#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 1.44 0.00 3.17 -0.87 -1.26 -4.99 114.94 112.43 1r2u s ASN 2 Ca 0.00 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1r2u s ASN 2 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 1r2u s ASN 2 CO 0.00 -0.27 0.74 0.47 -2.57 0.00 0.00 177.10 175.46 1r2u n ASP 3 N 5.29 1.05 0.07 -1.22 8.00 -1.26 -4.73 116.55 123.75 1r2u n ASP 3 Ca -0.04 -1.51 -0.00 0.00 0.71 0.00 0.00 54.79 53.95 1r2u n ASP 3 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 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 1.28 0.73 -0.03 0.53 -2.65 -1.96 -3.12 117.51 112.29 1r2u h ILE 4 Ca 0.00 -2.21 -0.13 0.00 1.03 0.00 0.00 64.86 63.55 1r2u h ILE 4 Cb 0.69 2.24 -0.01 0.00 -2.05 0.00 0.00 36.82 37.68 1r2u h ILE 4 CO 0.00 0.42 -0.57 1.88 0.03 0.00 0.00 178.15 179.90 1r2u h TYR 5 N 0.00 0.14 -0.01 0.16 0.05 -1.87 -0.01 116.97 115.42 1r2u h TYR 5 Ca -0.10 -0.05 -0.25 0.00 0.05 0.00 0.00 58.73 58.38 1r2u h TYR 5 Cb 1.55 -0.03 0.01 0.00 1.01 0.00 0.00 36.73 39.28 1r2u h TYR 5 CO 0.00 0.66 -0.98 0.87 -1.05 0.00 0.00 178.16 177.65 1r2u h LYS 6 N 0.08 0.61 -0.02 4.88 1.79 -1.88 -0.28 116.57 121.76 1r2u h LYS 6 Ca -0.00 -0.64 -0.14 0.00 -2.18 0.00 0.00 60.65 57.69 1r2u h LYS 6 Cb 1.04 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 1r2u h LYS 6 CO 0.08 1.24 -0.65 0.00 -1.08 0.00 0.00 179.45 179.05 1r2u h ALA 7 N 0.54 0.89 0.00 3.86 0.00 -1.46 -3.14 119.26 119.94 1r2u h ALA 7 Ca -0.11 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.11 1r2u h ALA 7 Cb 1.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1r2u h ALA 7 CO 0.19 0.79 -0.80 0.00 0.00 0.00 0.00 179.25 179.43 1r2u h ALA 8 N 1.29 0.67 -0.45 0.00 0.00 -0.98 -3.32 119.26 116.47 1r2u h ALA 8 Ca -0.01 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.47 1r2u h ALA 8 Cb 1.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1r2u h ALA 8 CO 0.09 0.61 0.30 -0.24 0.00 0.00 0.00 179.25 180.02 1r2u h VAL 9 N 0.00 0.94 0.00 0.00 3.04 -0.98 0.49 116.25 119.74 1r2u h VAL 9 Ca -0.05 -0.11 -0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1r2u h VAL 9 Cb 1.38 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1r2u h VAL 9 CO 0.05 0.06 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.12 1r2u h GLU 10 N 0.33 0.00 0.21 4.17 5.08 -1.68 -2.95 114.58 119.74 1r2u h GLU 10 Ca 0.20 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 10 Cb 0.37 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.65 1r2u h GLU 10 CO -0.05 0.21 -1.41 1.96 -1.00 0.00 0.00 179.01 178.73 1r2u h GLN 11 N 0.00 0.55 -7.02 2.33 4.20 -1.11 -3.46 115.11 110.61 1r2u h GLN 11 Ca -0.00 -0.88 -0.54 0.00 0.06 0.00 0.00 58.65 57.29 1r2u h GLN 11 Cb 0.57 0.32 0.12 0.00 0.30 0.00 0.00 27.48 28.79 1r2u h GLN 11 CO 0.03 1.41 0.62 -0.51 -0.67 0.00 0.00 178.83 179.71 1r2u s LEU 12 N -7.64 3.98 0.42 1.46 1.43 -0.95 -5.03 118.68 112.35 1r2u s LEU 12 Ca -0.09 2.74 0.08 0.00 -1.03 0.00 0.00 54.13 55.83 1r2u s LEU 12 Cb 0.05 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 1r2u s LEU 12 CO 0.94 -1.32 0.47 0.42 0.23 0.00 0.00 176.35 177.10 1r2u s THR 13 N -1.30 2.82 0.35 5.49 -4.23 -1.26 -4.98 115.64 112.53 1r2u s THR 13 Ca 0.66 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.09 1r2u s THR 13 Cb -0.40 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.56 1r2u s THR 13 CO 0.49 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.84 1r2u h ASP 14 N 0.83 0.19 -0.91 3.99 3.32 -1.98 -2.70 116.42 119.17 1r2u h ASP 14 Ca -0.41 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1r2u h ASP 14 Cb 1.27 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1r2u h ASP 14 CO 0.51 0.46 0.57 1.05 -1.72 0.00 0.00 179.24 180.11 1r2u h GLU 15 N 0.18 1.22 -0.29 3.56 4.11 -1.98 0.30 114.58 121.67 1r2u h GLU 15 Ca 0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1r2u h GLU 15 Cb 0.56 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1r2u h GLU 15 CO 0.04 0.84 0.06 1.96 0.07 0.00 0.00 179.01 181.97 1r2u h GLN 16 N 1.25 0.48 0.00 1.06 1.08 -1.89 -2.02 115.11 115.07 1r2u h GLN 16 Ca 0.33 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1r2u h GLN 16 Cb -0.08 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1r2u h GLN 16 CO -0.07 0.58 -0.25 0.87 -0.95 0.00 0.00 178.83 179.01 1r2u h LYS 17 N 0.31 0.00 -0.21 1.46 6.56 -1.32 -1.46 116.57 121.92 1r2u h LYS 17 Ca 0.09 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1r2u h LYS 17 Cb 0.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1r2u h LYS 17 CO 0.00 0.25 -0.05 -0.91 -2.06 0.00 0.00 179.45 176.68 1r2u h ASN 18 N 0.00 0.40 -0.34 0.86 2.35 -0.00 0.36 115.58 119.22 1r2u h ASN 18 Ca -0.00 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 1r2u h ASN 18 Cb 0.70 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1r2u h ASN 18 CO 0.03 0.67 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.09 1r2u h GLU 19 N 0.13 0.64 -0.67 0.81 5.08 -1.22 -0.69 114.58 118.65 1r2u h GLU 19 Ca 0.05 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1r2u h GLU 19 Cb 0.50 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1r2u h GLU 19 CO 0.02 0.81 0.33 0.74 -1.00 0.00 0.00 179.01 179.90 1r2u h PHE 20 N 0.43 0.96 -0.37 4.33 -1.00 -1.20 0.31 116.94 120.39 1r2u h PHE 20 Ca 0.09 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 1r2u h PHE 20 Cb 0.56 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1r2u h PHE 20 CO 0.05 0.72 -0.07 -0.22 -1.61 0.00 0.00 178.31 177.18 1r2u h LYS 21 N 0.93 0.70 -0.27 1.51 1.63 -0.18 -0.79 116.57 120.10 1r2u h LYS 21 Ca 0.23 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1r2u h LYS 21 Cb 0.11 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1r2u h LYS 21 CO -0.03 0.84 -0.01 0.00 -3.45 0.00 0.00 179.45 176.80 1r2u h ALA 22 N 0.84 0.36 0.00 5.00 0.00 -0.91 0.27 119.26 124.82 1r2u h ALA 22 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1r2u h ALA 22 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1r2u h ALA 22 CO 0.03 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1r2u h ALA 23 N 0.81 1.38 0.00 0.00 0.00 -0.33 -1.42 119.26 119.71 1r2u h ALA 23 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1r2u h ALA 23 CO 0.02 0.10 -0.45 0.35 0.00 0.00 0.00 179.25 179.27 1r2u h PHE 24 N 0.00 0.00 -0.93 0.00 3.57 -0.75 -3.37 116.94 115.45 1r2u h PHE 24 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1r2u h PHE 24 Cb 0.22 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 1r2u h PHE 24 CO 0.00 0.71 0.60 -0.44 -2.23 0.00 0.00 178.31 176.95 1r2u h ASP 25 N -1.00 0.87 -0.85 0.41 5.19 -0.37 -0.31 116.42 120.36 1r2u h ASP 25 Ca -0.10 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.47 1r2u h ASP 25 Cb 0.76 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.05 1r2u h ASP 25 CO -0.06 0.51 0.55 0.16 -3.12 0.00 0.00 179.24 177.29 1r2u h ILE 26 N 0.96 0.85 0.01 0.35 3.07 -1.44 -0.35 117.51 120.96 1r2u h ILE 26 Ca 0.43 -0.23 -0.26 0.00 1.55 0.00 0.00 64.86 66.36 1r2u h ILE 26 Cb 0.38 0.13 -0.04 0.00 -0.27 0.00 0.00 36.82 37.03 1r2u h ILE 26 CO -0.19 0.12 -1.40 -0.26 -1.05 0.00 0.00 178.15 175.37 1r2u h PHE 27 N 0.66 0.05 -0.68 0.16 -1.00 -1.46 -3.32 116.94 111.35 1r2u h PHE 27 Ca 0.42 -0.03 -0.43 0.00 2.81 0.00 0.00 57.97 60.74 1r2u h PHE 27 Cb 0.69 -0.00 -0.20 0.00 3.61 0.00 0.00 35.95 40.04 1r2u h PHE 27 CO -0.00 1.04 0.56 -0.89 -1.61 0.00 0.00 178.31 177.41 1r2u n ILE 28 N -3.21 2.94 0.18 -0.55 2.08 -0.23 -4.44 119.36 116.13 1r2u n ILE 28 Ca -0.10 -1.91 0.03 0.00 0.56 0.00 0.00 62.75 61.33 1r2u n ILE 28 Cb 1.00 -1.08 0.34 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 1.39 0.00 -0.13 0.38 -0.00 -1.35 -3.36 115.11 112.05 1r2u h GLN 29 Ca 0.42 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.86 1r2u h GLN 29 Cb 1.28 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 28.56 1r2u h GLN 29 CO 0.99 0.41 -0.47 -3.47 -0.00 0.00 0.00 178.83 176.30 1r2u n ASP 30 N -3.94 -1.05 -4.80 0.06 2.03 -1.26 -5.13 116.55 102.47 1r2u n ASP 30 Ca -0.02 -2.32 -0.33 0.00 0.52 0.00 0.00 54.79 52.65 1r2u n ASP 30 Cb 0.45 0.57 -0.00 0.00 -0.72 0.00 0.00 41.12 41.42 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 -0.55 2.77 -0.03 -1.67 0.00 -1.26 -4.99 121.76 116.04 1r2u s ALA 31 Ca 0.17 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.40 1r2u s ALA 31 Cb 0.42 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 20.08 1r2u s ALA 31 CO -0.09 -0.66 1.14 0.93 0.00 0.00 0.00 175.76 177.08 1r2u h GLU 32 N 0.86 0.16 0.05 0.00 4.39 -1.98 -3.38 114.58 114.69 1r2u h GLU 32 Ca -0.48 -0.13 -0.38 0.00 0.34 0.00 0.00 59.36 58.71 1r2u h GLU 32 Cb 1.23 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 1r2u h GLU 32 CO 0.58 0.78 -2.27 -3.47 -1.16 0.00 0.00 179.01 173.47 1r2u n ASP 33 N -4.61 2.03 0.00 1.42 2.03 -1.26 -5.03 116.55 111.13 1r2u n ASP 33 Ca -0.09 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1r2u n ASP 33 Cb 0.41 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 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 2.10 0.85 3.73 0.27 0.00 -1.26 -5.15 105.19 105.73 1r2u n GLY 34 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.43 0.00 -3.52 0.00 -5.35 -0.48 -4.84 119.36 104.74 1r2u n ILE 36 Ca -0.03 -1.33 -0.38 0.00 -0.27 0.00 0.00 62.75 60.74 1r2u n ILE 36 Cb 0.60 -0.57 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r2u s SER 37 N -3.37 6.79 0.22 7.28 0.15 -1.26 0.03 113.70 123.55 1r2u s SER 37 Ca 0.37 0.94 -0.08 0.00 0.70 0.00 0.00 55.95 57.88 1r2u s SER 37 Cb -0.03 -2.24 0.28 0.00 -1.71 0.00 0.00 66.02 62.32 1r2u s SER 37 CO 0.23 0.33 1.83 0.71 1.20 0.00 0.00 173.24 177.54 1r2u h THR 38 N 3.71 1.00 0.00 6.45 1.35 -1.71 0.15 112.91 123.85 1r2u h THR 38 Ca -0.52 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1r2u h THR 38 Cb 1.22 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1r2u h THR 38 CO 0.61 0.15 0.00 0.07 -0.25 0.00 0.00 175.52 176.10 1r2u h LYS 39 N 0.80 0.00 -0.51 4.72 2.10 -1.94 -2.82 116.57 118.91 1r2u h LYS 39 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 1r2u h LYS 39 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1r2u h LYS 39 CO -0.18 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.66 1r2u n GLU 40 N -3.06 2.20 -0.19 0.07 -0.58 -0.01 -4.22 120.64 114.84 1r2u n GLU 40 Ca 0.02 -1.83 -0.07 0.00 -0.42 0.00 0.00 57.16 54.86 1r2u n GLU 40 Cb 0.36 -1.40 0.08 0.00 -0.57 0.00 0.00 31.44 29.91 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r2u h LEU 41 N 2.96 0.96 -2.00 -4.62 6.46 -1.15 -1.73 115.31 116.19 1r2u h LEU 41 Ca 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1r2u h LEU 41 Cb 0.69 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1r2u h LEU 41 CO 0.01 0.98 0.00 1.23 -0.62 0.00 0.00 178.44 180.04 1r2u h GLY 42 N 1.02 0.00 0.80 3.75 0.00 -1.82 -1.32 103.07 105.50 1r2u h GLY 42 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.24 1r2u h GLY 42 CO 0.02 0.00 -1.31 1.70 0.00 0.00 0.00 176.54 176.94 1r2u h LYS 43 N 0.00 0.35 -0.15 4.80 1.63 -1.60 -2.83 116.57 118.77 1r2u h LYS 43 Ca 0.00 -0.60 -0.18 0.00 -0.85 0.00 0.00 60.65 59.02 1r2u h LYS 43 Cb 0.08 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1r2u h LYS 43 CO 0.00 1.29 -0.66 -0.39 -3.45 0.00 0.00 179.45 176.24 1r2u h VAL 44 N -0.16 1.33 -0.02 2.00 -1.51 -1.28 -2.86 116.25 113.75 1r2u h VAL 44 Ca -0.25 -1.95 -0.14 0.00 -1.23 0.00 0.00 66.70 63.13 1r2u h VAL 44 Cb 1.87 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 32.94 1r2u h VAL 44 CO 0.15 0.60 -0.61 0.24 -1.23 0.00 0.00 177.57 176.72 1r2u h MET 45 N 0.41 0.08 -0.56 5.19 2.86 -1.41 -1.77 114.93 119.74 1r2u h MET 45 Ca -0.02 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1r2u h MET 45 Cb 1.24 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1r2u h MET 45 CO 0.12 0.67 0.13 -0.09 1.06 0.00 0.00 176.91 178.81 1r2u h ARG 46 N 0.06 0.91 -0.03 1.72 2.43 -1.44 -2.67 114.38 115.35 1r2u h ARG 46 Ca -0.01 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.81 1r2u h ARG 46 Cb 1.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1r2u h ARG 46 CO 0.09 0.85 -0.60 0.52 -1.51 0.00 0.00 179.97 179.31 1r2u h MET 47 N 0.81 0.12 -0.58 0.20 2.86 -1.39 -3.21 114.93 113.74 1r2u h MET 47 Ca 0.18 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1r2u h MET 47 Cb 0.35 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1r2u h MET 47 CO 0.00 0.69 0.28 1.25 1.06 0.00 0.00 176.91 180.19 1r2u h LEU 48 N 0.09 0.37 0.00 1.22 7.12 -0.97 -3.46 115.31 119.67 1r2u h LEU 48 Ca -0.01 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1r2u h LEU 48 Cb 1.09 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1r2u h LEU 48 CO 0.09 0.24 0.00 0.61 -0.13 0.00 0.00 178.44 179.25 1r2u n GLY 49 N -1.27 1.13 3.92 3.75 0.00 -1.15 -5.11 105.19 106.46 1r2u n GLY 49 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 1.94 -0.46 1.61 1.11 -1.18 -5.01 119.66 117.67 1r2u s GLN 50 Ca 0.00 -0.16 0.06 0.00 0.01 0.00 0.00 55.36 55.27 1r2u s GLN 50 Cb 0.00 -2.06 0.20 0.00 -1.01 0.00 0.00 33.01 30.14 1r2u s GLN 50 CO 0.00 -1.49 0.59 -1.71 0.01 0.00 0.00 175.29 172.68 1r2u n ASN 51 N -3.15 -1.86 -2.13 5.90 2.85 -1.26 -3.82 115.26 111.79 1r2u n ASN 51 Ca 0.09 -2.75 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 1r2u n ASN 51 Cb 0.61 0.64 0.00 0.00 1.24 0.00 0.00 39.78 42.26 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 2.53 0.36 -3.45 1.20 -0.04 -1.26 -5.11 135.00 129.22 1r2u n PRO 52 Ca 0.21 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 1r2u n PRO 52 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.54 2.98 0.29 0.52 -4.23 -1.26 -4.97 115.64 108.42 1r2u s THR 53 Ca 0.00 -1.23 0.19 0.00 -1.18 0.00 0.00 61.69 59.47 1r2u s THR 53 Cb 0.00 -3.05 0.17 0.00 1.34 0.00 0.00 72.50 70.95 1r2u s THR 53 CO 0.00 -0.04 1.85 1.55 -0.54 0.00 0.00 174.62 177.44 1r2u h PRO 54 N 0.95 0.00 0.25 3.99 0.13 -1.99 -1.70 132.00 133.63 1r2u h PRO 54 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 1r2u h PRO 54 Cb 1.27 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.44 1r2u h PRO 54 CO 0.54 0.30 -1.46 0.93 -0.23 0.00 0.00 178.00 178.08 1r2u h GLU 55 N 0.00 0.53 0.69 0.86 5.08 -1.99 -2.78 114.58 116.98 1r2u h GLU 55 Ca -0.00 -0.91 -0.03 0.00 -1.00 0.00 0.00 59.36 57.42 1r2u h GLU 55 Cb 0.68 0.34 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1r2u h GLU 55 CO 0.04 1.43 -0.33 1.49 -1.00 0.00 0.00 179.01 180.64 1r2u h GLU 56 N 0.12 -0.90 0.00 2.33 4.57 -1.92 -2.81 114.58 115.97 1r2u h GLU 56 Ca -0.26 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1r2u h GLU 56 Cb 2.15 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 30.94 1r2u h GLU 56 CO 0.27 -0.57 -0.03 1.37 -1.18 0.00 0.00 179.01 178.87 1r2u h LEU 57 N -1.05 0.00 -0.40 1.64 8.10 -1.46 -2.61 115.31 119.53 1r2u h LEU 57 Ca -0.10 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.95 1r2u h LEU 57 Cb 0.74 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.91 1r2u h LEU 57 CO 0.16 0.03 0.12 -0.61 -4.11 0.00 0.00 178.44 174.03 1r2u h GLN 58 N 0.00 0.27 -0.50 0.17 -0.00 -1.22 -0.73 115.11 113.10 1r2u h GLN 58 Ca -0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1r2u h GLN 58 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 1r2u h GLN 58 CO 0.00 0.18 0.07 0.93 0.00 0.00 0.00 178.83 180.01 1r2u h GLU 59 N 0.28 0.79 -0.57 1.69 5.08 -1.41 -2.80 114.58 117.62 1r2u h GLU 59 Ca 0.19 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1r2u h GLU 59 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1r2u h GLU 59 CO -0.21 0.75 0.23 0.52 -1.00 0.00 0.00 179.01 179.30 1r2u h MET 60 N 0.75 0.86 0.06 2.33 2.86 -1.31 -1.40 114.93 119.06 1r2u h MET 60 Ca 0.16 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 60 Cb 0.36 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1r2u h MET 60 CO 0.01 0.74 -0.05 0.82 1.06 0.00 0.00 176.91 179.48 1r2u h ILE 61 N 0.79 0.00 -0.81 -1.22 2.04 -0.90 -1.03 117.51 116.37 1r2u h ILE 61 Ca 0.19 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.24 1r2u h ILE 61 Cb 0.20 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1r2u h ILE 61 CO -0.02 0.00 0.55 0.44 0.00 0.00 0.00 178.15 179.12 1r2u h ASP 62 N -0.11 0.30 -0.14 1.72 3.32 -1.59 0.29 116.42 120.21 1r2u h ASP 62 Ca -0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1r2u h ASP 62 Cb 0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1r2u h ASP 62 CO -0.00 0.13 0.07 -0.33 -1.72 0.00 0.00 179.24 177.38 1r2u h GLU 63 N 0.30 0.20 0.00 3.56 4.39 -0.95 -2.91 114.58 119.17 1r2u h GLU 63 Ca 0.41 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1r2u h GLU 63 Cb 1.13 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1r2u h GLU 63 CO -0.11 0.26 -0.27 1.33 -1.16 0.00 0.00 179.01 179.06 1r2u n VAL 64 N -4.91 0.36 -2.03 3.13 0.24 -0.42 -4.70 118.33 110.01 1r2u n VAL 64 Ca -0.05 -0.21 -0.26 0.00 -2.04 0.00 0.00 64.34 61.78 1r2u n VAL 64 Cb 0.10 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 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 -4.03 5.08 0.16 -1.34 -1.08 0.93 -4.65 116.67 111.73 1r2u s ASP 65 Ca 0.10 -0.63 -0.03 0.00 -0.52 0.00 0.00 52.55 51.46 1r2u s ASP 65 Cb 0.14 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1r2u s ASP 65 CO 0.64 -2.80 1.40 -0.33 0.52 0.00 0.00 175.17 174.61 1r2u h GLU 66 N 11.38 0.46 0.10 4.34 5.08 -1.85 -3.34 114.58 130.77 1r2u h GLU 66 Ca 0.09 -0.39 -0.32 0.00 -1.00 0.00 0.00 59.36 57.74 1r2u h GLU 66 Cb 1.01 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1r2u h GLU 66 CO 1.20 1.03 -1.74 0.38 -1.00 0.00 0.00 179.01 178.88 1r2u h ASP 67 N 0.31 0.34 -2.47 1.42 3.04 -1.96 -3.49 116.42 113.61 1r2u h ASP 67 Ca -0.04 -0.85 -0.09 0.00 -3.24 0.00 0.00 57.03 52.82 1r2u h ASP 67 Cb 1.35 -0.11 0.04 0.00 -1.04 0.00 0.00 39.33 39.56 1r2u h ASP 67 CO 0.13 1.74 -0.17 0.61 -2.04 0.00 0.00 179.24 179.52 1r2u n GLY 68 N 1.83 0.45 0.10 7.15 0.00 -1.26 -5.00 105.19 108.46 1r2u n GLY 68 Ca -0.30 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.42 1.86 0.00 1.61 3.41 -1.26 -5.03 113.62 113.79 1r2u n SER 69 Ca -0.03 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1r2u n SER 69 Cb 0.53 -0.90 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 1.47 0.59 3.66 5.00 0.00 -1.26 -5.14 105.19 109.50 1r2u n GLY 70 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 3.84 -0.35 2.61 -4.23 -1.26 -1.96 115.64 114.29 1r2u s THR 71 Ca 0.00 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.34 1r2u s THR 71 Cb 0.00 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.02 1r2u s THR 71 CO 0.00 0.13 0.21 -0.69 -0.54 0.00 0.00 174.62 173.73 1r2u s VAL 72 N -1.28 4.92 0.87 2.29 1.01 0.10 -4.81 120.40 123.51 1r2u s VAL 72 Ca 0.24 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1r2u s VAL 72 Cb -0.12 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 32.86 1r2u s VAL 72 CO 0.17 -0.06 1.19 -1.81 0.00 0.00 0.00 175.10 174.59 1r2u s ASP 73 N 1.65 3.54 0.35 3.32 1.11 -1.26 -1.38 116.67 123.99 1r2u s ASP 73 Ca 0.05 -0.09 0.08 0.00 0.18 0.00 0.00 52.55 52.77 1r2u s ASP 73 Cb -0.18 -0.05 0.65 0.00 1.07 0.00 0.00 42.92 44.41 1r2u s ASP 73 CO 0.08 -2.43 1.84 0.15 1.18 0.00 0.00 175.17 175.99 1r2u h PHE 74 N -1.20 0.31 -0.51 4.23 3.57 -1.98 0.24 116.94 121.60 1r2u h PHE 74 Ca -0.40 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 1r2u h PHE 74 Cb 1.24 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1r2u h PHE 74 CO -0.84 0.47 0.08 -0.44 -2.23 0.00 0.00 178.31 175.36 1r2u h ASP 75 N 0.27 0.75 1.43 0.41 3.32 -1.99 0.25 116.42 120.87 1r2u h ASP 75 Ca 0.05 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1r2u h ASP 75 Cb 0.50 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1r2u h ASP 75 CO 0.03 0.77 -0.59 -0.33 -1.72 0.00 0.00 179.24 177.40 1r2u h GLU 76 N 0.76 0.00 0.09 3.56 5.08 -1.70 -2.96 114.58 119.42 1r2u h GLU 76 Ca 0.16 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 76 Cb 0.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1r2u h GLU 76 CO 0.01 0.23 -1.18 0.35 -1.00 0.00 0.00 179.01 177.41 1r2u h PHE 77 N 0.00 0.95 -0.05 4.33 3.57 0.15 -3.30 116.94 122.60 1r2u h PHE 77 Ca -0.03 -0.58 -0.24 0.00 3.53 0.00 0.00 57.97 60.65 1r2u h PHE 77 Cb 1.24 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.91 1r2u h PHE 77 CO 0.00 1.42 -0.93 -0.07 -2.23 0.00 0.00 178.31 176.50 1r2u h LEU 78 N 0.28 0.81 -2.13 0.59 3.38 -0.61 -3.22 115.31 114.42 1r2u h LEU 78 Ca -0.17 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.25 1r2u h LEU 78 Cb 1.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1r2u h LEU 78 CO 0.22 1.41 0.16 -0.37 0.09 0.00 0.00 178.44 179.95 1r2u h VAL 79 N 0.39 0.71 -1.02 1.22 -1.51 -1.63 -2.23 116.25 112.18 1r2u h VAL 79 Ca -0.09 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.64 1r2u h VAL 79 Cb 1.57 0.88 -0.08 0.00 -2.13 0.00 0.00 31.29 31.53 1r2u h VAL 79 CO 0.18 0.00 0.67 0.24 -1.23 0.00 0.00 177.57 177.43 1r2u h MET 80 N 0.00 0.33 0.00 5.19 2.86 -1.63 0.77 114.93 122.45 1r2u h MET 80 Ca 0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 80 Cb 0.40 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1r2u h MET 80 CO -0.00 0.22 -0.01 0.52 1.06 0.00 0.00 176.91 178.69 1r2u h MET 81 N 0.34 0.00 0.00 1.72 2.07 -1.62 -3.35 114.93 114.09 1r2u h MET 81 Ca 0.56 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 58.12 1r2u h MET 81 Cb 1.53 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.25 1r2u h MET 81 CO -0.23 0.87 -0.30 -0.39 1.07 0.00 0.00 176.91 177.94 1r2u h VAL 82 N -1.00 0.88 0.00 -2.22 -1.51 -1.49 -2.78 116.25 108.14 1r2u h VAL 82 Ca -0.00 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.29 1r2u h VAL 82 Cb 0.87 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1r2u h VAL 82 CO -0.00 0.29 -0.08 0.08 -1.23 0.00 0.00 177.57 176.63 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 0.11 0.41 -1.97 114.38 118.12 1r2u h ARG 83 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1r2u h ARG 83 Cb 0.67 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 1r2u h ARG 83 CO 0.04 0.08 -0.19 0.00 0.10 0.00 0.00 179.97 179.99 1r2u h MET 85 N 0.00 0.90 -5.06 0.00 4.05 -1.51 -3.38 114.93 109.92 1r2u h MET 85 Ca -0.00 -0.05 -0.66 0.00 -0.28 0.00 0.00 59.70 58.70 1r2u h MET 85 Cb 0.64 -0.20 -0.29 0.00 -0.80 0.00 0.00 31.60 30.95 1r2u h MET 85 CO 0.02 0.59 -0.76 -1.59 0.23 0.00 0.00 176.91 175.41 1r2u s LYS 86 N -6.01 3.30 -0.08 0.39 -2.85 -1.16 -4.94 119.74 108.38 1r2u s LYS 86 Ca -0.12 -0.68 0.07 0.00 -1.00 0.00 0.00 55.97 54.24 1r2u s LYS 86 Cb 0.20 -2.85 0.16 0.00 -2.06 0.00 0.00 37.83 33.28 1r2u s LYS 86 CO 0.79 -0.13 1.14 -3.47 0.10 0.00 0.00 175.35 173.78 1r2u n ASP 87 N 4.55 -0.73 0.00 0.03 2.03 -1.26 -4.95 116.55 116.22 1r2u n ASP 87 Ca -0.19 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.08 1r2u n ASP 87 Cb 0.51 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r2u n ASP 88 N -0.27 -2.38 0.00 1.67 -0.08 -1.26 -5.21 116.55 109.02 1r2u n ASP 88 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1r2u n ASP 88 Cb 0.80 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.26 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12