#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 6.77 -0.01 7.83 -0.87 -1.26 -4.83 114.94 122.57 1r2u s ASN 2 Ca 0.00 0.85 0.02 0.00 -1.57 0.00 0.00 52.86 52.16 1r2u s ASN 2 Cb 0.00 -2.55 0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1r2u s ASN 2 CO 0.00 -1.06 0.79 0.47 -2.57 0.00 0.00 177.10 174.73 1r2u n ASP 3 N 7.39 0.89 0.07 -1.22 8.00 -1.26 -4.75 116.55 125.68 1r2u n ASP 3 Ca 0.13 -1.66 0.01 0.00 0.71 0.00 0.00 54.79 53.97 1r2u n ASP 3 Cb 0.48 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 2.20 0.66 -0.10 0.53 -0.00 -1.88 -3.11 117.51 115.82 1r2u h ILE 4 Ca 0.00 -2.12 -0.07 0.00 -0.00 0.00 0.00 64.86 62.67 1r2u h ILE 4 Cb 0.88 2.19 -0.01 0.00 -0.00 0.00 0.00 36.82 39.88 1r2u h ILE 4 CO 0.00 0.38 -0.24 1.88 -0.00 0.00 0.00 178.15 180.17 1r2u h TYR 5 N 0.00 0.19 0.17 0.16 0.05 -1.86 0.28 116.97 115.96 1r2u h TYR 5 Ca -0.10 -0.03 -0.30 0.00 0.05 0.00 0.00 58.73 58.34 1r2u h TYR 5 Cb 1.52 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 39.24 1r2u h TYR 5 CO 0.00 0.41 -1.31 0.87 -1.05 0.00 0.00 178.16 177.08 1r2u h LYS 6 N 0.17 0.45 0.00 4.88 1.79 -1.90 -1.35 116.57 120.61 1r2u h LYS 6 Ca 0.03 -0.71 -0.12 0.00 -2.18 0.00 0.00 60.65 57.67 1r2u h LYS 6 Cb 0.52 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 1r2u h LYS 6 CO 0.04 1.33 -0.59 0.00 -1.08 0.00 0.00 179.45 179.15 1r2u h ALA 7 N 0.38 1.01 0.00 3.86 0.00 -1.41 -3.12 119.26 119.98 1r2u h ALA 7 Ca -0.19 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 1r2u h ALA 7 Cb 2.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1r2u h ALA 7 CO 0.24 0.73 -1.01 0.00 0.00 0.00 0.00 179.25 179.21 1r2u h ALA 8 N 1.41 0.65 -0.33 0.00 0.00 -0.48 -3.34 119.26 117.17 1r2u h ALA 8 Ca -0.01 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.40 1r2u h ALA 8 Cb 1.05 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1r2u h ALA 8 CO 0.08 0.66 0.23 -0.24 0.00 0.00 0.00 179.25 179.98 1r2u h VAL 9 N 0.00 0.91 0.00 0.00 3.04 -1.17 0.30 116.25 119.33 1r2u h VAL 9 Ca -0.08 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.51 1r2u h VAL 9 Cb 1.41 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1r2u h VAL 9 CO 0.04 0.03 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.11 1r2u h GLU 10 N 0.16 0.00 0.22 4.17 5.08 -1.68 -2.97 114.58 119.55 1r2u h GLU 10 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.19 1r2u h GLU 10 Cb 0.41 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.69 1r2u h GLU 10 CO -0.02 0.19 -1.41 1.96 -1.00 0.00 0.00 179.01 178.73 1r2u h GLN 11 N 0.00 0.55 -7.73 2.33 1.08 -1.15 -3.46 115.11 106.73 1r2u h GLN 11 Ca -0.00 -0.88 -0.44 0.00 -1.45 0.00 0.00 58.65 55.87 1r2u h GLN 11 Cb 0.58 0.32 0.16 0.00 -0.05 0.00 0.00 27.48 28.50 1r2u h GLN 11 CO 0.02 1.42 0.37 -0.51 -0.95 0.00 0.00 178.83 179.18 1r2u s LEU 12 N -7.64 2.31 0.34 1.46 1.43 -1.05 -5.10 118.68 110.44 1r2u s LEU 12 Ca -0.09 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1r2u s LEU 12 Cb 0.05 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 1r2u s LEU 12 CO 0.94 -2.95 -0.02 0.42 0.23 0.00 0.00 176.35 174.98 1r2u s THR 13 N -3.69 1.78 0.41 5.49 -4.23 -1.26 -4.97 115.64 109.17 1r2u s THR 13 Ca 0.73 -2.07 0.12 0.00 -1.18 0.00 0.00 61.69 59.28 1r2u s THR 13 Cb -0.06 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.21 1r2u s THR 13 CO 0.53 -0.12 1.95 -0.78 -0.54 0.00 0.00 174.62 175.66 1r2u h ASP 14 N 2.03 0.12 -0.95 3.99 3.58 -1.99 -2.52 116.42 120.68 1r2u h ASP 14 Ca -0.42 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.05 1r2u h ASP 14 Cb 1.24 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 1r2u h ASP 14 CO 0.73 0.29 0.62 -0.33 -2.88 0.00 0.00 179.24 177.67 1r2u h GLU 15 N 0.12 1.13 -0.49 0.28 5.08 -1.98 -0.06 114.58 118.66 1r2u h GLU 15 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1r2u h GLU 15 Cb 0.35 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1r2u h GLU 15 CO 0.02 0.75 0.26 -0.56 -1.00 0.00 0.00 179.01 178.49 1r2u h GLN 16 N 1.17 0.67 -0.04 2.33 -0.00 -1.86 0.18 115.11 117.56 1r2u h GLN 16 Ca 0.39 -0.07 -0.22 0.00 -0.00 0.00 0.00 58.65 58.75 1r2u h GLN 16 Cb 0.07 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.41 1r2u h GLN 16 CO -0.13 0.50 -0.89 0.87 -0.00 0.00 0.00 178.83 179.18 1r2u h LYS 17 N 0.68 0.49 -0.70 0.06 6.56 -1.31 -1.08 116.57 121.26 1r2u h LYS 17 Ca 0.18 -0.48 -0.02 0.00 -1.06 0.00 0.00 60.65 59.27 1r2u h LYS 17 Cb 0.03 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.78 1r2u h LYS 17 CO -0.03 1.12 0.38 -0.91 -2.06 0.00 0.00 179.45 177.95 1r2u h ASN 18 N 0.30 0.89 -0.26 0.86 2.35 -0.20 0.12 115.58 119.63 1r2u h ASN 18 Ca -0.07 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.39 1r2u h ASN 18 Cb 1.51 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1r2u h ASN 18 CO 0.16 0.74 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.79 1r2u h GLU 19 N 0.97 0.86 -0.67 0.81 4.39 -0.98 -2.45 114.58 117.51 1r2u h GLU 19 Ca 0.25 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1r2u h GLU 19 Cb 0.05 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1r2u h GLU 19 CO -0.04 1.18 0.38 0.74 -1.16 0.00 0.00 179.01 180.12 1r2u h PHE 20 N 0.66 0.90 -0.12 4.33 -1.00 -0.79 0.28 116.94 121.19 1r2u h PHE 20 Ca 0.01 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1r2u h PHE 20 Cb 1.16 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1r2u h PHE 20 CO 0.07 0.63 0.03 -0.22 -1.61 0.00 0.00 178.31 177.21 1r2u h LYS 21 N 0.91 0.20 -0.52 1.51 3.11 -0.73 0.56 116.57 121.60 1r2u h LYS 21 Ca 0.24 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1r2u h LYS 21 Cb 0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.18 1r2u h LYS 21 CO -0.04 0.35 0.32 0.00 -2.81 0.00 0.00 179.45 177.27 1r2u h ALA 22 N 0.84 0.67 0.00 5.00 0.00 -1.21 0.69 119.26 125.24 1r2u h ALA 22 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1r2u h ALA 22 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r2u h ALA 22 CO -0.00 0.14 -0.12 0.00 0.00 0.00 0.00 179.25 179.28 1r2u h ALA 23 N 1.16 1.67 0.00 0.00 0.00 -0.28 -1.48 119.26 120.33 1r2u h ALA 23 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1r2u h ALA 23 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r2u h ALA 23 CO -0.04 0.14 -0.15 0.35 0.00 0.00 0.00 179.25 179.56 1r2u h PHE 24 N 0.00 0.00 -0.91 0.00 3.57 0.24 -3.34 116.94 116.50 1r2u h PHE 24 Ca -0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1r2u h PHE 24 Cb 0.22 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.86 1r2u h PHE 24 CO 0.00 0.39 0.48 0.22 -2.23 0.00 0.00 178.31 177.17 1r2u h ASP 25 N -1.00 0.56 -0.85 0.41 3.58 0.42 0.65 116.42 120.20 1r2u h ASP 25 Ca -0.02 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1r2u h ASP 25 Cb 0.44 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1r2u h ASP 25 CO -0.01 0.18 0.55 0.16 -2.88 0.00 0.00 179.24 177.24 1r2u h ILE 26 N 0.61 0.99 0.01 2.25 3.07 -1.43 -0.81 117.51 122.20 1r2u h ILE 26 Ca 0.52 -0.30 -0.22 0.00 1.55 0.00 0.00 64.86 66.42 1r2u h ILE 26 Cb 0.84 0.06 -0.03 0.00 -0.27 0.00 0.00 36.82 37.42 1r2u h ILE 26 CO -0.41 0.16 -1.09 -0.26 -1.05 0.00 0.00 178.15 175.50 1r2u h PHE 27 N 0.86 0.05 -0.70 0.16 -1.00 -1.15 -3.27 116.94 111.89 1r2u h PHE 27 Ca 0.38 -0.04 -0.42 0.00 2.81 0.00 0.00 57.97 60.70 1r2u h PHE 27 Cb 0.35 -0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.70 1r2u h PHE 27 CO -0.00 1.03 0.54 -0.89 -1.61 0.00 0.00 178.31 177.38 1r2u n ILE 28 N -3.34 2.85 0.06 -0.55 2.08 0.03 -4.43 119.36 116.05 1r2u n ILE 28 Ca -0.02 -1.77 -0.02 0.00 0.56 0.00 0.00 62.75 61.49 1r2u n ILE 28 Cb 0.96 -0.94 0.22 0.00 -0.75 0.00 0.00 39.64 39.14 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 1.19 0.35 -0.14 0.38 3.07 -1.36 -3.37 115.11 115.24 1r2u h GLN 29 Ca 0.44 -0.14 -0.21 0.00 0.09 0.00 0.00 58.65 58.83 1r2u h GLN 29 Cb 1.61 -0.02 -0.20 0.00 0.08 0.00 0.00 27.48 28.95 1r2u h GLN 29 CO 0.95 0.64 -0.49 -3.47 0.09 0.00 0.00 178.83 176.55 1r2u n ASP 30 N -4.09 -0.95 -4.78 0.06 -0.08 -1.26 -5.13 116.55 100.32 1r2u n ASP 30 Ca -0.01 -2.31 -0.34 0.00 -1.51 0.00 0.00 54.79 50.62 1r2u n ASP 30 Cb 0.43 0.53 0.02 0.00 2.34 0.00 0.00 41.12 44.44 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r2u s ALA 31 N -0.65 2.63 -0.01 -1.67 0.00 -1.26 -4.98 121.76 115.84 1r2u s ALA 31 Ca 0.17 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 1r2u s ALA 31 Cb 0.42 -3.33 -0.20 0.00 0.00 0.00 0.00 23.12 20.01 1r2u s ALA 31 CO -0.09 -0.91 1.34 0.93 0.00 0.00 0.00 175.76 177.02 1r2u h GLU 32 N 0.78 0.00 0.00 0.00 5.08 -1.97 -3.35 114.58 115.12 1r2u h GLU 32 Ca -0.49 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.56 1r2u h GLU 32 Cb 1.25 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1r2u h GLU 32 CO 0.56 0.42 -2.19 -0.40 -1.00 0.00 0.00 179.01 176.40 1r2u n ASP 33 N -4.89 0.19 0.00 1.42 5.75 -1.26 -5.01 116.55 112.76 1r2u n ASP 33 Ca -0.08 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1r2u n ASP 33 Cb 0.22 0.86 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 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 1.66 1.60 3.44 6.12 0.00 -1.26 -5.14 105.19 111.61 1r2u n GLY 34 Ca -0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.06 2.12 0.00 0.00 -5.25 -0.94 -4.80 121.20 109.27 1r2u s ILE 36 Ca 0.33 -1.21 -0.17 0.00 -0.99 0.00 0.00 60.65 58.61 1r2u s ILE 36 Cb 0.00 -2.33 -0.06 0.00 2.95 0.00 0.00 42.46 43.02 1r2u s ILE 36 CO 0.23 0.00 0.47 -0.55 -1.79 0.00 0.00 174.94 173.30 1r2u s SER 37 N -4.44 6.87 0.29 4.36 0.15 -1.26 -0.55 113.70 119.12 1r2u s SER 37 Ca 0.50 1.04 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1r2u s SER 37 Cb -0.05 -2.29 0.51 0.00 -1.71 0.00 0.00 66.02 62.48 1r2u s SER 37 CO 0.31 0.26 1.88 0.71 1.20 0.00 0.00 173.24 177.60 1r2u h THR 38 N 3.81 1.03 0.00 6.45 1.35 -1.88 0.06 112.91 123.73 1r2u h THR 38 Ca -0.49 -0.36 -0.08 0.00 -0.55 0.00 0.00 66.41 64.92 1r2u h THR 38 Cb 1.21 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1r2u h THR 38 CO 0.64 0.19 -0.38 0.11 -0.25 0.00 0.00 175.52 175.84 1r2u h LYS 39 N 1.06 0.00 -0.54 4.72 6.56 -1.93 -2.53 116.57 123.90 1r2u h LYS 39 Ca 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 1r2u h LYS 39 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1r2u h LYS 39 CO -0.18 0.38 0.00 0.39 -2.06 0.00 0.00 179.45 177.98 1r2u n GLU 40 N -3.90 2.46 0.11 3.15 1.02 -0.07 -4.12 120.64 119.29 1r2u n GLU 40 Ca -0.01 -1.83 -0.03 0.00 -0.02 0.00 0.00 57.16 55.27 1r2u n GLU 40 Cb 0.44 -1.52 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 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 2.80 0.00 -0.88 -4.62 5.85 -0.89 -3.04 115.31 114.53 1r2u h LEU 41 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1r2u h LEU 41 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1r2u h LEU 41 CO 0.08 0.74 0.00 1.23 -0.34 0.00 0.00 178.44 180.15 1r2u h GLY 42 N 2.57 0.00 1.21 3.75 0.00 -1.77 -3.14 103.07 105.69 1r2u h GLY 42 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1r2u h GLY 42 CO 0.10 0.00 -1.56 0.50 0.00 0.00 0.00 176.54 175.58 1r2u h LYS 43 N 0.00 0.15 -0.23 4.80 1.79 -1.80 -3.32 116.57 117.96 1r2u h LYS 43 Ca 0.00 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.09 1r2u h LYS 43 Cb 0.63 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1r2u h LYS 43 CO 0.00 0.95 -0.37 -0.39 -1.08 0.00 0.00 179.45 178.55 1r2u h VAL 44 N 0.04 1.30 -0.33 0.50 -1.51 -1.49 -2.88 116.25 111.88 1r2u h VAL 44 Ca -0.24 -1.51 -0.06 0.00 -1.23 0.00 0.00 66.70 63.66 1r2u h VAL 44 Cb 1.98 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 32.65 1r2u h VAL 44 CO 0.13 0.47 -0.06 0.24 -1.23 0.00 0.00 177.57 177.12 1r2u h MET 45 N 0.43 0.54 -0.74 5.19 2.86 -1.69 -2.00 114.93 119.51 1r2u h MET 45 Ca 0.04 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1r2u h MET 45 Cb 0.85 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1r2u h MET 45 CO 0.07 0.60 0.30 0.00 1.06 0.00 0.00 176.91 178.95 1r2u h ARG 46 N 0.50 1.09 -0.23 1.72 3.08 -1.61 -0.47 114.38 118.47 1r2u h ARG 46 Ca 0.10 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 1r2u h ARG 46 Cb 0.42 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1r2u h ARG 46 CO 0.02 0.88 -0.41 0.52 -1.07 0.00 0.00 179.97 179.91 1r2u h MET 47 N 1.07 0.55 0.34 0.04 2.86 -1.33 -3.26 114.93 115.20 1r2u h MET 47 Ca 0.25 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 47 Cb 0.19 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 47 CO -0.02 0.87 -0.16 1.25 1.06 0.00 0.00 176.91 179.90 1r2u h LEU 48 N 0.46 -0.39 0.00 1.22 7.12 -0.90 -3.47 115.31 119.35 1r2u h LEU 48 Ca 0.04 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1r2u h LEU 48 Cb 0.91 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1r2u h LEU 48 CO 0.08 -0.01 0.00 0.61 -0.13 0.00 0.00 178.44 178.99 1r2u n GLY 49 N -0.30 -0.84 3.37 3.75 0.00 -0.29 -5.11 105.19 105.78 1r2u n GLY 49 Ca -0.10 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 1.18 -0.46 1.61 -0.21 -0.60 -4.99 119.66 116.19 1r2u s GLN 50 Ca 0.00 -1.10 0.07 0.00 0.02 0.00 0.00 55.36 54.35 1r2u s GLN 50 Cb 0.00 0.40 0.23 0.00 1.00 0.00 0.00 33.01 34.65 1r2u s GLN 50 CO 0.00 -0.45 0.73 -1.71 -2.12 0.00 0.00 175.29 171.75 1r2u n ASN 51 N -0.23 -1.98 -2.21 5.90 5.15 -1.26 -3.84 115.26 116.79 1r2u n ASN 51 Ca -0.08 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 1r2u n ASN 51 Cb 0.63 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.88 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 1.81 0.59 -3.71 1.20 -0.04 -1.26 -5.12 135.00 128.47 1r2u n PRO 52 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1r2u n PRO 52 Cb 0.58 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.32 2.23 0.16 0.52 -4.23 -1.26 -4.96 115.64 107.78 1r2u s THR 53 Ca 0.00 -1.42 0.16 0.00 -1.18 0.00 0.00 61.69 59.25 1r2u s THR 53 Cb 0.00 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.27 1r2u s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r2u h PRO 54 N 0.93 0.00 0.17 3.99 0.13 -1.99 -1.34 132.00 133.89 1r2u h PRO 54 Ca -0.39 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 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 0.58 0.47 -1.60 0.93 -0.23 0.00 0.00 178.00 178.14 1r2u h GLU 55 N 0.00 0.37 0.13 0.86 5.08 -1.99 -3.13 114.58 115.89 1r2u h GLU 55 Ca -0.00 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 57.72 1r2u h GLU 55 Cb 1.03 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1r2u h GLU 55 CO 0.06 1.27 -0.06 1.49 -1.00 0.00 0.00 179.01 180.77 1r2u h GLU 56 N 0.10 -0.16 0.00 2.33 4.57 -1.95 -2.72 114.58 116.74 1r2u h GLU 56 Ca -0.28 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1r2u h GLU 56 Cb 2.08 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.71 1r2u h GLU 56 CO 0.19 0.26 -0.06 1.37 -1.18 0.00 0.00 179.01 179.59 1r2u h LEU 57 N -0.65 0.00 -0.23 1.64 -0.00 -1.42 -2.08 115.31 112.58 1r2u h LEU 57 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.77 1r2u h LEU 57 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1r2u h LEU 57 CO 0.03 0.06 -0.21 -0.61 -0.00 0.00 0.00 178.44 177.70 1r2u h GLN 58 N 0.00 0.55 -0.30 0.17 5.75 -1.48 -2.83 115.11 116.96 1r2u h GLN 58 Ca -0.00 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 1r2u h GLN 58 Cb 0.16 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1r2u h GLN 58 CO 0.01 0.87 -0.05 0.93 -2.65 0.00 0.00 178.83 177.94 1r2u h GLU 59 N 0.25 0.48 -0.52 1.69 5.08 -1.07 -2.79 114.58 117.70 1r2u h GLU 59 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1r2u h GLU 59 Cb 0.76 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1r2u h GLU 59 CO 0.05 0.54 0.26 0.52 -1.00 0.00 0.00 179.01 179.39 1r2u h MET 60 N 0.46 0.74 0.03 2.33 2.86 -1.32 -1.68 114.93 118.34 1r2u h MET 60 Ca 0.09 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 60 Cb 0.37 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1r2u h MET 60 CO 0.02 0.59 -0.03 0.82 1.06 0.00 0.00 176.91 179.37 1r2u h ILE 61 N 0.69 0.00 -0.96 -1.22 2.04 -1.25 -0.14 117.51 116.68 1r2u h ILE 61 Ca 0.18 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.26 1r2u h ILE 61 Cb 0.09 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.09 1r2u h ILE 61 CO -0.03 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.19 1r2u h ASP 62 N -0.06 0.47 -0.25 1.72 5.19 -1.60 0.38 116.42 122.27 1r2u h ASP 62 Ca -0.00 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1r2u h ASP 62 Cb 0.05 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1r2u h ASP 62 CO -0.00 0.16 0.03 -0.33 -3.12 0.00 0.00 179.24 175.98 1r2u h GLU 63 N 0.46 0.42 0.00 3.56 4.39 -1.06 -3.14 114.58 119.20 1r2u h GLU 63 Ca 0.52 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 60.03 1r2u h GLU 63 Cb 1.22 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1r2u h GLU 63 CO -0.23 0.56 -0.43 -0.39 -1.16 0.00 0.00 179.01 177.35 1r2u h VAL 64 N 0.22 0.50 -0.83 3.13 -1.51 0.11 -3.42 116.25 114.46 1r2u h VAL 64 Ca 0.07 -1.73 -0.29 0.00 -1.23 0.00 0.00 66.70 63.53 1r2u h VAL 64 Cb 0.35 2.20 -0.04 0.00 -2.13 0.00 0.00 31.29 31.67 1r2u h VAL 64 CO 0.01 0.29 0.74 -0.62 -1.23 0.00 0.00 177.57 176.75 1r2u s ASP 65 N -6.26 5.02 0.16 4.19 -1.08 0.12 -4.67 116.67 114.14 1r2u s ASP 65 Ca 0.04 -0.47 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 1r2u s ASP 65 Cb 0.07 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1r2u s ASP 65 CO 0.73 -2.82 1.60 -0.33 0.52 0.00 0.00 175.17 174.86 1r2u h GLU 66 N 11.94 0.93 0.13 4.34 4.39 -1.84 -3.26 114.58 131.21 1r2u h GLU 66 Ca 0.04 -0.32 -0.32 0.00 0.34 0.00 0.00 59.36 59.11 1r2u h GLU 66 Cb 1.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1r2u h GLU 66 CO 1.19 0.97 -1.63 0.38 -1.16 0.00 0.00 179.01 178.76 1r2u h ASP 67 N 0.80 0.45 -3.70 1.42 3.04 -1.97 -3.49 116.42 112.97 1r2u h ASP 67 Ca 0.14 -0.66 -0.16 0.00 -3.24 0.00 0.00 57.03 53.12 1r2u h ASP 67 Cb 0.57 -0.15 0.08 0.00 -1.04 0.00 0.00 39.33 38.80 1r2u h ASP 67 CO 0.03 1.55 -0.36 0.61 -2.04 0.00 0.00 179.24 179.04 1r2u n GLY 68 N 1.74 0.07 0.09 7.15 0.00 -1.23 -4.99 105.19 108.01 1r2u n GLY 68 Ca -0.20 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.90 0.00 0.00 1.61 4.64 -1.94 -3.49 113.55 113.46 1r2u h SER 69 Ca -0.28 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1r2u h SER 69 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1r2u h SER 69 CO 0.23 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 1r2u n GLY 70 N 1.51 0.93 3.73 -0.77 0.00 -1.26 -5.14 105.19 104.19 1r2u n GLY 70 Ca -0.23 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 4.21 -0.24 2.61 -4.23 -1.26 -3.11 115.64 113.61 1r2u s THR 71 Ca 0.00 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1r2u s THR 71 Cb 0.00 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1r2u s THR 71 CO 0.00 0.04 0.42 -0.69 -0.54 0.00 0.00 174.62 173.85 1r2u s VAL 72 N -1.48 5.16 0.77 2.29 1.01 0.29 -4.88 120.40 123.55 1r2u s VAL 72 Ca 0.28 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1r2u s VAL 72 Cb -0.11 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.62 1r2u s VAL 72 CO 0.20 0.17 1.09 -1.81 0.00 0.00 0.00 175.10 174.76 1r2u s ASP 73 N 1.41 4.43 0.34 3.32 1.11 -1.26 -2.20 116.67 123.82 1r2u s ASP 73 Ca 0.18 0.40 0.04 0.00 0.18 0.00 0.00 52.55 53.36 1r2u s ASP 73 Cb -0.15 -0.90 0.62 0.00 1.07 0.00 0.00 42.92 43.56 1r2u s ASP 73 CO 0.09 -1.87 1.90 0.15 1.18 0.00 0.00 175.17 176.62 1r2u h PHE 74 N -0.85 0.56 -0.40 4.23 3.57 -1.98 0.23 116.94 122.31 1r2u h PHE 74 Ca -0.44 -0.05 -0.14 0.00 3.53 0.00 0.00 57.97 60.87 1r2u h PHE 74 Cb 1.30 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1r2u h PHE 74 CO 0.03 0.52 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.89 1r2u h ASP 75 N 0.53 0.93 1.26 0.41 5.19 -2.00 -1.18 116.42 121.57 1r2u h ASP 75 Ca 0.12 -0.39 -0.07 0.00 -0.62 0.00 0.00 57.03 56.07 1r2u h ASP 75 Cb 0.27 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1r2u h ASP 75 CO 0.00 1.16 -0.35 -0.33 -3.12 0.00 0.00 179.24 176.60 1r2u h GLU 76 N 0.75 0.00 0.03 3.56 5.08 -1.71 -2.37 114.58 119.92 1r2u h GLU 76 Ca 0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.20 1r2u h GLU 76 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 1r2u h GLU 76 CO 0.08 0.35 -1.01 0.35 -1.00 0.00 0.00 179.01 177.78 1r2u h PHE 77 N 0.00 0.65 0.24 4.33 3.57 -0.28 -3.21 116.94 122.25 1r2u h PHE 77 Ca -0.00 -0.37 -0.33 0.00 3.53 0.00 0.00 57.97 60.79 1r2u h PHE 77 Cb 1.08 -0.07 0.04 0.00 2.79 0.00 0.00 35.95 39.79 1r2u h PHE 77 CO 0.00 1.21 -1.46 -0.07 -2.23 0.00 0.00 178.31 175.76 1r2u h LEU 78 N 0.22 0.80 -2.14 0.59 3.38 -1.21 -3.29 115.31 113.66 1r2u h LEU 78 Ca -0.10 -0.92 0.02 0.00 0.09 0.00 0.00 57.88 56.97 1r2u h LEU 78 Cb 1.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1r2u h LEU 78 CO 0.18 1.70 0.07 -0.37 0.09 0.00 0.00 178.44 180.10 1r2u h VAL 79 N 0.10 0.79 -1.27 1.22 -1.51 -1.54 -2.63 116.25 111.40 1r2u h VAL 79 Ca -0.26 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.60 1r2u h VAL 79 Cb 2.12 0.95 -0.11 0.00 -2.13 0.00 0.00 31.29 32.13 1r2u h VAL 79 CO 0.26 0.00 0.84 0.24 -1.23 0.00 0.00 177.57 177.68 1r2u h MET 80 N 0.00 0.15 0.00 5.19 2.86 -1.62 0.81 114.93 122.32 1r2u h MET 80 Ca 0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1r2u h MET 80 Cb 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1r2u h MET 80 CO -0.00 0.10 -0.00 0.52 1.06 0.00 0.00 176.91 178.59 1r2u h MET 81 N 0.16 -0.00 -0.15 1.72 2.86 -1.71 -3.34 114.93 114.47 1r2u h MET 81 Ca 0.74 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.25 1r2u h MET 81 Cb 2.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.98 1r2u h MET 81 CO -0.31 0.95 -0.44 -0.39 1.06 0.00 0.00 176.91 177.78 1r2u h VAL 82 N -0.96 1.32 0.00 -2.22 -1.51 -1.31 -2.88 116.25 108.69 1r2u h VAL 82 Ca -0.00 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1r2u h VAL 82 Cb 0.95 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1r2u h VAL 82 CO 0.00 0.49 0.00 0.08 -1.23 0.00 0.00 177.57 176.91 1r2u h ARG 83 N 0.30 0.00 0.00 5.19 0.11 0.44 -0.17 114.38 120.25 1r2u h ARG 83 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1r2u h ARG 83 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1r2u h ARG 83 CO 0.07 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.14 1r2u n MET 85 N -2.23 1.43 -1.18 0.00 2.81 -0.08 -5.03 117.12 112.83 1r2u n MET 85 Ca 0.03 -0.66 0.16 0.00 -1.81 0.00 0.00 57.70 55.41 1r2u n MET 85 Cb 0.25 -1.23 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 1r2u n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1r2u n LYS 86 N -0.03 -2.47 0.07 0.03 4.01 -0.99 -4.51 118.16 114.27 1r2u n LYS 86 Ca 0.10 1.73 -0.04 0.00 -0.51 0.00 0.00 58.31 59.60 1r2u n LYS 86 Cb 0.18 -2.98 -0.08 0.00 -0.51 0.00 0.00 35.03 31.64 1r2u n LYS 86 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1r2u h ASP 87 N -1.11 0.00 -5.27 4.39 3.58 -1.95 -3.46 116.42 112.60 1r2u h ASP 87 Ca -0.02 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 1r2u h ASP 87 Cb 1.09 0.00 0.14 0.00 1.72 0.00 0.00 39.33 42.29 1r2u h ASP 87 CO 0.02 0.83 -0.67 -0.67 -2.88 0.00 0.00 179.24 175.88 1r2u n ASP 88 N -3.26 -3.00 0.00 2.28 2.03 -1.26 -4.79 116.55 108.56 1r2u n ASP 88 Ca -0.02 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.76 1r2u n ASP 88 Cb 0.88 -4.60 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08