#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 2.04 0.00 6.12 -0.87 -1.26 -5.06 114.94 115.91 1r2u s ASN 2 Ca 0.00 -1.43 0.15 0.00 -1.57 0.00 0.00 52.86 50.01 1r2u s ASN 2 Cb 0.00 0.10 0.07 0.00 -0.02 0.00 0.00 41.25 41.40 1r2u s ASN 2 CO 0.00 -0.71 0.91 -0.67 -2.57 0.00 0.00 177.10 174.07 1r2u n ASP 3 N -0.72 1.98 0.18 -1.22 2.03 -1.26 -4.41 116.55 113.12 1r2u n ASP 3 Ca -0.02 -1.49 0.05 0.00 0.52 0.00 0.00 54.79 53.85 1r2u n ASP 3 Cb 0.66 0.20 0.29 0.00 -0.72 0.00 0.00 41.12 41.55 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 2.46 0.94 -0.16 5.18 -2.65 -1.97 -1.55 117.51 119.76 1r2u h ILE 4 Ca 0.00 -1.64 -0.16 0.00 1.03 0.00 0.00 64.86 64.09 1r2u h ILE 4 Cb 0.59 1.99 -0.01 0.00 -2.05 0.00 0.00 36.82 37.34 1r2u h ILE 4 CO 0.00 0.40 -0.56 1.88 0.03 0.00 0.00 178.15 179.91 1r2u h TYR 5 N 0.00 0.60 -0.02 0.16 0.05 -1.90 0.16 116.97 116.02 1r2u h TYR 5 Ca -0.00 -0.22 -0.25 0.00 0.05 0.00 0.00 58.73 58.31 1r2u h TYR 5 Cb 0.96 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.60 1r2u h TYR 5 CO 0.00 0.93 -0.97 0.87 -1.05 0.00 0.00 178.16 177.93 1r2u h LYS 6 N 0.37 0.61 -0.00 4.88 1.79 -1.77 -0.90 116.57 121.55 1r2u h LYS 6 Ca 0.01 -0.63 -0.13 0.00 -2.18 0.00 0.00 60.65 57.71 1r2u h LYS 6 Cb 1.09 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 1r2u h LYS 6 CO 0.10 1.24 -0.63 0.00 -1.08 0.00 0.00 179.45 179.08 1r2u h ALA 7 N 0.55 0.96 0.00 3.86 0.00 -1.22 -3.14 119.26 120.26 1r2u h ALA 7 Ca -0.10 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.03 1r2u h ALA 7 Cb 1.61 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1r2u h ALA 7 CO 0.18 0.78 -1.08 0.00 0.00 0.00 0.00 179.25 179.14 1r2u h ALA 8 N 1.36 0.48 -0.46 0.00 0.00 -0.66 -3.31 119.26 116.68 1r2u h ALA 8 Ca -0.01 -0.95 0.12 0.00 0.00 0.00 0.00 54.91 54.07 1r2u h ALA 8 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1r2u h ALA 8 CO 0.08 1.21 0.32 -0.24 0.00 0.00 0.00 179.25 180.63 1r2u h VAL 9 N 0.00 0.81 0.00 0.00 3.04 -1.11 0.20 116.25 119.20 1r2u h VAL 9 Ca -0.07 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.54 1r2u h VAL 9 Cb 1.75 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1r2u h VAL 9 CO 0.11 0.02 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.11 1r2u h GLU 10 N 0.09 0.00 0.02 4.17 5.08 -1.67 -3.28 114.58 118.99 1r2u h GLU 10 Ca 0.22 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 1r2u h GLU 10 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1r2u h GLU 10 CO -0.02 0.24 -1.00 1.96 -1.00 0.00 0.00 179.01 179.19 1r2u h GLN 11 N 0.00 0.04 -6.93 2.33 4.20 -0.84 -3.46 115.11 110.46 1r2u h GLN 11 Ca -0.00 -0.07 -0.50 0.00 0.06 0.00 0.00 58.65 58.13 1r2u h GLN 11 Cb 0.83 0.03 0.04 0.00 0.30 0.00 0.00 27.48 28.68 1r2u h GLN 11 CO 0.03 1.04 0.47 -0.48 -0.67 0.00 0.00 178.83 179.22 1r2u s LEU 12 N -7.89 4.23 0.45 1.46 0.05 -0.27 -5.05 118.68 111.66 1r2u s LEU 12 Ca -0.25 2.25 0.07 0.00 0.05 0.00 0.00 54.13 56.25 1r2u s LEU 12 Cb 0.04 -4.01 -0.01 0.00 -2.05 0.00 0.00 46.19 40.16 1r2u s LEU 12 CO 0.65 -0.54 0.36 0.42 -0.55 0.00 0.00 176.35 176.68 1r2u s THR 13 N -1.44 2.32 0.44 5.48 -4.23 -1.26 -4.84 115.64 112.11 1r2u s THR 13 Ca 0.55 -1.43 0.13 0.00 -1.18 0.00 0.00 61.69 59.76 1r2u s THR 13 Cb -0.28 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 70.99 1r2u s THR 13 CO 0.36 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.88 1r2u h ASP 14 N 1.00 0.06 -0.73 3.99 3.32 -1.96 -2.19 116.42 119.90 1r2u h ASP 14 Ca -0.40 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1r2u h ASP 14 Cb 1.27 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1r2u h ASP 14 CO 0.59 0.20 0.39 -0.33 -1.72 0.00 0.00 179.24 178.38 1r2u h GLU 15 N 0.06 1.02 -0.43 3.56 3.07 -1.99 0.44 114.58 120.32 1r2u h GLU 15 Ca 0.01 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1r2u h GLU 15 Cb 0.28 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1r2u h GLU 15 CO 0.02 0.77 0.29 1.96 -1.40 0.00 0.00 179.01 180.64 1r2u h GLN 16 N 1.01 0.57 -0.03 2.33 4.20 -1.79 -0.82 115.11 120.57 1r2u h GLN 16 Ca 0.26 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.85 1r2u h GLN 16 Cb 0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1r2u h GLN 16 CO -0.04 0.38 -0.35 0.87 -0.67 0.00 0.00 178.83 179.02 1r2u h LYS 17 N 0.59 0.05 -0.25 1.46 6.56 -1.34 -0.51 116.57 123.14 1r2u h LYS 17 Ca 0.16 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.69 1r2u h LYS 17 Cb -0.07 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 1r2u h LYS 17 CO -0.03 0.40 -0.00 -0.97 -2.06 0.00 0.00 179.45 176.78 1r2u h ASN 18 N 0.05 0.44 -0.53 0.86 -1.24 -0.11 0.24 115.58 115.29 1r2u h ASN 18 Ca 0.00 -0.31 -0.10 0.00 0.71 0.00 0.00 56.30 56.60 1r2u h ASN 18 Cb 0.64 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1r2u h ASN 18 CO 0.05 0.65 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.46 1r2u h GLU 19 N 0.23 0.97 -0.54 6.67 5.08 -0.97 -1.07 114.58 124.94 1r2u h GLU 19 Ca 0.07 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1r2u h GLU 19 Cb 0.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1r2u h GLU 19 CO 0.01 1.00 0.21 0.74 -1.00 0.00 0.00 179.01 179.97 1r2u h PHE 20 N 0.84 0.82 -0.49 4.33 -1.00 -0.96 0.25 116.94 120.73 1r2u h PHE 20 Ca 0.14 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 1r2u h PHE 20 Cb 0.59 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1r2u h PHE 20 CO 0.04 0.68 0.07 -0.22 -1.61 0.00 0.00 178.31 177.27 1r2u h LYS 21 N 0.73 0.82 -0.32 1.51 1.63 -0.38 -0.28 116.57 120.28 1r2u h LYS 21 Ca 0.18 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 1r2u h LYS 21 Cb 0.21 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1r2u h LYS 21 CO -0.01 0.82 -0.02 0.00 -3.45 0.00 0.00 179.45 176.79 1r2u h ALA 22 N 0.96 0.43 0.00 5.00 0.00 -1.00 0.32 119.26 124.97 1r2u h ALA 22 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1r2u h ALA 22 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r2u h ALA 22 CO 0.01 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1r2u h ALA 23 N 0.83 1.26 0.00 0.00 0.00 -0.37 -1.52 119.26 119.46 1r2u h ALA 23 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1r2u h ALA 23 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r2u h ALA 23 CO 0.02 0.10 -0.52 0.35 0.00 0.00 0.00 179.25 179.19 1r2u h PHE 24 N 0.00 0.00 -0.87 0.00 3.04 -0.59 -3.38 116.94 115.13 1r2u h PHE 24 Ca -0.00 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1r2u h PHE 24 Cb 0.26 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.71 1r2u h PHE 24 CO 0.00 0.67 0.57 0.22 -2.02 0.00 0.00 178.31 177.74 1r2u h ASP 25 N -1.00 0.75 -0.88 0.41 1.82 -0.30 -0.53 116.42 116.69 1r2u h ASP 25 Ca -0.11 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.68 1r2u h ASP 25 Cb 0.75 -0.13 -0.07 0.00 0.68 0.00 0.00 39.33 40.56 1r2u h ASP 25 CO -0.06 0.43 0.57 0.16 -1.61 0.00 0.00 179.24 178.72 1r2u h ILE 26 N 0.82 0.89 0.02 2.25 3.07 -1.46 -0.59 117.51 122.51 1r2u h ILE 26 Ca 0.41 -0.26 -0.25 0.00 1.55 0.00 0.00 64.86 66.31 1r2u h ILE 26 Cb 0.47 0.06 -0.03 0.00 -0.27 0.00 0.00 36.82 37.05 1r2u h ILE 26 CO -0.18 0.14 -1.33 -0.26 -1.05 0.00 0.00 178.15 175.47 1r2u h PHE 27 N 0.76 0.06 -0.71 0.16 -1.00 -1.44 -3.32 116.94 111.46 1r2u h PHE 27 Ca 0.43 -0.04 -0.45 0.00 2.81 0.00 0.00 57.97 60.71 1r2u h PHE 27 Cb 0.58 -0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.92 1r2u h PHE 27 CO -0.00 1.05 0.59 -0.89 -1.61 0.00 0.00 178.31 177.44 1r2u n ILE 28 N -3.25 3.02 0.12 -0.55 2.08 -0.31 -4.42 119.36 116.05 1r2u n ILE 28 Ca -0.08 -2.02 -0.02 0.00 0.56 0.00 0.00 62.75 61.19 1r2u n ILE 28 Cb 1.00 -1.11 0.19 0.00 -0.75 0.00 0.00 39.64 38.96 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 0.11 -0.09 0.38 3.07 -1.37 -3.37 115.11 115.32 1r2u h GLN 29 Ca 0.44 -0.07 -0.21 0.00 0.09 0.00 0.00 58.65 58.90 1r2u h GLN 29 Cb 1.20 0.01 -0.18 0.00 0.08 0.00 0.00 27.48 28.59 1r2u h GLN 29 CO 1.05 0.63 -0.41 -3.47 0.09 0.00 0.00 178.83 176.72 1r2u n ASP 30 N -3.91 -1.34 -4.77 0.06 2.03 -1.26 -5.13 116.55 102.22 1r2u n ASP 30 Ca -0.02 -2.36 -0.31 0.00 0.52 0.00 0.00 54.79 52.62 1r2u n ASP 30 Cb 0.56 0.71 0.08 0.00 -0.72 0.00 0.00 41.12 41.75 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 -0.25 2.35 0.00 -1.67 0.00 -1.26 -4.98 121.76 115.95 1r2u s ALA 31 Ca 0.17 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1r2u s ALA 31 Cb 0.42 -3.27 -0.19 0.00 0.00 0.00 0.00 23.12 20.08 1r2u s ALA 31 CO -0.09 -1.60 1.36 0.93 0.00 0.00 0.00 175.76 176.35 1r2u h GLU 32 N -0.81 0.03 0.00 0.00 5.08 -1.97 -3.38 114.58 113.53 1r2u h GLU 32 Ca -0.44 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 57.61 1r2u h GLU 32 Cb 1.23 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1r2u h GLU 32 CO 0.52 0.43 -2.10 -0.25 -1.00 0.00 0.00 179.01 176.61 1r2u n ASP 33 N -4.87 1.91 0.00 1.42 9.92 -1.26 -5.04 116.55 118.63 1r2u n ASP 33 Ca -0.08 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1r2u n ASP 33 Cb 0.22 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 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 2.34 0.93 3.74 0.44 0.00 -1.26 -5.16 105.19 106.21 1r2u n GLY 34 Ca -0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.82 1.80 0.12 0.00 -5.25 -0.64 -4.85 121.20 108.57 1r2u s ILE 36 Ca 0.17 -1.22 -0.08 0.00 -0.99 0.00 0.00 60.65 58.53 1r2u s ILE 36 Cb -0.04 -2.03 -0.06 0.00 2.95 0.00 0.00 42.46 43.29 1r2u s ILE 36 CO 0.09 0.00 0.41 -0.55 -1.79 0.00 0.00 174.94 173.10 1r2u s SER 37 N -4.53 6.59 0.20 4.36 0.15 -1.26 0.41 113.70 119.62 1r2u s SER 37 Ca 0.49 0.74 -0.11 0.00 0.70 0.00 0.00 55.95 57.78 1r2u s SER 37 Cb -0.04 -2.15 0.16 0.00 -1.71 0.00 0.00 66.02 62.28 1r2u s SER 37 CO 0.31 0.09 1.86 0.71 1.20 0.00 0.00 173.24 177.41 1r2u h THR 38 N 2.44 1.14 0.00 6.45 1.35 -1.88 -0.66 112.91 121.75 1r2u h THR 38 Ca -0.48 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1r2u h THR 38 Cb 1.18 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1r2u h THR 38 CO 0.69 0.17 0.00 0.07 -0.25 0.00 0.00 175.52 176.20 1r2u h LYS 39 N 0.92 0.00 0.00 4.72 2.10 -1.94 -2.73 116.57 119.63 1r2u h LYS 39 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1r2u h LYS 39 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1r2u h LYS 39 CO -0.08 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.76 1r2u n GLU 40 N -2.89 0.66 -0.11 0.07 1.02 -0.27 -3.81 120.64 115.31 1r2u n GLU 40 Ca 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 1r2u n GLU 40 Cb 0.33 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.23 -2.26 -4.62 6.46 -1.38 -0.21 115.31 113.54 1r2u h LEU 41 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1r2u h LEU 41 Cb 0.16 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1r2u h LEU 41 CO 0.00 0.18 0.00 1.23 -0.62 0.00 0.00 178.44 179.23 1r2u h GLY 42 N 0.35 0.00 1.26 3.75 0.00 -1.82 -1.82 103.07 104.79 1r2u h GLY 42 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 1r2u h GLY 42 CO -0.13 0.00 -1.52 0.50 0.00 0.00 0.00 176.54 175.40 1r2u h LYS 43 N 0.00 0.14 0.01 4.80 1.79 -1.29 -3.32 116.57 118.70 1r2u h LYS 43 Ca 0.00 -0.23 -0.20 0.00 -2.18 0.00 0.00 60.65 58.04 1r2u h LYS 43 Cb 0.09 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1r2u h LYS 43 CO 0.00 0.93 -0.91 -0.39 -1.08 0.00 0.00 179.45 177.99 1r2u h VAL 44 N 0.04 1.58 -0.59 0.50 -1.51 -0.61 -3.22 116.25 112.44 1r2u h VAL 44 Ca -0.22 -2.91 -0.02 0.00 -1.23 0.00 0.00 66.70 62.31 1r2u h VAL 44 Cb 1.97 2.61 -0.03 0.00 -2.13 0.00 0.00 31.29 33.72 1r2u h VAL 44 CO 0.13 0.84 0.29 0.24 -1.23 0.00 0.00 177.57 177.83 1r2u h MET 45 N 0.04 0.83 -0.90 5.19 2.86 -1.53 -0.01 114.93 121.41 1r2u h MET 45 Ca -0.03 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1r2u h MET 45 Cb 1.58 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 33.04 1r2u h MET 45 CO 0.13 0.64 0.54 0.00 1.06 0.00 0.00 176.91 179.27 1r2u h ARG 46 N 0.83 1.22 0.07 1.72 3.08 -1.51 0.41 114.38 120.20 1r2u h ARG 46 Ca 0.21 -0.11 -0.25 0.00 0.07 0.00 0.00 59.98 59.89 1r2u h ARG 46 Cb 0.08 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1r2u h ARG 46 CO -0.03 0.86 -1.10 0.52 -1.07 0.00 0.00 179.97 179.15 1r2u h MET 47 N 1.24 0.33 -0.04 0.04 2.86 -1.49 -3.33 114.93 114.53 1r2u h MET 47 Ca 0.32 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1r2u h MET 47 Cb -0.05 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1r2u h MET 47 CO -0.06 1.16 -0.01 1.25 1.06 0.00 0.00 176.91 180.31 1r2u h LEU 48 N 0.15 0.08 0.00 1.22 5.85 -0.66 -3.47 115.31 118.47 1r2u h LEU 48 Ca -0.11 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1r2u h LEU 48 Cb 1.78 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1r2u h LEU 48 CO 0.18 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.33 1r2u n GLY 49 N -0.09 0.06 3.47 3.75 0.00 0.31 -5.09 105.19 107.61 1r2u n GLY 49 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 1.32 -0.44 1.61 -0.21 0.12 -5.01 119.66 117.04 1r2u s GLN 50 Ca 0.00 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.68 1r2u s GLN 50 Cb 0.00 0.53 0.20 0.00 1.00 0.00 0.00 33.01 34.74 1r2u s GLN 50 CO 0.00 -0.56 0.54 -1.71 -2.12 0.00 0.00 175.29 171.44 1r2u n ASN 51 N -0.33 -1.37 -2.16 5.90 5.15 -1.26 -2.62 115.26 118.57 1r2u n ASN 51 Ca -0.12 -2.69 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 1r2u n ASN 51 Cb 0.63 0.28 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 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 2.41 0.36 -4.07 1.20 -0.04 -1.26 -5.12 135.00 128.49 1r2u n PRO 52 Ca 0.23 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1r2u n PRO 52 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.55 2.19 0.25 0.52 -4.23 -1.26 -4.99 115.64 107.57 1r2u s THR 53 Ca 0.00 -1.64 0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1r2u s THR 53 Cb 0.00 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 71.08 1r2u s THR 53 CO 0.00 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.35 1r2u h PRO 54 N 1.28 0.00 0.19 3.99 0.13 -1.99 -1.83 132.00 133.77 1r2u h PRO 54 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 1r2u h PRO 54 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 1r2u h PRO 54 CO 0.67 0.45 -1.42 0.93 -0.23 0.00 0.00 178.00 178.39 1r2u h GLU 55 N 0.00 0.40 0.70 0.86 5.08 -1.99 -2.84 114.58 116.79 1r2u h GLU 55 Ca -0.00 -0.69 -0.03 0.00 -1.00 0.00 0.00 59.36 57.64 1r2u h GLU 55 Cb 0.90 0.26 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1r2u h GLU 55 CO 0.06 1.32 -0.34 1.49 -1.00 0.00 0.00 179.01 180.54 1r2u h GLU 56 N 0.11 -0.90 0.00 2.33 4.22 -1.94 -2.84 114.58 115.56 1r2u h GLU 56 Ca -0.22 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.28 1r2u h GLU 56 Cb 2.08 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.53 1r2u h GLU 56 CO 0.23 -0.57 -0.01 1.37 -2.18 0.00 0.00 179.01 177.85 1r2u h LEU 57 N -1.13 0.00 0.20 1.64 8.10 -1.48 -2.86 115.31 119.79 1r2u h LEU 57 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 1r2u h LEU 57 Cb 0.75 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1r2u h LEU 57 CO 0.16 0.01 -0.11 -0.61 -4.11 0.00 0.00 178.44 173.77 1r2u h GLN 58 N 0.00 -0.28 -0.27 0.17 5.75 -1.25 -2.03 115.11 117.20 1r2u h GLN 58 Ca -0.00 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1r2u h GLN 58 Cb 0.02 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1r2u h GLN 58 CO 0.00 -0.19 0.19 1.05 -2.65 0.00 0.00 178.83 177.23 1r2u h GLU 59 N -0.29 0.03 -0.15 1.69 4.11 -1.45 -1.66 114.58 116.85 1r2u h GLU 59 Ca -0.02 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1r2u h GLU 59 Cb 0.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1r2u h GLU 59 CO 0.03 0.02 -0.11 0.52 0.07 0.00 0.00 179.01 179.54 1r2u h MET 60 N 0.03 0.33 0.11 1.06 2.86 -1.51 -2.61 114.93 115.20 1r2u h MET 60 Ca 0.13 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1r2u h MET 60 Cb 0.48 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1r2u h MET 60 CO -0.01 0.69 -0.13 0.82 1.06 0.00 0.00 176.91 179.35 1r2u h ILE 61 N -0.02 0.00 -1.02 -1.22 2.04 -0.61 0.41 117.51 117.09 1r2u h ILE 61 Ca 0.03 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.14 1r2u h ILE 61 Cb 0.62 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.60 1r2u h ILE 61 CO 0.03 0.00 0.65 0.44 0.00 0.00 0.00 178.15 179.27 1r2u h ASP 62 N -0.25 0.50 -0.01 1.72 3.32 -1.59 0.42 116.42 120.53 1r2u h ASP 62 Ca -0.01 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1r2u h ASP 62 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1r2u h ASP 62 CO -0.03 0.12 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.09 1r2u h GLU 63 N 0.45 0.15 0.00 3.56 4.39 -1.14 -3.33 114.58 118.67 1r2u h GLU 63 Ca 0.59 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 60.03 1r2u h GLU 63 Cb 1.38 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 1r2u h GLU 63 CO -0.31 0.85 -0.55 -0.39 -1.16 0.00 0.00 179.01 177.45 1r2u h VAL 64 N -0.50 1.17 -0.55 3.13 -1.51 0.55 -3.39 116.25 115.15 1r2u h VAL 64 Ca -0.02 -2.03 -0.41 0.00 -1.23 0.00 0.00 66.70 63.01 1r2u h VAL 64 Cb 0.90 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 32.18 1r2u h VAL 64 CO 0.04 0.53 1.34 -0.62 -1.23 0.00 0.00 177.57 177.63 1r2u s ASP 65 N -6.61 5.45 0.29 4.19 -1.08 0.14 -4.56 116.67 114.48 1r2u s ASP 65 Ca 0.00 -1.87 -0.02 0.00 -0.52 0.00 0.00 52.55 50.14 1r2u s ASP 65 Cb 0.11 -2.59 0.42 0.00 -1.46 0.00 0.00 42.92 39.40 1r2u s ASP 65 CO 0.73 -2.65 1.91 -0.33 0.52 0.00 0.00 175.17 175.36 1r2u h GLU 66 N 9.19 1.00 0.23 4.34 5.08 -1.86 -3.00 114.58 129.56 1r2u h GLU 66 Ca 0.27 -0.11 -0.34 0.00 -1.00 0.00 0.00 59.36 58.18 1r2u h GLU 66 Cb 0.92 -0.20 0.03 0.00 0.50 0.00 0.00 28.75 30.00 1r2u h GLU 66 CO 1.28 0.74 -1.55 0.38 -1.00 0.00 0.00 179.01 178.86 1r2u h ASP 67 N 1.00 0.76 -3.36 1.42 2.03 -1.97 -3.49 116.42 112.81 1r2u h ASP 67 Ca 0.25 -0.93 -0.10 0.00 -0.73 0.00 0.00 57.03 55.53 1r2u h ASP 67 Cb 0.04 -0.25 0.06 0.00 -0.83 0.00 0.00 39.33 38.35 1r2u h ASP 67 CO -0.04 1.73 -0.25 0.61 -1.03 0.00 0.00 179.24 180.26 1r2u n GLY 68 N 1.77 0.21 0.11 7.15 0.00 -1.14 -5.01 105.19 108.28 1r2u n GLY 68 Ca -0.20 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.80 1.89 0.00 1.61 3.41 -1.26 -5.03 113.62 112.44 1r2u n SER 69 Ca -0.07 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1r2u n SER 69 Cb 0.55 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.41 1.24 3.95 5.00 0.00 -1.26 -5.14 105.19 110.39 1r2u n GLY 70 Ca -0.33 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 5.24 -0.31 2.61 -4.23 -1.26 -3.22 115.64 114.47 1r2u s THR 71 Ca 0.00 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.56 1r2u s THR 71 Cb 0.00 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.07 1r2u s THR 71 CO 0.00 -0.23 0.08 -0.69 -0.54 0.00 0.00 174.62 173.24 1r2u s VAL 72 N -1.89 3.90 0.86 2.29 1.01 0.17 -4.86 120.40 121.88 1r2u s VAL 72 Ca 0.34 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1r2u s VAL 72 Cb -0.10 -3.06 0.17 0.00 0.00 0.00 0.00 36.38 33.39 1r2u s VAL 72 CO 0.29 0.01 1.18 -1.81 0.00 0.00 0.00 175.10 174.77 1r2u s ASP 73 N 1.47 3.62 0.41 3.32 1.01 -1.26 -1.62 116.67 123.62 1r2u s ASP 73 Ca 0.01 -0.09 0.15 0.00 0.71 0.00 0.00 52.55 53.34 1r2u s ASP 73 Cb -0.18 -0.08 0.87 0.00 1.01 0.00 0.00 42.92 44.54 1r2u s ASP 73 CO 0.02 -2.37 1.89 0.15 0.21 0.00 0.00 175.17 175.07 1r2u h PHE 74 N -1.14 0.00 -0.62 4.23 3.57 -1.98 0.13 116.94 121.13 1r2u h PHE 74 Ca -0.40 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.02 1r2u h PHE 74 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1r2u h PHE 74 CO -0.77 0.30 0.07 -0.44 -2.23 0.00 0.00 178.31 175.24 1r2u h ASP 75 N 0.00 1.00 1.37 0.41 3.32 -1.98 0.80 116.42 121.33 1r2u h ASP 75 Ca -0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 1r2u h ASP 75 Cb 0.56 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1r2u h ASP 75 CO 0.04 1.01 -0.58 -0.33 -1.72 0.00 0.00 179.24 177.66 1r2u h GLU 76 N 0.96 0.00 -0.16 3.56 5.08 -1.68 -2.55 114.58 119.79 1r2u h GLU 76 Ca 0.19 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1r2u h GLU 76 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r2u h GLU 76 CO 0.02 0.58 -0.62 0.35 -1.00 0.00 0.00 179.01 178.34 1r2u h PHE 77 N 0.00 0.72 0.21 4.33 3.57 -0.22 -3.07 116.94 122.47 1r2u h PHE 77 Ca -0.01 -0.28 -0.27 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 77 Cb 1.43 -0.13 0.03 0.00 2.79 0.00 0.00 35.95 40.07 1r2u h PHE 77 CO 0.00 1.03 -1.19 -0.07 -2.23 0.00 0.00 178.31 175.85 1r2u h LEU 78 N 0.41 0.69 -2.08 0.59 3.38 -0.89 -3.29 115.31 114.13 1r2u h LEU 78 Ca -0.01 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.08 1r2u h LEU 78 Cb 1.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1r2u h LEU 78 CO 0.12 1.58 0.13 -0.37 0.09 0.00 0.00 178.44 179.99 1r2u h VAL 79 N -0.07 0.81 -1.02 1.22 -1.51 -1.53 -2.19 116.25 111.96 1r2u h VAL 79 Ca -0.21 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.51 1r2u h VAL 79 Cb 1.94 0.90 -0.11 0.00 -2.13 0.00 0.00 31.29 31.90 1r2u h VAL 79 CO 0.22 0.00 0.63 0.24 -1.23 0.00 0.00 177.57 177.43 1r2u h MET 80 N 0.00 0.52 0.21 5.19 2.86 -1.60 0.77 114.93 122.88 1r2u h MET 80 Ca 0.08 -0.03 -0.32 0.00 -2.06 0.00 0.00 59.70 57.37 1r2u h MET 80 Cb 0.35 -0.12 0.03 0.00 0.06 0.00 0.00 31.60 31.92 1r2u h MET 80 CO -0.00 0.34 -1.40 0.00 1.06 0.00 0.00 176.91 176.91 1r2u h MET 81 N 0.54 0.44 0.00 1.72 -0.00 -1.60 -3.34 114.93 112.68 1r2u h MET 81 Ca 0.61 -0.76 -0.21 0.00 -0.00 0.00 0.00 59.70 59.35 1r2u h MET 81 Cb 1.28 0.28 -0.03 0.00 -0.00 0.00 0.00 31.60 33.13 1r2u h MET 81 CO -0.38 1.36 -0.98 -0.39 -0.00 0.00 0.00 176.91 176.51 1r2u h VAL 82 N 0.12 1.71 -0.01 -0.10 -1.51 -1.35 -3.25 116.25 111.86 1r2u h VAL 82 Ca -0.21 -3.38 0.00 0.00 -1.23 0.00 0.00 66.70 61.88 1r2u h VAL 82 Cb 2.10 2.82 -0.00 0.00 -2.13 0.00 0.00 31.29 34.09 1r2u h VAL 82 CO 0.25 0.97 0.02 0.03 -1.23 0.00 0.00 177.57 177.60 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 3.08 0.40 -1.06 114.38 121.99 1r2u h ARG 83 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1r2u h ARG 83 Cb 1.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.80 1r2u h ARG 83 CO 0.13 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 179.00 1r2u h MET 85 N 0.00 -0.63 0.00 0.00 2.86 -1.40 -3.40 114.93 112.35 1r2u h MET 85 Ca -0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1r2u h MET 85 Cb 0.06 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1r2u h MET 85 CO 0.00 -0.42 0.00 1.63 1.06 0.00 0.00 176.91 179.18 1r2u n LYS 86 N -5.43 0.00 -2.13 1.72 4.76 -1.07 -5.12 118.16 110.90 1r2u n LYS 86 Ca -0.09 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.34 1r2u n LYS 86 Cb 0.34 -0.32 -0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1r2u n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1r2u n ASP 87 N -2.18 -7.13 -4.55 4.39 2.03 0.23 -4.83 116.55 104.51 1r2u n ASP 87 Ca 0.00 1.45 -0.40 0.00 0.52 0.00 0.00 54.79 56.36 1r2u n ASP 87 Cb 0.00 -4.41 -0.03 0.00 -0.72 0.00 0.00 41.12 35.95 1r2u n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1r2u s ASP 88 N -0.49 5.99 0.00 1.67 1.01 -1.26 -5.09 116.67 118.50 1r2u s ASP 88 Ca -0.03 -0.34 0.28 0.00 0.71 0.00 0.00 52.55 53.16 1r2u s ASP 88 Cb 0.00 -2.55 0.99 0.00 1.01 0.00 0.00 42.92 42.37 1r2u s ASP 88 CO 0.09 -1.94 1.71 -0.24 0.21 0.00 0.00 175.17 175.00