#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u n ASN 2 N 0.00 0.00 0.00 7.83 5.03 -1.26 -5.10 115.26 121.76 1r2u n ASN 2 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1r2u n ASN 2 Cb 0.00 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1r2u n ASP 3 N -1.10 0.00 0.18 6.41 -0.08 -1.26 -4.95 116.55 115.74 1r2u n ASP 3 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 1r2u n ASP 3 Cb 0.00 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.67 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1r2u h ILE 4 N 0.00 0.70 -0.07 5.18 -2.65 -1.98 -2.73 117.51 115.95 1r2u h ILE 4 Ca 0.00 -1.71 -0.10 0.00 1.03 0.00 0.00 64.86 64.08 1r2u h ILE 4 Cb 0.00 2.13 -0.01 0.00 -2.05 0.00 0.00 36.82 36.89 1r2u h ILE 4 CO 0.00 0.36 -0.42 1.88 0.03 0.00 0.00 178.15 179.99 1r2u h TYR 5 N 0.00 0.20 0.17 0.16 0.05 -1.92 0.21 116.97 115.82 1r2u h TYR 5 Ca -0.00 -0.05 -0.30 0.00 0.05 0.00 0.00 58.73 58.42 1r2u h TYR 5 Cb 1.10 -0.04 0.02 0.00 1.01 0.00 0.00 36.73 38.82 1r2u h TYR 5 CO 0.00 0.57 -1.31 0.87 -1.05 0.00 0.00 178.16 177.23 1r2u h LYS 6 N 0.14 0.48 0.00 4.88 1.79 -1.93 -1.23 116.57 120.70 1r2u h LYS 6 Ca 0.01 -0.74 -0.13 0.00 -2.18 0.00 0.00 60.65 57.61 1r2u h LYS 6 Cb 0.81 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1r2u h LYS 6 CO 0.06 1.34 -0.63 0.00 -1.08 0.00 0.00 179.45 179.14 1r2u h ALA 7 N 0.36 0.81 0.00 3.86 0.00 -1.35 -3.20 119.26 119.74 1r2u h ALA 7 Ca -0.19 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 1r2u h ALA 7 Cb 2.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1r2u h ALA 7 CO 0.24 0.79 -1.07 0.00 0.00 0.00 0.00 179.25 179.21 1r2u h ALA 8 N 1.37 0.65 -0.63 0.00 0.00 -0.64 -3.35 119.26 116.66 1r2u h ALA 8 Ca -0.01 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.34 1r2u h ALA 8 Cb 1.22 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1r2u h ALA 8 CO 0.08 0.75 0.42 -0.24 0.00 0.00 0.00 179.25 180.26 1r2u h VAL 9 N 0.00 0.92 0.00 0.00 3.04 -1.21 0.10 116.25 119.11 1r2u h VAL 9 Ca -0.10 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1r2u h VAL 9 Cb 1.47 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1r2u h VAL 9 CO 0.05 0.09 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.25 1r2u h GLU 10 N 0.50 0.00 0.17 4.17 4.39 -1.69 -3.21 114.58 118.90 1r2u h GLU 10 Ca 0.29 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.69 1r2u h GLU 10 Cb 0.47 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1r2u h GLU 10 CO -0.09 0.12 -1.32 1.96 -1.16 0.00 0.00 179.01 178.52 1r2u h GLN 11 N 0.00 0.44 -7.11 2.33 1.08 -0.99 -3.46 115.11 107.40 1r2u h GLN 11 Ca -0.00 -0.70 -0.55 0.00 -1.45 0.00 0.00 58.65 55.95 1r2u h GLN 11 Cb 0.87 0.25 0.17 0.00 -0.05 0.00 0.00 27.48 28.72 1r2u h GLN 11 CO 0.02 1.32 0.43 1.28 -0.95 0.00 0.00 178.83 180.93 1r2u n LEU 12 N -3.66 5.44 -4.98 1.46 4.77 -0.76 -5.02 117.00 114.25 1r2u n LEU 12 Ca -0.12 0.76 -0.20 0.00 -0.03 0.00 0.00 56.01 56.42 1r2u n LEU 12 Cb 1.04 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1r2u n LEU 12 CO 0.57 -1.25 0.15 0.42 -1.33 0.00 0.00 177.39 175.95 1r2u s THR 13 N -1.58 3.90 0.37 -5.08 -4.23 -1.26 -5.00 115.64 102.75 1r2u s THR 13 Ca 0.80 -0.82 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1r2u s THR 13 Cb -0.36 -3.38 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1r2u s THR 13 CO 0.43 -0.19 1.87 -0.78 -0.54 0.00 0.00 174.62 175.41 1r2u h ASP 14 N 0.67 0.17 -0.82 3.99 3.58 -1.98 -2.74 116.42 119.29 1r2u h ASP 14 Ca -0.45 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1r2u h ASP 14 Cb 1.26 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.22 1r2u h ASP 14 CO 0.54 0.41 0.46 -0.33 -2.88 0.00 0.00 179.24 177.44 1r2u h GLU 15 N 0.16 1.13 -0.23 0.28 3.07 -1.98 0.11 114.58 117.12 1r2u h GLU 15 Ca 0.03 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1r2u h GLU 15 Cb 0.50 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1r2u h GLU 15 CO 0.03 0.82 0.15 1.96 -1.40 0.00 0.00 179.01 180.57 1r2u h GLN 16 N 1.13 0.31 0.00 2.33 1.08 -1.89 -1.48 115.11 116.59 1r2u h GLN 16 Ca 0.29 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.39 1r2u h GLN 16 Cb 0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1r2u h GLN 16 CO -0.05 0.24 -0.33 0.87 -0.95 0.00 0.00 178.83 178.61 1r2u h LYS 17 N 0.30 0.00 -0.34 1.46 6.56 -1.43 -1.10 116.57 122.02 1r2u h LYS 17 Ca 0.08 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 1r2u h LYS 17 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1r2u h LYS 17 CO -0.02 0.33 0.01 -0.91 -2.06 0.00 0.00 179.45 176.80 1r2u h ASN 18 N 0.00 0.57 -0.20 0.86 2.35 -0.12 0.43 115.58 119.47 1r2u h ASN 18 Ca -0.00 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 1r2u h ASN 18 Cb 0.70 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1r2u h ASN 18 CO 0.04 0.73 -0.13 -0.33 -1.65 0.00 0.00 177.43 176.09 1r2u h GLU 19 N 0.40 0.43 -0.72 0.81 5.08 -1.10 -1.60 114.58 117.89 1r2u h GLU 19 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 19 Cb 0.43 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1r2u h GLU 19 CO 0.01 0.75 0.46 0.74 -1.00 0.00 0.00 179.01 179.97 1r2u h PHE 20 N 0.11 0.91 -0.11 4.33 -1.00 -1.12 0.31 116.94 120.38 1r2u h PHE 20 Ca 0.04 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1r2u h PHE 20 Cb 0.64 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 1r2u h PHE 20 CO 0.07 0.59 0.03 -0.22 -1.61 0.00 0.00 178.31 177.17 1r2u h LYS 21 N 0.97 0.18 -0.46 1.51 1.63 -0.10 0.25 116.57 120.56 1r2u h LYS 21 Ca 0.26 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1r2u h LYS 21 Cb -0.09 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1r2u h LYS 21 CO -0.05 0.35 0.16 0.00 -3.45 0.00 0.00 179.45 176.46 1r2u h ALA 22 N 0.82 0.59 0.00 5.00 0.00 -1.09 0.25 119.26 124.84 1r2u h ALA 22 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r2u h ALA 22 Cb 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1r2u h ALA 22 CO 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 1r2u h ALA 23 N 1.01 1.23 0.00 0.00 0.00 -0.28 -1.74 119.26 119.48 1r2u h ALA 23 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r2u h ALA 23 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1r2u h ALA 23 CO -0.01 0.09 -0.36 0.35 0.00 0.00 0.00 179.25 179.32 1r2u h PHE 24 N 0.00 0.00 -0.88 0.00 3.57 -0.10 -3.37 116.94 116.16 1r2u h PHE 24 Ca -0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1r2u h PHE 24 Cb 0.26 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1r2u h PHE 24 CO 0.00 0.54 0.57 -0.44 -2.23 0.00 0.00 178.31 176.75 1r2u h ASP 25 N -1.00 0.69 -0.84 0.41 5.19 -0.44 -0.54 116.42 119.89 1r2u h ASP 25 Ca -0.07 0.03 0.11 0.00 -0.62 0.00 0.00 57.03 56.49 1r2u h ASP 25 Cb 0.62 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 1r2u h ASP 25 CO -0.04 0.37 0.55 0.16 -3.12 0.00 0.00 179.24 177.16 1r2u h ILE 26 N 0.75 0.91 0.00 0.35 3.07 -1.49 -1.13 117.51 119.97 1r2u h ILE 26 Ca 0.43 -0.25 -0.25 0.00 1.55 0.00 0.00 64.86 66.33 1r2u h ILE 26 Cb 0.60 0.10 -0.04 0.00 -0.27 0.00 0.00 36.82 37.21 1r2u h ILE 26 CO -0.19 0.14 -1.40 -0.26 -1.05 0.00 0.00 178.15 175.38 1r2u h PHE 27 N 0.74 0.00 -0.65 0.16 0.04 -1.42 -3.33 116.94 112.48 1r2u h PHE 27 Ca 0.40 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.74 1r2u h PHE 27 Cb 0.54 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.50 1r2u h PHE 27 CO -0.00 0.95 0.56 -0.89 -0.60 0.00 0.00 178.31 178.33 1r2u n ILE 28 N -3.14 2.99 0.10 -0.55 2.08 -0.32 -4.38 119.36 116.13 1r2u n ILE 28 Ca -0.10 -1.98 -0.06 0.00 0.56 0.00 0.00 62.75 61.17 1r2u n ILE 28 Cb 0.99 -1.20 0.03 0.00 -0.75 0.00 0.00 39.64 38.71 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 1.53 0.09 -0.15 0.38 3.07 -1.49 -3.37 115.11 115.16 1r2u h GLN 29 Ca 0.40 -0.09 -0.19 0.00 0.09 0.00 0.00 58.65 58.86 1r2u h GLN 29 Cb 1.04 0.02 -0.32 0.00 0.08 0.00 0.00 27.48 28.31 1r2u h GLN 29 CO 1.01 0.84 -0.84 -0.25 0.09 0.00 0.00 178.83 179.68 1r2u n ASP 30 N -3.65 0.52 -4.77 0.06 8.00 -1.26 -5.12 116.55 110.33 1r2u n ASP 30 Ca -0.02 -2.04 -0.34 0.00 0.71 0.00 0.00 54.79 53.10 1r2u n ASP 30 Cb 0.76 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.77 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r2u s ALA 31 N -1.35 2.56 -0.02 2.24 0.00 -1.26 -4.98 121.76 118.95 1r2u s ALA 31 Ca 0.23 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 1r2u s ALA 31 Cb 0.32 -3.35 -0.26 0.00 0.00 0.00 0.00 23.12 19.83 1r2u s ALA 31 CO -0.09 -1.07 1.03 0.93 0.00 0.00 0.00 175.76 176.56 1r2u h GLU 32 N 0.58 0.33 0.02 0.00 4.39 -1.98 -3.39 114.58 114.54 1r2u h GLU 32 Ca -0.48 -0.41 -0.39 0.00 0.34 0.00 0.00 59.36 58.42 1r2u h GLU 32 Cb 1.26 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1r2u h GLU 32 CO 0.55 1.11 -2.40 -0.25 -1.16 0.00 0.00 179.01 176.86 1r2u n ASP 33 N -4.25 2.00 0.00 1.42 9.92 -1.26 -5.03 116.55 119.35 1r2u n ASP 33 Ca -0.11 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1r2u n ASP 33 Cb 0.68 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 2.21 0.96 3.73 0.44 0.00 -1.26 -5.16 105.19 106.11 1r2u n GLY 34 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.46 0.00 -3.41 0.00 -6.64 -0.64 -4.83 119.36 103.38 1r2u n ILE 36 Ca -0.04 -1.14 -0.38 0.00 -1.77 0.00 0.00 62.75 59.43 1r2u n ILE 36 Cb 0.60 -0.71 -0.06 0.00 -1.44 0.00 0.00 39.64 38.03 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -3.10 6.66 0.20 7.28 0.15 -1.26 -0.44 113.70 123.18 1r2u s SER 37 Ca 0.35 0.78 -0.11 0.00 0.70 0.00 0.00 55.95 57.67 1r2u s SER 37 Cb -0.03 -2.25 0.17 0.00 -1.71 0.00 0.00 66.02 62.20 1r2u s SER 37 CO 0.22 0.10 1.82 0.71 1.20 0.00 0.00 173.24 177.29 1r2u h THR 38 N 4.49 1.04 0.00 6.45 1.35 -1.53 -0.46 112.91 124.24 1r2u h THR 38 Ca -0.43 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1r2u h THR 38 Cb 1.18 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1r2u h THR 38 CO 0.72 0.13 0.00 0.07 -0.25 0.00 0.00 175.52 176.20 1r2u h LYS 39 N 0.72 0.00 -0.65 4.72 2.10 -1.94 -2.54 116.57 118.98 1r2u h LYS 39 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1r2u h LYS 39 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1r2u h LYS 39 CO -0.13 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.71 1r2u n GLU 40 N -2.82 2.71 -1.80 0.07 1.02 -0.24 -4.76 120.64 114.81 1r2u n GLU 40 Ca 0.00 -2.55 -0.42 0.00 -0.02 0.00 0.00 57.16 54.18 1r2u n GLU 40 Cb 0.24 -1.53 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1r2u n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r2u n LEU 41 N 1.50 6.39 0.04 -4.62 7.94 -0.87 -3.56 117.00 123.83 1r2u n LEU 41 Ca 0.22 -4.02 0.00 0.00 -1.11 0.00 0.00 56.01 51.11 1r2u n LEU 41 Cb 0.60 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1r2u n LEU 41 CO 0.16 0.86 0.00 0.61 -1.11 0.00 0.00 177.39 177.90 1r2u n GLY 42 N 4.31 -0.68 0.24 -3.96 0.00 -1.26 -4.85 105.19 98.99 1r2u n GLY 42 Ca 0.51 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.76 1r2u n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1r2u h LYS 43 N 0.00 0.00 -0.05 1.61 2.10 -1.95 -3.05 116.57 115.23 1r2u h LYS 43 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1r2u h LYS 43 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1r2u h LYS 43 CO 0.00 0.08 -0.69 -0.39 -2.00 0.00 0.00 179.45 176.45 1r2u h VAL 44 N 0.00 1.42 0.00 0.07 -1.51 -1.91 -2.99 116.25 111.34 1r2u h VAL 44 Ca -0.00 -2.18 -0.05 0.00 -1.23 0.00 0.00 66.70 63.24 1r2u h VAL 44 Cb 0.79 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 1r2u h VAL 44 CO 0.01 0.64 -0.23 0.24 -1.23 0.00 0.00 177.57 177.00 1r2u h MET 45 N 0.16 0.00 -0.77 5.19 2.86 -1.87 -3.14 114.93 117.36 1r2u h MET 45 Ca -0.02 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1r2u h MET 45 Cb 1.23 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 1r2u h MET 45 CO 0.11 0.23 0.50 0.00 1.06 0.00 0.00 176.91 178.80 1r2u h ARG 46 N 0.00 0.95 -0.44 1.72 3.08 -1.53 -0.75 114.38 117.41 1r2u h ARG 46 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1r2u h ARG 46 Cb 0.84 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1r2u h ARG 46 CO 0.03 0.63 0.25 0.52 -1.07 0.00 0.00 179.97 180.32 1r2u h MET 47 N 0.98 0.60 0.17 0.04 2.86 -1.65 -2.89 114.93 115.04 1r2u h MET 47 Ca 0.30 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1r2u h MET 47 Cb -0.02 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1r2u h MET 47 CO -0.10 0.44 -0.08 1.25 1.06 0.00 0.00 176.91 179.48 1r2u h LEU 48 N 0.61 -0.20 0.00 1.22 7.12 -1.36 -3.48 115.31 119.23 1r2u h LEU 48 Ca 0.16 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1r2u h LEU 48 Cb 0.01 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1r2u h LEU 48 CO -0.03 0.26 0.00 0.61 -0.13 0.00 0.00 178.44 179.15 1r2u n GLY 49 N 0.13 -0.40 3.25 3.75 0.00 -0.40 -5.13 105.19 106.39 1r2u n GLY 49 Ca -0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 0.64 -0.41 1.61 -0.21 -1.05 -5.00 119.66 115.23 1r2u s GLN 50 Ca 0.00 -0.04 0.07 0.00 0.02 0.00 0.00 55.36 55.40 1r2u s GLN 50 Cb 0.00 0.29 0.22 0.00 1.00 0.00 0.00 33.01 34.52 1r2u s GLN 50 CO 0.00 -0.16 0.50 -1.71 -2.12 0.00 0.00 175.29 171.80 1r2u n ASN 51 N 1.57 -0.43 -2.06 5.90 5.15 -1.26 -3.55 115.26 120.58 1r2u n ASN 51 Ca -0.20 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 1r2u n ASN 51 Cb 0.56 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 1.93 0.49 -3.42 1.20 -0.04 -1.26 -5.12 135.00 128.78 1r2u n PRO 52 Ca 0.23 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 1r2u n PRO 52 Cb 0.52 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.67 0.26 0.52 -4.23 -1.26 -4.97 115.64 108.30 1r2u s THR 53 Ca 0.00 -1.25 0.14 0.00 -1.18 0.00 0.00 61.69 59.39 1r2u s THR 53 Cb 0.00 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1r2u s THR 53 CO 0.00 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.32 1r2u h PRO 54 N 0.88 0.00 0.04 3.99 0.13 -1.99 -1.88 132.00 133.18 1r2u h PRO 54 Ca -0.40 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.47 1r2u h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.54 0.50 -1.33 1.05 -0.23 0.00 0.00 178.00 178.53 1r2u h GLU 55 N 0.00 0.09 0.29 0.86 4.11 -1.99 -2.98 114.58 114.96 1r2u h GLU 55 Ca -0.01 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.25 1r2u h GLU 55 Cb 0.96 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1r2u h GLU 55 CO 0.07 0.94 -0.14 1.49 0.07 0.00 0.00 179.01 181.44 1r2u h GLU 56 N 0.03 -0.37 0.00 1.06 4.57 -1.94 -3.12 114.58 114.81 1r2u h GLU 56 Ca -0.15 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1r2u h GLU 56 Cb 1.91 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.58 1r2u h GLU 56 CO 0.13 -0.02 -0.01 1.37 -1.18 0.00 0.00 179.01 179.30 1r2u h LEU 57 N -0.86 0.00 -0.53 1.64 8.10 -1.50 -2.13 115.31 120.03 1r2u h LEU 57 Ca -0.04 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.01 1r2u h LEU 57 Cb 0.52 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.69 1r2u h LEU 57 CO 0.06 0.01 0.25 -0.61 -4.11 0.00 0.00 178.44 174.04 1r2u h GLN 58 N 0.00 0.46 -0.79 0.17 -0.00 -1.46 -0.41 115.11 113.07 1r2u h GLN 58 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1r2u h GLN 58 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.35 1r2u h GLN 58 CO 0.00 0.30 0.34 0.93 0.00 0.00 0.00 178.83 180.41 1r2u h GLU 59 N 0.47 1.16 -0.58 1.69 5.08 -1.34 -2.80 114.58 118.27 1r2u h GLU 59 Ca 0.24 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1r2u h GLU 59 Cb 0.19 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1r2u h GLU 59 CO -0.19 0.93 0.29 0.52 -1.00 0.00 0.00 179.01 179.55 1r2u h MET 60 N 1.13 0.83 0.13 2.33 2.86 -1.25 -1.36 114.93 119.59 1r2u h MET 60 Ca 0.27 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1r2u h MET 60 Cb 0.18 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r2u h MET 60 CO -0.03 0.66 -0.11 0.82 1.06 0.00 0.00 176.91 179.31 1r2u h ILE 61 N 0.78 0.00 -0.88 -1.22 2.04 -0.86 0.30 117.51 117.67 1r2u h ILE 61 Ca 0.20 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.24 1r2u h ILE 61 Cb 0.10 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1r2u h ILE 61 CO -0.03 0.00 0.58 0.44 0.00 0.00 0.00 178.15 179.14 1r2u h ASP 62 N -0.24 0.50 -0.18 1.72 3.32 -1.56 0.27 116.42 120.26 1r2u h ASP 62 Ca -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1r2u h ASP 62 Cb 0.20 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1r2u h ASP 62 CO -0.01 0.23 0.07 -0.33 -1.72 0.00 0.00 179.24 177.48 1r2u h GLU 63 N 0.51 0.27 0.00 3.56 4.39 -0.96 -2.87 114.58 119.48 1r2u h GLU 63 Ca 0.45 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1r2u h GLU 63 Cb 0.97 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1r2u h GLU 63 CO -0.19 0.33 0.00 -0.39 -1.16 0.00 0.00 179.01 177.60 1r2u h VAL 64 N 0.14 0.00 -0.57 3.13 -1.51 0.15 -3.42 116.25 114.17 1r2u h VAL 64 Ca 0.06 -0.87 -0.22 0.00 -1.23 0.00 0.00 66.70 64.44 1r2u h VAL 64 Cb 0.16 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 1r2u h VAL 64 CO -0.01 0.00 0.58 -0.62 -1.23 0.00 0.00 177.57 176.29 1r2u s ASP 65 N -5.97 4.75 0.24 4.19 -1.08 0.86 -4.64 116.67 115.02 1r2u s ASP 65 Ca 0.06 -0.65 -0.02 0.00 -0.52 0.00 0.00 52.55 51.43 1r2u s ASP 65 Cb 0.06 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 1r2u s ASP 65 CO 0.64 -3.15 1.66 -0.33 0.52 0.00 0.00 175.17 174.51 1r2u h GLU 66 N 11.43 0.66 0.08 4.34 5.08 -1.84 -3.30 114.58 131.04 1r2u h GLU 66 Ca 0.09 -0.26 -0.37 0.00 -1.00 0.00 0.00 59.36 57.82 1r2u h GLU 66 Cb 1.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1r2u h GLU 66 CO 1.15 0.84 -2.09 -0.40 -1.00 0.00 0.00 179.01 177.51 1r2u n ASP 67 N -4.11 2.07 -1.53 1.42 5.68 -1.26 -5.02 116.55 113.79 1r2u n ASP 67 Ca -0.00 0.14 -0.05 0.00 -0.50 0.00 0.00 54.79 54.38 1r2u n ASP 67 Cb 0.42 -0.76 0.02 0.00 -1.14 0.00 0.00 41.12 39.67 1r2u n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r2u n GLY 68 N 2.01 0.33 0.12 6.12 0.00 -1.24 -5.00 105.19 107.53 1r2u n GLY 68 Ca -0.36 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.02 1.94 0.00 1.61 3.41 -1.26 -5.02 113.62 113.28 1r2u n SER 69 Ca -0.05 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1r2u n SER 69 Cb 0.54 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.51 0.53 3.49 5.00 0.00 -1.26 -5.13 105.19 109.32 1r2u n GLY 70 Ca -0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 2.88 -0.34 2.61 -4.23 -1.26 -1.38 115.64 113.92 1r2u s THR 71 Ca 0.00 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1r2u s THR 71 Cb 0.00 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1r2u s THR 71 CO 0.00 0.14 0.15 -0.69 -0.54 0.00 0.00 174.62 173.69 1r2u s VAL 72 N -1.11 4.36 0.79 2.29 1.01 0.42 -4.77 120.40 123.40 1r2u s VAL 72 Ca 0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1r2u s VAL 72 Cb -0.11 -3.35 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1r2u s VAL 72 CO 0.09 -0.08 1.08 0.47 0.00 0.00 0.00 175.10 176.66 1r2u n ASP 73 N 4.94 0.56 0.05 3.32 9.92 -1.26 -1.62 116.55 132.46 1r2u n ASP 73 Ca -0.13 -1.68 -0.01 0.00 -0.53 0.00 0.00 54.79 52.44 1r2u n ASP 73 Cb 0.47 -0.78 0.29 0.00 -0.64 0.00 0.00 41.12 40.45 1r2u n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1r2u h PHE 74 N -1.24 0.43 -0.50 1.24 3.57 -1.97 0.37 116.94 118.85 1r2u h PHE 74 Ca -0.35 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1r2u h PHE 74 Cb 1.09 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1r2u h PHE 74 CO 0.00 0.54 0.10 -0.44 -2.23 0.00 0.00 178.31 176.28 1r2u h ASP 75 N 0.37 0.71 1.41 0.41 3.32 -1.99 0.28 116.42 120.93 1r2u h ASP 75 Ca 0.07 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1r2u h ASP 75 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1r2u h ASP 75 CO 0.03 0.72 -0.61 -0.33 -1.72 0.00 0.00 179.24 177.33 1r2u h GLU 76 N 0.74 0.00 0.08 3.56 5.08 -1.68 -3.07 114.58 119.28 1r2u h GLU 76 Ca 0.16 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 1r2u h GLU 76 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1r2u h GLU 76 CO 0.00 0.28 -1.13 0.35 -1.00 0.00 0.00 179.01 177.51 1r2u h PHE 77 N 0.00 0.73 -0.08 4.33 3.57 0.50 -3.32 116.94 122.66 1r2u h PHE 77 Ca -0.03 -0.45 -0.23 0.00 3.53 0.00 0.00 57.97 60.79 1r2u h PHE 77 Cb 1.28 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.97 1r2u h PHE 77 CO 0.00 1.30 -0.86 -0.07 -2.23 0.00 0.00 178.31 176.45 1r2u h LEU 78 N 0.21 0.81 -2.19 0.59 3.38 -0.56 -3.21 115.31 114.35 1r2u h LEU 78 Ca -0.13 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.30 1r2u h LEU 78 Cb 1.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1r2u h LEU 78 CO 0.20 1.37 0.14 -0.37 0.09 0.00 0.00 178.44 179.87 1r2u h VAL 79 N 0.42 0.65 -0.92 1.22 -1.51 -1.65 -2.14 116.25 112.32 1r2u h VAL 79 Ca -0.07 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.64 1r2u h VAL 79 Cb 1.49 0.89 -0.05 0.00 -2.13 0.00 0.00 31.29 31.49 1r2u h VAL 79 CO 0.17 0.00 0.64 0.24 -1.23 0.00 0.00 177.57 177.38 1r2u h MET 80 N 0.00 0.17 0.00 5.19 2.86 -1.65 0.47 114.93 121.96 1r2u h MET 80 Ca 0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1r2u h MET 80 Cb 0.35 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1r2u h MET 80 CO -0.00 0.11 -0.06 0.52 1.06 0.00 0.00 176.91 178.54 1r2u h MET 81 N 0.17 0.00 -0.04 1.72 2.07 -1.61 -3.30 114.93 113.94 1r2u h MET 81 Ca 0.46 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 58.01 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 -0.09 0.92 -0.37 -0.39 1.07 0.00 0.00 176.91 178.05 1r2u h VAL 82 N -1.00 1.28 0.00 -2.22 -1.51 -1.50 -2.70 116.25 108.60 1r2u h VAL 82 Ca -0.02 -1.32 -0.04 0.00 -1.23 0.00 0.00 66.70 64.09 1r2u h VAL 82 Cb 0.93 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 1r2u h VAL 82 CO -0.01 0.38 -0.19 0.08 -1.23 0.00 0.00 177.57 176.61 1r2u h ARG 83 N 0.07 0.00 -0.04 5.19 -0.00 -0.22 -2.28 114.38 117.09 1r2u h ARG 83 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.92 1r2u h ARG 83 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.65 1r2u h ARG 83 CO 0.05 0.19 -0.27 0.00 -0.00 0.00 0.00 179.97 179.94 1r2u h MET 85 N 0.07 -0.63 -2.82 0.00 2.86 -1.51 -3.49 114.93 109.40 1r2u h MET 85 Ca 0.01 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 58.03 1r2u h MET 85 Cb 0.51 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.22 1r2u h MET 85 CO 0.04 -0.42 -0.56 1.63 1.06 0.00 0.00 176.91 178.66 1r2u n LYS 86 N -4.32 -2.58 -1.20 1.72 4.76 -1.22 -4.64 118.16 110.67 1r2u n LYS 86 Ca -0.08 1.78 -0.04 0.00 -2.87 0.00 0.00 58.31 57.10 1r2u n LYS 86 Cb 0.26 -3.12 0.13 0.00 -1.84 0.00 0.00 35.03 30.45 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1r2u n ASP 87 N -3.89 2.63 -2.25 4.39 5.68 -1.26 -4.94 116.55 116.91 1r2u n ASP 87 Ca -0.00 -3.62 -0.20 0.00 -0.50 0.00 0.00 54.79 50.46 1r2u n ASP 87 Cb 0.57 -0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1r2u n ASP 88 N -0.84 -5.69 0.00 -1.12 -0.08 -1.26 -5.27 116.55 102.29 1r2u n ASP 88 Ca 0.25 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1r2u n ASP 88 Cb 0.82 -4.72 0.00 0.00 2.34 0.00 0.00 41.12 39.56 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12