h PHE 27 N 0.77 0.00 -0.57 0.16 0.04 -1.22 -3.31 116.94 112.81 1r2u h PHE 27 Ca 0.40 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.87 1r2u h PHE 27 Cb 0.51 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.48 1r2u h PHE 27 CO -0.00 0.64 0.38 -0.89 -0.60 0.00 0.00 178.31 177.84 1r2u n ILE 28 N -3.10 2.29 0.12 -0.55 2.08 -0.13 -4.30 119.36 115.77 1r2u n ILE 28 Ca -0.04 -1.14 -0.01 0.00 0.56 0.00 0.00 62.75 62.13 1r2u n ILE 28 Cb 0.83 -0.74 0.26 0.00 -0.75 0.00 0.00 39.64 39.23 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 0.63 0.18 -0.35 0.38 3.07 -1.57 -3.35 115.11 114.10 1r2u h GLN 29 Ca 0.36 -0.08 -0.25 0.00 0.09 0.00 0.00 58.65 58.77 1r2u h GLN 29 Cb 1.99 -0.00 -0.26 0.00 0.08 0.00 0.00 27.48 29.28 1r2u h GLN 29 CO 0.65 0.55 -0.70 -3.47 0.09 0.00 0.00 178.83 175.95 1r2u n ASP 30 N -4.04 -0.29 -4.76 0.06 2.03 -1.26 -5.14 116.55 103.15 1r2u n ASP 30 Ca -0.01 -2.40 -0.30 0.00 0.52 0.00 0.00 54.79 52.60 1r2u n ASP 30 Cb 0.46 0.26 0.12 0.00 -0.72 0.00 0.00 41.12 41.24 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 -1.42 1.86 -0.09 -1.67 0.00 -1.26 -5.01 121.76 114.17 1r2u s ALA 31 Ca 0.21 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 1r2u s ALA 31 Cb 0.41 -3.14 -0.28 0.00 0.00 0.00 0.00 23.12 20.11 1r2u s ALA 31 CO -0.05 -2.08 0.62 0.93 0.00 0.00 0.00 175.76 175.17 1r2u h GLU 32 N -1.35 0.25 0.00 0.00 4.39 -1.97 -3.39 114.58 112.51 1r2u h GLU 32 Ca -0.49 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 58.74 1r2u h GLU 32 Cb 1.28 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 30.01 1r2u h GLU 32 CO 0.57 1.21 -0.51 -0.25 -1.16 0.00 0.00 179.01 178.86 1r2u n ASP 33 N -3.96 1.53 -2.85 1.42 9.92 -1.26 -4.99 116.55 116.36 1r2u n ASP 33 Ca -0.23 -3.15 -0.13 0.00 -0.53 0.00 0.00 54.79 50.75 1r2u n ASP 33 Cb 0.89 -0.43 0.07 0.00 -0.64 0.00 0.00 41.12 41.01 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N -0.73 -0.19 3.65 0.44 0.00 -1.26 -5.03 105.19 102.07 1r2u n GLY 34 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.96 2.04 -0.01 0.00 -5.25 0.13 -4.70 121.20 109.45 1r2u s ILE 36 Ca 0.16 -1.18 -0.14 0.00 -0.99 0.00 0.00 60.65 58.49 1r2u s ILE 36 Cb -0.02 -2.22 -0.06 0.00 2.95 0.00 0.00 42.46 43.11 1r2u s ILE 36 CO 0.06 0.00 0.40 -0.55 -1.79 0.00 0.00 174.94 173.05 1r2u s SER 37 N -4.50 6.78 0.26 4.36 0.15 -1.26 0.30 113.70 119.80 1r2u s SER 37 Ca 0.51 0.93 -0.03 0.00 0.70 0.00 0.00 55.95 58.07 1r2u s SER 37 Cb -0.05 -2.24 0.40 0.00 -1.71 0.00 0.00 66.02 62.42 1r2u s SER 37 CO 0.32 0.31 1.87 0.71 1.20 0.00 0.00 173.24 177.65 1r2u h THR 38 N 3.77 1.06 0.00 6.45 1.35 -1.86 0.46 112.91 124.14 1r2u h THR 38 Ca -0.51 -0.38 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1r2u h THR 38 Cb 1.22 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1r2u h THR 38 CO 0.62 0.20 -0.30 0.07 -0.25 0.00 0.00 175.52 175.86 1r2u h LYS 39 N 1.10 0.00 -0.00 4.72 2.10 -1.94 -2.60 116.57 119.95 1r2u h LYS 39 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1r2u h LYS 39 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1r2u h LYS 39 CO -0.18 0.30 0.00 -1.91 -2.00 0.00 0.00 179.45 175.65 1r2u n GLU 40 N -3.56 1.01 0.20 0.07 2.13 0.13 -3.72 120.64 116.89 1r2u n GLU 40 Ca -0.01 -0.01 0.07 0.00 0.66 0.00 0.00 57.16 57.87 1r2u n GLU 40 Cb 0.44 -1.48 0.57 0.00 0.27 0.00 0.00 31.44 31.24 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 0.02 0.10 -0.92 4.31 5.85 -1.16 0.05 115.31 123.56 1r2u h LEU 41 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1r2u h LEU 41 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1r2u h LEU 41 CO 0.00 0.11 0.00 1.23 -0.34 0.00 0.00 178.44 179.44 1r2u h GLY 42 N 0.21 0.00 1.11 3.75 0.00 -1.81 -2.91 103.07 103.41 1r2u h GLY 42 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 1r2u h GLY 42 CO -0.00 0.00 -1.62 1.70 0.00 0.00 0.00 176.54 176.62 1r2u h LYS 43 N 0.00 0.39 -0.10 4.80 1.63 -1.25 -3.32 116.57 118.72 1r2u h LYS 43 Ca 0.00 -0.66 -0.10 0.00 -0.85 0.00 0.00 60.65 59.03 1r2u h LYS 43 Cb 0.41 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1r2u h LYS 43 CO 0.00 1.29 -0.41 -0.39 -3.45 0.00 0.00 179.45 176.50 1r2u h VAL 44 N 0.11 1.31 -0.43 2.00 -1.51 -1.41 -2.75 116.25 113.56 1r2u h VAL 44 Ca -0.29 -1.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.67 1r2u h VAL 44 Cb 2.09 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 32.91 1r2u h VAL 44 CO 0.20 0.45 0.26 0.24 -1.23 0.00 0.00 177.57 177.49 1r2u h MET 45 N 0.19 0.57 -0.95 5.19 2.86 -1.63 0.37 114.93 121.54 1r2u h MET 45 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1r2u h MET 45 Cb 0.80 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 1r2u h MET 45 CO 0.06 0.40 0.59 0.00 1.06 0.00 0.00 176.91 179.03 1r2u h ARG 46 N 0.59 1.27 0.15 1.72 3.08 -1.43 0.38 114.38 120.13 1r2u h ARG 46 Ca 0.16 -0.10 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1r2u h ARG 46 Cb -0.03 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.76 1r2u h ARG 46 CO -0.03 0.86 -1.29 0.52 -1.07 0.00 0.00 179.97 178.96 1r2u h MET 47 N 1.29 0.31 0.48 0.04 2.86 -1.41 -3.38 114.93 115.13 1r2u h MET 47 Ca 0.34 -0.54 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1r2u h MET 47 Cb -0.10 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r2u h MET 47 CO -0.07 1.25 -0.23 1.25 1.06 0.00 0.00 176.91 180.18 1r2u h LEU 48 N 0.09 -0.54 0.00 1.22 5.85 -0.65 -3.48 115.31 117.79 1r2u h LEU 48 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1r2u h LEU 48 Cb 2.01 0.14 0.00 0.00 0.37 0.00 0.00 40.66 43.18 1r2u h LEU 48 CO 0.21 -0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.81 1r2u n GLY 49 N 0.12 -0.10 3.37 3.75 0.00 0.99 -5.08 105.19 108.24 1r2u n GLY 49 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 1.17 -0.49 1.61 -0.21 0.84 -5.02 119.66 117.55 1r2u s GLN 50 Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 55.36 54.79 1r2u s GLN 50 Cb 0.00 0.51 0.19 0.00 1.00 0.00 0.00 33.01 34.71 1r2u s GLN 50 CO 0.00 -0.48 0.64 -1.71 -2.12 0.00 0.00 175.29 171.62 1r2u n ASN 51 N -0.29 -2.71 -2.12 5.90 5.15 -1.26 -3.14 115.26 116.78 1r2u n ASN 51 Ca -0.16 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 51.02 1r2u n ASN 51 Cb 0.64 1.20 0.00 0.00 -0.53 0.00 0.00 39.78 41.09 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 2.84 0.52 -3.51 1.20 -0.04 -1.26 -5.12 135.00 129.63 1r2u n PRO 52 Ca 0.20 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1r2u n PRO 52 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.35 2.19 0.21 0.52 -4.23 -1.26 -4.95 115.64 107.77 1r2u s THR 53 Ca 0.00 -1.29 0.12 0.00 -1.18 0.00 0.00 61.69 59.35 1r2u s THR 53 Cb 0.00 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1r2u s THR 53 CO 0.00 0.00 1.59 1.55 -0.54 0.00 0.00 174.62 177.22 1r2u h PRO 54 N 0.69 0.00 0.08 3.99 0.13 -2.00 -1.49 132.00 133.41 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 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1r2u h PRO 54 CO 0.52 0.61 -1.42 1.05 -0.23 0.00 0.00 178.00 178.53 1r2u h GLU 55 N 0.00 0.17 0.00 0.86 4.11 -1.99 -3.04 114.58 114.69 1r2u h GLU 55 Ca -0.01 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1r2u h GLU 55 Cb 1.15 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1r2u h GLU 55 CO 0.08 1.02 -0.00 0.93 0.07 0.00 0.00 179.01 181.11 1r2u h GLU 56 N 0.05 -0.00 -0.06 1.06 4.39 -1.96 -3.20 114.58 114.85 1r2u h GLU 56 Ca -0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1r2u h GLU 56 Cb 1.96 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1r2u h GLU 56 CO 0.15 0.68 0.03 1.25 -1.16 0.00 0.00 179.01 179.96 1r2u h LEU 57 N -0.69 0.07 -0.97 1.33 6.46 -1.43 -1.92 115.31 118.16 1r2u h LEU 57 Ca -0.00 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1r2u h LEU 57 Cb 0.68 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 1r2u h LEU 57 CO 0.00 0.06 0.63 -0.61 -0.62 0.00 0.00 178.44 177.91 1r2u h GLN 58 N 0.09 1.16 -0.64 1.25 -0.00 -1.53 -1.70 115.11 113.74 1r2u h GLN 58 Ca 0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1r2u h GLN 58 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 27.48 27.20 1r2u h GLN 58 CO -0.00 0.77 0.31 0.93 0.00 0.00 0.00 178.83 180.84 1r2u h GLU 59 N 1.20 0.93 -0.96 1.69 5.08 -1.37 -2.40 114.58 118.74 1r2u h GLU 59 Ca 0.40 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1r2u h GLU 59 Cb 0.06 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1r2u h GLU 59 CO -0.14 0.74 0.64 0.52 -1.00 0.00 0.00 179.01 179.76 1r2u h MET 60 N 0.89 1.22 0.00 2.33 2.86 -1.31 -0.90 114.93 120.02 1r2u h MET 60 Ca 0.22 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1r2u h MET 60 Cb 0.11 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1r2u h MET 60 CO -0.03 0.81 0.00 -0.89 1.06 0.00 0.00 176.91 177.86 1r2u n ILE 61 N -4.42 0.00 -0.05 -1.22 2.08 -0.73 -1.40 119.36 113.62 1r2u n ILE 61 Ca 0.12 1.45 0.13 0.00 0.56 0.00 0.00 62.75 65.01 1r2u n ILE 61 Cb 0.06 -2.27 0.53 0.00 -0.75 0.00 0.00 39.64 37.21 1r2u n ILE 61 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1r2u h ASP 62 N 0.00 0.29 -0.51 4.38 3.58 -1.53 0.49 116.42 123.12 1r2u h ASP 62 Ca 0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1r2u h ASP 62 Cb 0.00 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1r2u h ASP 62 CO 0.00 0.18 0.29 -0.33 -2.88 0.00 0.00 179.24 176.50 1r2u h GLU 63 N 0.33 0.74 0.00 0.28 5.08 -0.85 -3.10 114.58 117.06 1r2u h GLU 63 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1r2u h GLU 63 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r2u h GLU 63 CO -0.06 0.55 -1.36 1.33 -1.00 0.00 0.00 179.01 178.47 1r2u n VAL 64 N -4.40 0.00 -2.06 3.13 0.24 -0.50 -4.86 118.33 109.89 1r2u n VAL 64 Ca 0.05 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.34 61.78 1r2u n VAL 64 Cb 0.10 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 32.89 1r2u n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r2u s ASP 65 N -3.34 5.20 0.12 -1.34 -1.08 0.16 -4.65 116.67 111.74 1r2u s ASP 65 Ca -0.01 -0.52 -0.16 0.00 -0.52 0.00 0.00 52.55 51.33 1r2u s ASP 65 Cb 0.11 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1r2u s ASP 65 CO 0.67 -2.65 1.62 -0.33 0.52 0.00 0.00 175.17 174.99 1r2u h GLU 66 N 11.87 0.59 0.14 4.34 4.39 -1.88 -3.24 114.58 130.79 1r2u h GLU 66 Ca 0.04 -0.14 -0.31 0.00 0.34 0.00 0.00 59.36 59.28 1r2u h GLU 66 Cb 1.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1r2u h GLU 66 CO 1.22 0.64 -1.52 0.38 -1.16 0.00 0.00 179.01 178.56 1r2u h ASP 67 N 0.45 0.48 -3.24 1.42 3.04 -1.97 -3.49 116.42 113.11 1r2u h ASP 67 Ca 0.12 -0.62 -0.12 0.00 -3.24 0.00 0.00 57.03 53.16 1r2u h ASP 67 Cb 0.31 -0.15 0.06 0.00 -1.04 0.00 0.00 39.33 38.50 1r2u h ASP 67 CO 0.00 1.51 -0.27 0.61 -2.04 0.00 0.00 179.24 179.05 1r2u n GLY 68 N 1.68 0.19 0.12 7.15 0.00 -1.23 -5.00 105.19 108.10 1r2u n GLY 68 Ca -0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.56 1.89 0.00 1.61 3.41 -1.26 -5.03 113.62 112.69 1r2u n SER 69 Ca -0.09 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1r2u n SER 69 Cb 0.56 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.39 0.82 3.75 5.00 0.00 -1.26 -5.14 105.19 109.75 1r2u n GLY 70 Ca -0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.29 2.61 -4.23 -1.26 -2.87 115.64 113.90 1r2u s THR 71 Ca 0.00 -0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 1r2u s THR 71 Cb 0.00 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1r2u s THR 71 CO 0.00 0.04 0.15 -0.69 -0.54 0.00 0.00 174.62 173.59 1r2u s VAL 72 N -1.49 4.79 0.82 2.29 1.01 0.15 -4.87 120.40 123.10 1r2u s VAL 72 Ca 0.29 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1r2u s VAL 72 Cb -0.11 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 33.05 1r2u s VAL 72 CO 0.21 0.16 1.14 -1.81 0.00 0.00 0.00 175.10 174.81 1r2u s ASP 73 N 1.66 3.96 0.34 3.32 1.01 -1.26 -0.69 116.67 125.01 1r2u s ASP 73 Ca 0.06 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.50 1r2u s ASP 73 Cb -0.16 -0.45 0.61 0.00 1.01 0.00 0.00 42.92 43.92 1r2u s ASP 73 CO 0.07 -2.16 1.89 0.15 0.21 0.00 0.00 175.17 175.33 1r2u h PHE 74 N -1.02 0.55 -0.62 4.23 3.57 -1.98 0.27 116.94 121.94 1r2u h PHE 74 Ca -0.42 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.27 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1r2u h PHE 74 CO -0.44 0.53 0.03 -0.44 -2.23 0.00 0.00 178.31 175.76 1r2u h ASP 75 N 0.52 1.04 1.59 0.41 5.19 -1.97 0.58 116.42 123.78 1r2u h ASP 75 Ca 0.11 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1r2u h ASP 75 Cb 0.30 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 1r2u h ASP 75 CO 0.01 1.08 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.75 1r2u h GLU 76 N 0.97 0.00 0.11 3.56 5.08 -1.69 -2.72 114.58 119.89 1r2u h GLU 76 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1r2u h GLU 76 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1r2u h GLU 76 CO 0.03 0.12 -0.95 0.35 -1.00 0.00 0.00 179.01 177.56 1r2u h PHE 77 N 0.00 0.75 -0.04 4.33 3.57 0.09 -3.33 116.94 122.31 1r2u h PHE 77 Ca -0.00 -0.48 -0.17 0.00 3.53 0.00 0.00 57.97 60.85 1r2u h PHE 77 Cb 0.95 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1r2u h PHE 77 CO 0.00 1.34 -0.73 -0.07 -2.23 0.00 0.00 178.31 176.62 1r2u h LEU 78 N -0.05 0.26 -2.30 0.59 3.38 -0.93 -3.15 115.31 113.10 1r2u h LEU 78 Ca -0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1r2u h LEU 78 Cb 1.68 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1r2u h LEU 78 CO 0.18 0.90 -0.03 -0.37 0.09 0.00 0.00 178.44 179.21 1r2u h VAL 79 N 0.14 0.60 -1.21 1.22 -1.51 -1.60 -2.63 116.25 111.26 1r2u h VAL 79 Ca -0.02 -0.12 0.35 0.00 -1.23 0.00 0.00 66.70 65.67 1r2u h VAL 79 Cb 1.29 1.08 -0.08 0.00 -2.13 0.00 0.00 31.29 31.45 1r2u h VAL 79 CO 0.11 0.03 0.83 0.24 -1.23 0.00 0.00 177.57 177.55 1r2u h MET 80 N 0.00 0.14 0.00 5.19 2.86 -1.65 0.92 114.93 122.39 1r2u h MET 80 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1r2u h MET 80 Cb 0.07 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1r2u h MET 80 CO 0.00 0.09 -0.07 0.52 1.06 0.00 0.00 176.91 178.51 1r2u h MET 81 N 0.14 0.00 -0.09 1.72 2.86 -1.71 -3.37 114.93 114.49 1r2u h MET 81 Ca 0.63 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.15 1r2u h MET 81 Cb 2.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.80 1r2u h MET 81 CO -0.16 0.97 -0.48 -0.39 1.06 0.00 0.00 176.91 177.91 1r2u h VAL 82 N -1.00 1.34 -0.22 -2.22 -1.51 -1.36 -3.04 116.25 108.24 1r2u h VAL 82 Ca -0.02 -1.70 0.07 0.00 -1.23 0.00 0.00 66.70 63.82 1r2u h VAL 82 Cb 0.99 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1r2u h VAL 82 CO -0.01 0.50 0.27 0.08 -1.23 0.00 0.00 177.57 177.18 1r2u h ARG 83 N 0.18 0.00 -0.17 5.19 -0.00 0.67 0.41 114.38 120.66 1r2u h ARG 83 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.97 1r2u h ARG 83 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.88 1r2u h ARG 83 CO 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 179.97 180.07 1r2u h MET 85 N 0.24 0.68 -7.08 0.00 2.86 -1.11 -3.45 114.93 107.07 1r2u h MET 85 Ca 0.06 -0.43 -0.55 0.00 -2.06 0.00 0.00 59.70 56.72 1r2u h MET 85 Cb 0.12 0.05 0.14 0.00 0.06 0.00 0.00 31.60 31.97 1r2u h MET 85 CO -0.00 1.05 0.54 0.21 1.06 0.00 0.00 176.91 179.77 1r2u s LYS 86 N -4.04 2.86 -1.20 1.72 2.20 -0.75 -4.93 119.74 115.60 1r2u s LYS 86 Ca -0.09 2.07 -0.12 0.00 -0.36 0.00 0.00 55.97 57.47 1r2u s LYS 86 Cb 0.11 -2.01 0.19 0.00 -1.51 0.00 0.00 37.83 34.61 1r2u s LYS 86 CO 0.86 -1.36 1.42 -0.40 -0.36 0.00 0.00 175.35 175.51 1r2u n ASP 87 N -1.52 5.30 -4.59 1.43 5.75 -1.26 -4.98 116.55 116.67 1r2u n ASP 87 Ca 0.13 -3.01 -0.43 0.00 -0.01 0.00 0.00 54.79 51.47 1r2u n ASP 87 Cb 0.47 -1.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.02 1r2u n ASP 87 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1r2u s ASP 88 N 2.26 6.59 0.00 -1.12 -4.77 -1.26 -5.24 116.67 113.13 1r2u s ASP 88 Ca 0.40 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 50.02 1r2u s ASP 88 Cb -0.03 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1r2u s ASP 88 CO -0.01 -1.27 0.00 -0.24 0.70 0.00 0.00 175.17 174.35