#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 5.94 -0.14 3.17 0.02 -1.26 -4.79 114.94 117.88 1r2u s ASN 2 Ca 0.00 -0.11 0.17 0.00 -1.02 0.00 0.00 52.86 51.90 1r2u s ASN 2 Cb 0.00 -2.55 0.37 0.00 0.02 0.00 0.00 41.25 39.09 1r2u s ASN 2 CO 0.00 -1.94 1.26 0.47 0.02 0.00 0.00 177.10 176.90 1r2u n ASP 3 N 10.23 2.97 0.08 -1.22 8.00 -1.26 -4.59 116.55 130.76 1r2u n ASP 3 Ca 0.09 -2.97 -0.01 0.00 0.71 0.00 0.00 54.79 52.60 1r2u n ASP 3 Cb 0.50 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.79 0.93 -0.14 0.53 -2.65 -1.95 -2.92 117.51 112.10 1r2u h ILE 4 Ca 0.00 -2.44 -0.12 0.00 1.03 0.00 0.00 64.86 63.33 1r2u h ILE 4 Cb 1.15 2.39 -0.01 0.00 -2.05 0.00 0.00 36.82 38.30 1r2u h ILE 4 CO 0.09 0.53 -0.45 1.88 0.03 0.00 0.00 178.15 180.23 1r2u h TYR 5 N 0.00 0.41 0.10 0.16 0.05 -1.90 0.21 116.97 115.99 1r2u h TYR 5 Ca -0.08 -0.12 -0.26 0.00 0.05 0.00 0.00 58.73 58.32 1r2u h TYR 5 Cb 1.58 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 39.24 1r2u h TYR 5 CO 0.00 0.73 -1.16 0.87 -1.05 0.00 0.00 178.16 177.55 1r2u h LYS 6 N 0.28 0.35 0.00 4.88 1.79 -1.87 -0.93 116.57 121.06 1r2u h LYS 6 Ca 0.02 -0.50 -0.15 0.00 -2.18 0.00 0.00 60.65 57.84 1r2u h LYS 6 Cb 0.90 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1r2u h LYS 6 CO 0.07 1.20 -0.70 0.00 -1.08 0.00 0.00 179.45 178.94 1r2u h ALA 7 N 0.60 0.73 0.00 3.86 0.00 -1.40 -3.24 119.26 119.81 1r2u h ALA 7 Ca -0.13 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 53.95 1r2u h ALA 7 Cb 1.85 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1r2u h ALA 7 CO 0.20 0.88 -1.25 0.00 0.00 0.00 0.00 179.25 179.08 1r2u h ALA 8 N 1.30 0.63 -0.72 0.00 0.00 -0.61 -3.35 119.26 116.51 1r2u h ALA 8 Ca -0.01 -0.95 0.13 0.00 0.00 0.00 0.00 54.91 54.08 1r2u h ALA 8 Cb 1.33 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1r2u h ALA 8 CO 0.09 1.11 0.48 -0.24 0.00 0.00 0.00 179.25 180.69 1r2u h VAL 9 N 0.00 0.84 0.00 0.00 3.04 -1.19 0.27 116.25 119.21 1r2u h VAL 9 Ca -0.14 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 1r2u h VAL 9 Cb 1.70 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1r2u h VAL 9 CO 0.07 0.08 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.33 1r2u h GLU 10 N 0.45 0.00 0.14 4.17 5.08 -1.70 -3.26 114.58 119.45 1r2u h GLU 10 Ca 0.35 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.36 1r2u h GLU 10 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1r2u h GLU 10 CO -0.11 0.06 -1.81 1.96 -1.00 0.00 0.00 179.01 178.10 1r2u h GLN 11 N 0.00 0.29 -6.98 2.33 1.08 -0.77 -3.47 115.11 107.59 1r2u h GLN 11 Ca -0.00 -0.49 -0.53 0.00 -1.45 0.00 0.00 58.65 56.18 1r2u h GLN 11 Cb 0.83 0.18 0.09 0.00 -0.05 0.00 0.00 27.48 28.54 1r2u h GLN 11 CO 0.01 1.24 0.60 -0.51 -0.95 0.00 0.00 178.83 179.21 1r2u s LEU 12 N -7.23 4.09 0.36 1.46 1.43 0.31 -5.03 118.68 114.07 1r2u s LEU 12 Ca -0.21 2.65 0.08 0.00 -1.03 0.00 0.00 54.13 55.62 1r2u s LEU 12 Cb 0.06 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1r2u s LEU 12 CO 0.78 -1.06 0.30 0.42 0.23 0.00 0.00 176.35 177.02 1r2u s THR 13 N -1.31 3.18 0.38 5.49 -4.23 -1.26 -4.94 115.64 112.94 1r2u s THR 13 Ca 0.62 -1.41 0.10 0.00 -1.18 0.00 0.00 61.69 59.81 1r2u s THR 13 Cb -0.37 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.51 1r2u s THR 13 CO 0.47 -0.12 1.90 0.44 -0.54 0.00 0.00 174.62 176.77 1r2u h ASP 14 N 1.23 0.19 -0.53 3.99 3.32 -1.98 -2.72 116.42 119.92 1r2u h ASP 14 Ca -0.44 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1r2u h ASP 14 Cb 1.26 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1r2u h ASP 14 CO 0.59 0.38 0.11 -0.33 -1.72 0.00 0.00 179.24 178.28 1r2u h GLU 15 N 0.19 0.85 -0.47 3.56 4.39 -1.98 0.89 114.58 122.01 1r2u h GLU 15 Ca 0.04 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1r2u h GLU 15 Cb 0.42 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1r2u h GLU 15 CO 0.03 0.82 0.26 -0.56 -1.16 0.00 0.00 179.01 178.40 1r2u h GLN 16 N 0.74 0.63 0.08 2.33 -0.00 -1.89 0.33 115.11 117.33 1r2u h GLN 16 Ca 0.16 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.65 58.50 1r2u h GLN 16 Cb 0.36 -0.13 0.01 0.00 -0.00 0.00 0.00 27.48 27.71 1r2u h GLN 16 CO 0.00 0.46 -1.12 0.87 -0.00 0.00 0.00 178.83 179.05 1r2u h LYS 17 N 0.64 0.39 -0.81 0.06 6.56 -1.38 -1.80 116.57 120.24 1r2u h LYS 17 Ca 0.17 -0.52 -0.03 0.00 -1.06 0.00 0.00 60.65 59.21 1r2u h LYS 17 Cb 0.01 0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 1r2u h LYS 17 CO -0.03 1.20 0.39 -0.91 -2.06 0.00 0.00 179.45 178.04 1r2u h ASN 18 N 0.17 1.05 -0.11 0.86 2.35 -0.10 0.13 115.58 119.93 1r2u h ASN 18 Ca -0.12 -0.13 -0.20 0.00 -0.55 0.00 0.00 56.30 55.30 1r2u h ASN 18 Cb 1.79 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.89 1r2u h ASN 18 CO 0.19 0.89 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.87 1r2u h GLU 19 N 1.14 0.74 -0.44 0.81 4.39 -0.99 -2.33 114.58 117.90 1r2u h GLU 19 Ca 0.28 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1r2u h GLU 19 Cb 0.12 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1r2u h GLU 19 CO -0.04 1.16 0.19 0.74 -1.16 0.00 0.00 179.01 179.90 1r2u h PHE 20 N 0.53 0.66 -0.10 4.33 -1.00 -0.91 0.34 116.94 120.78 1r2u h PHE 20 Ca -0.02 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1r2u h PHE 20 Cb 1.27 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.63 1r2u h PHE 20 CO 0.07 0.56 0.03 -0.22 -1.61 0.00 0.00 178.31 177.13 1r2u h LYS 21 N 0.57 0.17 -0.40 1.51 3.11 -0.76 -0.06 116.57 120.72 1r2u h LYS 21 Ca 0.15 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1r2u h LYS 21 Cb 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1r2u h LYS 21 CO -0.01 0.34 0.23 0.00 -2.81 0.00 0.00 179.45 177.20 1r2u h ALA 22 N 0.82 0.51 0.00 5.00 0.00 -1.31 0.63 119.26 124.90 1r2u h ALA 22 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r2u h ALA 22 Cb 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r2u h ALA 22 CO 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1r2u h ALA 23 N 1.09 1.48 0.00 0.00 0.00 -0.21 -1.24 119.26 120.38 1r2u h ALA 23 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1r2u h ALA 23 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1r2u h ALA 23 CO -0.03 0.07 -0.47 0.35 0.00 0.00 0.00 179.25 179.18 1r2u h PHE 24 N 0.00 0.00 -0.91 0.00 3.57 0.03 -3.38 116.94 116.26 1r2u h PHE 24 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1r2u h PHE 24 Cb 0.14 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 1r2u h PHE 24 CO 0.00 0.49 0.58 0.22 -2.23 0.00 0.00 178.31 177.38 1r2u h ASP 25 N -1.00 0.70 -0.94 0.41 3.58 0.31 -0.58 116.42 118.91 1r2u h ASP 25 Ca -0.08 0.04 0.12 0.00 0.42 0.00 0.00 57.03 57.53 1r2u h ASP 25 Cb 0.63 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1r2u h ASP 25 CO -0.05 0.36 0.60 0.16 -2.88 0.00 0.00 179.24 177.43 1r2u h ILE 26 N 0.75 0.92 0.02 2.25 3.07 -1.41 -0.69 117.51 122.42 1r2u h ILE 26 Ca 0.46 -0.31 -0.24 0.00 1.55 0.00 0.00 64.86 66.32 1r2u h ILE 26 Cb 0.68 -0.05 -0.03 0.00 -0.27 0.00 0.00 36.82 37.14 1r2u h ILE 26 CO -0.22 0.16 -1.24 -0.26 -1.05 0.00 0.00 178.15 175.54 1r2u h PHE 27 N 0.90 0.07 -0.70 0.16 0.04 -1.41 -3.30 116.94 112.70 1r2u h PHE 27 Ca 0.46 -0.05 -0.45 0.00 2.80 0.00 0.00 57.97 60.72 1r2u h PHE 27 Cb 0.51 -0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.45 1r2u h PHE 27 CO -0.00 1.06 0.58 -0.89 -0.60 0.00 0.00 178.31 178.45 1r2u n ILE 28 N -3.30 3.01 0.11 -0.55 2.08 -0.34 -4.38 119.36 115.99 1r2u n ILE 28 Ca -0.06 -2.01 -0.03 0.00 0.56 0.00 0.00 62.75 61.21 1r2u n ILE 28 Cb 0.98 -1.13 0.04 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 1.48 0.00 -0.11 0.38 3.07 -1.34 -3.37 115.11 115.22 1r2u h GLN 29 Ca 0.43 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.99 1r2u h GLN 29 Cb 1.18 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.45 1r2u h GLN 29 CO 1.04 0.76 -0.75 -3.47 0.09 0.00 0.00 178.83 176.50 1r2u n ASP 30 N -3.55 0.25 -4.79 0.06 2.03 -1.26 -5.12 116.55 104.17 1r2u n ASP 30 Ca -0.00 -2.04 -0.34 0.00 0.52 0.00 0.00 54.79 52.92 1r2u n ASP 30 Cb 0.76 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.97 2.79 -0.07 -1.67 0.00 -1.26 -4.98 121.76 115.60 1r2u s ALA 31 Ca 0.20 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 1r2u s ALA 31 Cb 0.29 -3.28 -0.30 0.00 0.00 0.00 0.00 23.12 19.84 1r2u s ALA 31 CO -0.09 -0.55 0.84 0.93 0.00 0.00 0.00 175.76 176.89 1r2u h GLU 32 N 1.19 0.24 0.06 0.00 4.39 -1.97 -3.37 114.58 115.12 1r2u h GLU 32 Ca -0.49 -0.41 -0.33 0.00 0.34 0.00 0.00 59.36 58.47 1r2u h GLU 32 Cb 1.23 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 1r2u h GLU 32 CO 0.58 1.20 -1.83 -0.44 -1.16 0.00 0.00 179.01 177.36 1r2u h ASP 33 N -0.48 0.21 0.00 1.42 5.19 -2.02 -3.49 116.42 117.25 1r2u h ASP 33 Ca -0.13 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1r2u h ASP 33 Cb 1.54 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1r2u h ASP 33 CO 0.12 1.42 0.00 0.61 -3.12 0.00 0.00 179.24 178.27 1r2u n GLY 34 N 1.76 0.83 3.74 2.75 0.00 -1.26 -5.13 105.19 107.89 1r2u n GLY 34 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.89 1.84 0.26 0.00 -5.25 -0.70 -4.85 121.20 108.61 1r2u s ILE 36 Ca 0.16 -1.17 -0.02 0.00 -0.99 0.00 0.00 60.65 58.62 1r2u s ILE 36 Cb -0.04 -2.01 -0.05 0.00 2.95 0.00 0.00 42.46 43.31 1r2u s ILE 36 CO 0.08 0.00 0.49 -0.55 -1.79 0.00 0.00 174.94 173.17 1r2u s SER 37 N -4.58 6.40 0.14 4.36 0.15 -1.26 -0.09 113.70 118.82 1r2u s SER 37 Ca 0.52 0.55 -0.16 0.00 0.70 0.00 0.00 55.95 57.56 1r2u s SER 37 Cb -0.04 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1r2u s SER 37 CO 0.33 -0.15 1.71 0.71 1.20 0.00 0.00 173.24 177.04 1r2u h THR 38 N 1.35 1.17 0.00 6.45 1.35 -1.90 -2.23 112.91 119.10 1r2u h THR 38 Ca -0.48 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 64.85 1r2u h THR 38 Cb 1.19 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1r2u h THR 38 CO 0.66 0.19 -0.13 0.07 -0.25 0.00 0.00 175.52 176.06 1r2u h LYS 39 N 0.49 0.00 0.00 4.72 2.10 -1.95 -2.56 116.57 119.37 1r2u h LYS 39 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1r2u h LYS 39 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1r2u h LYS 39 CO -0.02 0.13 0.00 0.39 -2.00 0.00 0.00 179.45 177.96 1r2u n GLU 40 N -3.34 0.41 -0.08 0.07 1.02 -0.85 -3.68 120.64 114.19 1r2u n GLU 40 Ca -0.00 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 1r2u n GLU 40 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.00 0.35 -2.52 -4.62 6.46 -1.32 -1.84 115.31 111.82 1r2u h LEU 41 Ca 0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1r2u h LEU 41 Cb 0.26 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1r2u h LEU 41 CO 0.00 0.38 0.00 1.23 -0.62 0.00 0.00 178.44 179.43 1r2u h GLY 42 N 0.29 0.00 1.21 3.75 0.00 -1.79 -1.53 103.07 105.01 1r2u h GLY 42 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.12 1r2u h GLY 42 CO -0.01 0.00 -1.55 1.70 0.00 0.00 0.00 176.54 176.68 1r2u h LYS 43 N 0.00 0.17 0.00 4.80 3.64 -1.56 -3.35 116.57 120.27 1r2u h LYS 43 Ca 0.00 -0.29 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1r2u h LYS 43 Cb 0.06 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1r2u h LYS 43 CO 0.00 0.97 -0.83 -0.39 -2.27 0.00 0.00 179.45 176.94 1r2u h VAL 44 N 0.05 1.54 -0.10 2.00 -1.51 -0.68 -3.18 116.25 114.36 1r2u h VAL 44 Ca -0.24 -2.89 0.03 0.00 -1.23 0.00 0.00 66.70 62.37 1r2u h VAL 44 Cb 1.99 2.58 -0.00 0.00 -2.13 0.00 0.00 31.29 33.73 1r2u h VAL 44 CO 0.13 0.81 0.08 0.24 -1.23 0.00 0.00 177.57 177.60 1r2u h MET 45 N 0.00 0.00 -0.71 5.19 2.86 -1.45 -1.19 114.93 119.63 1r2u h MET 45 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1r2u h MET 45 Cb 1.52 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.15 1r2u h MET 45 CO 0.11 0.00 0.20 0.00 1.06 0.00 0.00 176.91 178.28 1r2u h ARG 46 N 0.00 1.11 -0.23 1.72 3.08 -1.58 0.30 114.38 118.77 1r2u h ARG 46 Ca 0.05 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 1r2u h ARG 46 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1r2u h ARG 46 CO -0.00 0.96 -0.33 0.52 -1.07 0.00 0.00 179.97 180.04 1r2u h MET 47 N 1.06 0.49 0.02 0.04 2.86 -1.37 -3.34 114.93 114.68 1r2u h MET 47 Ca 0.23 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 47 Cb 0.33 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1r2u h MET 47 CO -0.00 0.76 -0.01 -0.07 1.06 0.00 0.00 176.91 178.65 1r2u h LEU 48 N 0.42 -0.02 0.00 1.22 3.38 -1.12 -3.49 115.31 115.70 1r2u h LEU 48 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r2u h LEU 48 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1r2u h LEU 48 CO 0.06 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1r2u n GLY 49 N 1.79 -0.74 3.24 0.83 0.00 0.79 -5.11 105.19 106.00 1r2u n GLY 49 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.74 -0.48 1.61 -0.21 0.30 -5.02 119.66 116.61 1r2u s GLN 50 Ca 0.00 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.07 1r2u s GLN 50 Cb 0.00 0.32 0.20 0.00 1.00 0.00 0.00 33.01 34.54 1r2u s GLN 50 CO 0.00 -0.22 0.67 -1.71 -2.12 0.00 0.00 175.29 171.90 1r2u n ASN 51 N 0.89 -2.36 -2.17 5.90 5.15 -1.26 -3.49 115.26 117.93 1r2u n ASN 51 Ca -0.20 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 1r2u n ASN 51 Cb 0.58 1.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.89 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 2.45 0.60 -3.21 1.20 -0.04 -1.26 -5.11 135.00 129.63 1r2u n PRO 52 Ca 0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.45 1r2u n PRO 52 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.28 2.59 0.22 0.52 -4.23 -1.26 -4.93 115.64 108.26 1r2u s THR 53 Ca 0.00 -1.12 0.15 0.00 -1.18 0.00 0.00 61.69 59.54 1r2u s THR 53 Cb 0.00 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.19 1r2u s THR 53 CO 0.00 0.00 1.67 1.55 -0.54 0.00 0.00 174.62 177.30 1r2u h PRO 54 N 0.62 0.00 0.16 3.99 0.13 -1.99 -1.13 132.00 133.78 1r2u h PRO 54 Ca -0.37 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.43 1r2u h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r2u h PRO 54 CO 0.48 0.49 -1.58 0.93 -0.23 0.00 0.00 178.00 178.09 1r2u h GLU 55 N 0.00 0.34 0.02 0.86 5.08 -1.99 -3.03 114.58 115.85 1r2u h GLU 55 Ca -0.00 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1r2u h GLU 55 Cb 0.99 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1r2u h GLU 55 CO 0.06 1.23 -0.01 1.49 -1.00 0.00 0.00 179.01 180.79 1r2u h GLU 56 N 0.09 -0.02 -0.69 2.33 4.57 -1.95 -3.02 114.58 115.89 1r2u h GLU 56 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1r2u h GLU 56 Cb 2.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.62 1r2u h GLU 56 CO 0.19 0.47 0.45 1.25 -1.18 0.00 0.00 179.01 180.18 1r2u h LEU 57 N -0.52 0.80 -0.79 1.64 6.46 -1.37 -2.25 115.31 119.29 1r2u h LEU 57 Ca -0.00 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1r2u h LEU 57 Cb 0.50 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.17 1r2u h LEU 57 CO 0.00 0.59 0.48 -0.61 -0.62 0.00 0.00 178.44 178.28 1r2u h GLN 58 N 0.94 0.85 -0.74 1.25 5.75 -1.52 -1.00 115.11 120.65 1r2u h GLN 58 Ca 0.25 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1r2u h GLN 58 Cb -0.09 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.23 1r2u h GLN 58 CO -0.05 0.56 0.42 0.93 -2.65 0.00 0.00 178.83 178.04 1r2u h GLU 59 N 0.88 1.02 -0.42 1.69 5.08 -1.28 -2.31 114.58 119.23 1r2u h GLU 59 Ca 0.34 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1r2u h GLU 59 Cb 0.16 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1r2u h GLU 59 CO -0.17 0.75 0.19 0.52 -1.00 0.00 0.00 179.01 179.30 1r2u h MET 60 N 1.01 0.62 0.06 2.33 2.86 -1.16 -1.49 114.93 119.16 1r2u h MET 60 Ca 0.26 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1r2u h MET 60 Cb 0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1r2u h MET 60 CO -0.04 0.55 -0.05 0.82 1.06 0.00 0.00 176.91 179.25 1r2u h ILE 61 N 0.54 0.00 -0.97 -1.22 2.04 -0.91 -1.04 117.51 115.96 1r2u h ILE 61 Ca 0.14 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.24 1r2u h ILE 61 Cb 0.15 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.16 1r2u h ILE 61 CO -0.02 0.00 0.64 -0.78 0.00 0.00 0.00 178.15 178.00 1r2u h ASP 62 N -0.11 0.36 0.35 1.72 3.58 -1.49 0.17 116.42 121.00 1r2u h ASP 62 Ca -0.01 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1r2u h ASP 62 Cb 0.09 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1r2u h ASP 62 CO -0.00 0.11 -0.17 -0.33 -2.88 0.00 0.00 179.24 175.97 1r2u h GLU 63 N 0.34 -0.45 0.00 0.28 5.08 -1.01 -2.93 114.58 115.88 1r2u h GLU 63 Ca 0.51 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1r2u h GLU 63 Cb 1.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1r2u h GLU 63 CO -0.19 -0.21 0.00 -0.39 -1.00 0.00 0.00 179.01 177.22 1r2u h VAL 64 N -0.63 0.00 -0.66 3.13 -1.51 -0.28 -3.41 116.25 112.90 1r2u h VAL 64 Ca -0.05 -0.58 -0.26 0.00 -1.23 0.00 0.00 66.70 64.59 1r2u h VAL 64 Cb 0.45 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.12 1r2u h VAL 64 CO 0.08 0.00 0.66 -0.62 -1.23 0.00 0.00 177.57 176.46 1r2u s ASP 65 N -5.61 4.98 0.16 4.19 -1.08 0.51 -4.68 116.67 115.14 1r2u s ASP 65 Ca 0.03 -0.65 -0.07 0.00 -0.52 0.00 0.00 52.55 51.34 1r2u s ASP 65 Cb 0.08 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 1r2u s ASP 65 CO 0.55 -2.91 1.47 -0.33 0.52 0.00 0.00 175.17 174.47 1r2u h GLU 66 N 11.36 0.70 0.17 4.34 4.39 -1.84 -3.30 114.58 130.41 1r2u h GLU 66 Ca 0.09 -0.44 -0.29 0.00 0.34 0.00 0.00 59.36 59.06 1r2u h GLU 66 Cb 1.00 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1r2u h GLU 66 CO 1.19 1.06 -1.40 0.38 -1.16 0.00 0.00 179.01 179.08 1r2u h ASP 67 N 0.54 0.57 -2.29 1.42 2.03 -1.97 -3.49 116.42 113.24 1r2u h ASP 67 Ca 0.01 -0.91 -0.05 0.00 -0.73 0.00 0.00 57.03 55.34 1r2u h ASP 67 Cb 1.11 -0.19 0.02 0.00 -0.83 0.00 0.00 39.33 39.45 1r2u h ASP 67 CO 0.11 1.64 -0.11 0.61 -1.03 0.00 0.00 179.24 180.46 1r2u n GLY 68 N 1.76 0.45 0.12 7.15 0.00 -1.25 -5.01 105.19 108.42 1r2u n GLY 68 Ca -0.21 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.62 1.92 0.00 1.61 3.41 -1.26 -5.03 113.62 113.65 1r2u n SER 69 Ca -0.03 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1r2u n SER 69 Cb 0.52 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.43 0.87 3.71 5.00 0.00 -1.26 -5.14 105.19 109.80 1r2u n GLY 70 Ca -0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 4.12 -0.30 2.61 -4.23 -1.26 -3.15 115.64 113.43 1r2u s THR 71 Ca 0.00 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.36 1r2u s THR 71 Cb 0.00 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1r2u s THR 71 CO 0.00 0.05 0.19 -0.69 -0.54 0.00 0.00 174.62 173.63 1r2u s VAL 72 N -1.46 5.16 0.86 2.29 1.01 0.87 -4.90 120.40 124.23 1r2u s VAL 72 Ca 0.27 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1r2u s VAL 72 Cb -0.11 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 32.91 1r2u s VAL 72 CO 0.20 0.17 1.19 -1.81 0.00 0.00 0.00 175.10 174.84 1r2u s ASP 73 N 1.72 3.65 0.35 3.32 1.01 -1.26 -1.73 116.67 123.74 1r2u s ASP 73 Ca 0.06 0.03 0.07 0.00 0.71 0.00 0.00 52.55 53.42 1r2u s ASP 73 Cb -0.16 -0.22 0.66 0.00 1.01 0.00 0.00 42.92 44.21 1r2u s ASP 73 CO 0.10 -2.36 1.87 0.15 0.21 0.00 0.00 175.17 175.13 1r2u h PHE 74 N -1.18 0.39 -0.32 4.23 3.57 -1.98 0.13 116.94 121.78 1r2u h PHE 74 Ca -0.41 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 60.92 1r2u h PHE 74 Cb 1.25 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1r2u h PHE 74 CO -0.73 0.48 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.13 1r2u h ASP 75 N 0.35 0.79 0.94 0.41 5.19 -1.99 -0.96 116.42 121.14 1r2u h ASP 75 Ca 0.07 -0.45 -0.07 0.00 -0.62 0.00 0.00 57.03 55.96 1r2u h ASP 75 Cb 0.42 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1r2u h ASP 75 CO 0.02 1.07 -0.33 -0.33 -3.12 0.00 0.00 179.24 176.56 1r2u h GLU 76 N 0.51 0.00 -0.01 3.56 5.08 -1.76 -2.06 114.58 119.91 1r2u h GLU 76 Ca 0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1r2u h GLU 76 Cb 0.83 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.10 1r2u h GLU 76 CO 0.07 0.33 -1.02 0.35 -1.00 0.00 0.00 179.01 177.74 1r2u h PHE 77 N 0.00 0.98 0.13 4.33 3.57 -0.52 -3.21 116.94 122.22 1r2u h PHE 77 Ca -0.00 -0.53 -0.30 0.00 3.53 0.00 0.00 57.97 60.66 1r2u h PHE 77 Cb 0.89 -0.11 0.03 0.00 2.79 0.00 0.00 35.95 39.54 1r2u h PHE 77 CO 0.00 1.36 -1.26 -0.07 -2.23 0.00 0.00 178.31 176.11 1r2u h LEU 78 N 0.38 0.87 -2.31 0.59 3.38 -1.12 -3.26 115.31 113.84 1r2u h LEU 78 Ca -0.12 -0.81 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 1r2u h LEU 78 Cb 1.67 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1r2u h LEU 78 CO 0.20 1.61 -0.02 -0.37 0.09 0.00 0.00 178.44 179.95 1r2u h VAL 79 N 0.27 0.64 -1.14 1.22 -1.51 -1.49 -2.61 116.25 111.63 1r2u h VAL 79 Ca -0.19 -0.07 0.35 0.00 -1.23 0.00 0.00 66.70 65.56 1r2u h VAL 79 Cb 1.93 1.04 -0.12 0.00 -2.13 0.00 0.00 31.29 32.01 1r2u h VAL 79 CO 0.24 0.02 0.71 0.24 -1.23 0.00 0.00 177.57 177.55 1r2u h MET 80 N 0.00 0.25 0.33 5.19 2.86 -1.59 0.61 114.93 122.58 1r2u h MET 80 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1r2u h MET 80 Cb 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1r2u h MET 80 CO 0.00 0.16 -0.16 0.52 1.06 0.00 0.00 176.91 178.50 1r2u h MET 81 N 0.26 -0.42 -0.32 1.72 2.86 -1.70 -3.15 114.93 114.18 1r2u h MET 81 Ca 0.72 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.39 1r2u h MET 81 Cb 1.96 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.70 1r2u h MET 81 CO -0.43 -0.19 0.21 -0.39 1.06 0.00 0.00 176.91 177.17 1r2u h VAL 82 N -1.06 1.08 0.00 -2.22 -1.51 -1.46 -1.50 116.25 109.58 1r2u h VAL 82 Ca -0.05 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 1r2u h VAL 82 Cb 0.43 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1r2u h VAL 82 CO 0.07 0.08 -0.10 0.03 -1.23 0.00 0.00 177.57 176.42 1r2u h ARG 83 N 0.43 0.00 -0.03 5.19 2.47 0.12 -1.65 114.38 120.91 1r2u h ARG 83 Ca 0.12 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.74 1r2u h ARG 83 Cb -0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1r2u h ARG 83 CO -0.03 0.10 -0.45 0.00 0.56 0.00 0.00 179.97 180.16 1r2u h MET 85 N 0.05 -0.21 -3.25 0.00 2.86 -1.32 -3.49 114.93 109.57 1r2u h MET 85 Ca 0.00 0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.05 1r2u h MET 85 Cb 0.82 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.43 1r2u h MET 85 CO 0.06 -0.14 -0.53 1.63 1.06 0.00 0.00 176.91 178.99 1r2u n LYS 86 N -2.75 -2.94 -3.74 1.72 4.76 -1.19 -4.76 118.16 109.26 1r2u n LYS 86 Ca -0.03 1.94 -0.30 0.00 -2.87 0.00 0.00 58.31 57.05 1r2u n LYS 86 Cb 0.09 -3.58 -0.14 0.00 -1.84 0.00 0.00 35.03 29.55 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r2u s ASP 87 N -7.20 3.91 -0.60 4.39 1.11 -1.26 -5.02 116.67 112.00 1r2u s ASP 87 Ca 0.00 -2.14 -0.26 0.00 0.18 0.00 0.00 52.55 50.32 1r2u s ASP 87 Cb 0.00 -1.00 0.04 0.00 1.07 0.00 0.00 42.92 43.02 1r2u s ASP 87 CO 0.00 -0.34 1.11 -1.81 1.18 0.00 0.00 175.17 175.31 1r2u s ASP 88 N 0.97 6.36 0.00 0.27 1.01 -1.26 -5.21 116.67 118.80 1r2u s ASP 88 Ca 0.14 -0.18 0.08 0.00 0.71 0.00 0.00 52.55 53.29 1r2u s ASP 88 Cb -0.21 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.27 1r2u s ASP 88 CO -0.11 -1.44 0.74 -1.54 0.21 0.00 0.00 175.17 173.02