#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t n ASP 2 N 0.00 1.53 -4.37 6.55 5.75 -1.26 -4.83 116.55 119.92 1h0t n ASP 2 Ca 0.00 -1.54 -0.36 0.00 -0.01 0.00 0.00 54.79 52.88 1h0t n ASP 2 Cb 0.00 -0.02 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 1h0t n ASP 2 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1h0t s ASN 3 N -1.91 4.65 0.00 -1.12 -0.87 -1.26 -5.03 114.94 109.41 1h0t s ASN 3 Ca 0.37 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 1h0t s ASN 3 Cb 0.20 -1.81 0.00 0.00 -0.02 0.00 0.00 41.25 39.62 1h0t s ASN 3 CO 0.32 -0.02 0.00 1.17 -2.57 0.00 0.00 177.10 176.00 1h0t n LYS 4 N 4.79 0.00 0.27 -0.60 4.81 -1.26 -4.39 118.16 121.78 1h0t n LYS 4 Ca -0.17 0.08 0.15 0.00 -0.87 0.00 0.00 58.31 57.49 1h0t n LYS 4 Cb 0.51 -0.41 0.88 0.00 0.02 0.00 0.00 35.03 36.03 1h0t n LYS 4 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1h0t h PHE 5 N 0.00 0.00 0.01 5.64 0.04 -1.96 0.54 116.94 121.21 1h0t h PHE 5 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1h0t h PHE 5 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1h0t h PHE 5 CO 0.00 0.00 -0.15 -0.91 -0.60 0.00 0.00 178.31 176.65 1h0t h ASN 6 N 0.00 -0.44 0.38 2.17 4.21 -1.93 -1.75 115.58 118.22 1h0t h ASN 6 Ca 0.02 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1h0t h ASN 6 Cb 0.12 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1h0t h ASN 6 CO -0.00 -0.21 -0.88 1.17 -1.29 0.00 0.00 177.43 176.22 1h0t n LYS 7 N -5.29 0.16 -0.14 0.81 4.81 -1.05 -3.50 118.16 113.96 1h0t n LYS 7 Ca -0.05 -0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 1h0t n LYS 7 Cb 0.20 -1.55 -0.01 0.00 0.02 0.00 0.00 35.03 33.69 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1h0t h GLU 8 N 0.00 0.90 -0.70 1.64 4.39 -0.71 0.71 114.58 120.82 1h0t h GLU 8 Ca 0.00 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 1h0t h GLU 8 Cb 0.63 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1h0t h GLU 8 CO 0.00 1.06 0.25 1.96 -1.16 0.00 0.00 179.01 181.13 1h0t h GLN 9 N 0.73 1.04 -0.18 2.33 1.08 -1.46 0.64 115.11 119.29 1h0t h GLN 9 Ca 0.09 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1h0t h GLN 9 Cb 0.81 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1h0t h GLN 9 CO 0.07 0.87 0.04 0.37 -0.95 0.00 0.00 178.83 179.23 1h0t h GLN 10 N 1.02 0.28 -0.24 1.46 5.75 -1.42 0.50 115.11 122.46 1h0t h GLN 10 Ca 0.23 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1h0t h GLN 10 Cb 0.23 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1h0t h GLN 10 CO -0.02 0.42 -0.22 -0.97 -2.65 0.00 0.00 178.83 175.40 1h0t h ASN 11 N 0.09 0.60 -0.52 -0.69 -1.24 0.72 -0.04 115.58 114.51 1h0t h ASN 11 Ca 0.06 -0.47 -0.06 0.00 0.71 0.00 0.00 56.30 56.54 1h0t h ASN 11 Cb 0.27 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1h0t h ASN 11 CO 0.00 0.94 0.10 0.00 -1.29 0.00 0.00 177.43 177.19 1h0t h ALA 12 N 0.68 0.68 0.63 1.57 0.00 0.31 0.40 119.26 123.53 1h0t h ALA 12 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1h0t h ALA 12 Cb 0.77 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h0t h ALA 12 CO 0.05 0.40 -0.37 0.35 0.00 0.00 0.00 179.25 179.69 1h0t h PHE 13 N 0.73 -0.96 0.04 0.00 3.57 0.05 0.29 116.94 120.65 1h0t h PHE 13 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1h0t h PHE 13 Cb 0.37 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1h0t h PHE 13 CO 0.03 -0.56 -0.28 -0.92 -2.23 0.00 0.00 178.31 174.34 1h0t h TYR 14 N -0.93 -0.77 -0.86 0.41 3.20 -0.85 -1.01 116.97 116.16 1h0t h TYR 14 Ca -0.08 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1h0t h TYR 14 Cb 0.75 0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.29 1h0t h TYR 14 CO -0.08 -0.38 0.53 0.93 -1.64 0.00 0.00 178.16 177.52 1h0t h GLU 15 N -0.45 0.94 -0.39 1.82 4.39 -0.08 0.52 114.58 121.33 1h0t h GLU 15 Ca 0.05 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1h0t h GLU 15 Cb 0.52 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1h0t h GLU 15 CO -0.22 0.62 0.10 0.82 -1.16 0.00 0.00 179.01 179.17 1h0t h ILE 16 N 0.96 0.84 -0.45 3.13 2.04 0.28 0.63 117.51 124.94 1h0t h ILE 16 Ca 0.38 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 66.06 1h0t h ILE 16 Cb 0.18 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1h0t h ILE 16 CO -0.18 0.04 -0.11 -0.07 0.00 0.00 0.00 178.15 177.83 1h0t h LEU 17 N 0.24 0.80 -1.07 1.44 3.38 0.11 -3.09 115.31 117.12 1h0t h LEU 17 Ca 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h0t h LEU 17 Cb 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1h0t h LEU 17 CO -0.22 0.93 0.00 1.41 0.09 0.00 0.00 178.44 180.65 1h0t n HIS 18 N -4.16 0.12 -2.14 1.13 8.25 0.17 -4.94 115.22 113.64 1h0t n HIS 18 Ca 0.01 -0.06 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 1h0t n HIS 18 Cb 0.37 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 1h0t n HIS 18 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h0t s LEU 19 N -1.76 4.22 0.46 2.41 1.43 0.21 -4.93 118.68 120.72 1h0t s LEU 19 Ca 0.35 2.55 0.23 0.00 -1.03 0.00 0.00 54.13 56.23 1h0t s LEU 19 Cb 0.19 -3.92 1.09 0.00 0.03 0.00 0.00 46.19 43.58 1h0t s LEU 19 CO 0.30 -0.77 1.92 1.55 0.23 0.00 0.00 176.35 179.58 1h0t h PRO 20 N 2.72 0.00 0.00 1.29 0.13 -1.92 -3.29 132.00 130.93 1h0t h PRO 20 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 20 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h0t h PRO 20 CO 0.63 0.22 0.00 0.09 -0.23 0.00 0.00 178.00 178.71 1h0t n ASN 21 N -3.63 1.60 -4.71 1.44 4.13 -1.26 -5.01 115.26 107.82 1h0t n ASN 21 Ca -0.01 -1.65 -0.42 0.00 1.68 0.00 0.00 54.58 54.18 1h0t n ASN 21 Cb 0.35 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1h0t s LEU 22 N -0.65 4.36 0.00 3.41 1.43 -1.24 -4.81 118.68 121.18 1h0t s LEU 22 Ca 0.00 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1h0t s LEU 22 Cb 0.00 -3.50 0.04 0.00 0.03 0.00 0.00 46.19 42.76 1h0t s LEU 22 CO 0.00 -0.23 0.30 -0.46 0.23 0.00 0.00 176.35 176.18 1h0t n ASN 23 N 3.86 1.44 -0.31 2.29 0.23 -1.26 -4.74 115.26 116.77 1h0t n ASN 23 Ca 0.05 -1.84 0.02 0.00 -0.53 0.00 0.00 54.58 52.28 1h0t n ASN 23 Cb 0.51 -0.11 0.21 0.00 -2.08 0.00 0.00 39.78 38.30 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1h0t h GLU 24 N 0.00 1.08 -0.16 -3.83 4.57 -1.97 0.27 114.58 114.54 1h0t h GLU 24 Ca -0.15 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1h0t h GLU 24 Cb 0.61 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1h0t h GLU 24 CO 0.23 0.72 -0.21 1.49 -1.18 0.00 0.00 179.01 180.05 1h0t h GLU 25 N 1.12 0.43 0.18 1.92 4.81 -1.98 -2.29 114.58 118.76 1h0t h GLU 25 Ca 0.37 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1h0t h GLU 25 Cb 0.07 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1h0t h GLU 25 CO -0.12 0.83 -0.09 1.96 -0.73 0.00 0.00 179.01 180.86 1h0t h GLN 26 N 0.07 -0.23 -0.47 1.92 1.08 -1.86 -2.63 115.11 112.98 1h0t h GLN 26 Ca 0.02 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1h0t h GLN 26 Cb 0.77 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.21 1h0t h GLN 26 CO 0.05 0.16 0.23 -0.09 -0.95 0.00 0.00 178.83 178.23 1h0t h ARG 27 N -0.91 0.45 -0.05 1.46 2.43 -0.60 -0.68 114.38 116.47 1h0t h ARG 27 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1h0t h ARG 27 Cb 0.50 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1h0t h ARG 27 CO 0.04 0.29 0.01 -0.97 -1.51 0.00 0.00 179.97 177.83 1h0t h ASN 28 N 0.46 0.09 -0.54 -3.80 -0.73 -1.53 -0.57 115.58 108.95 1h0t h ASN 28 Ca 0.21 -0.27 0.04 0.00 1.87 0.00 0.00 56.30 58.15 1h0t h ASN 28 Cb 0.13 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1h0t h ASN 28 CO -0.15 0.34 0.36 0.00 -0.37 0.00 0.00 177.43 177.60 1h0t h ALA 29 N 0.75 1.76 -0.30 1.57 0.00 -1.36 0.74 119.26 122.42 1h0t h ALA 29 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1h0t h ALA 29 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h0t h ALA 29 CO 0.00 0.17 0.00 0.74 0.00 0.00 0.00 179.25 180.16 1h0t h PHE 30 N 0.59 0.57 0.00 0.00 -1.00 -0.83 -0.12 116.94 116.15 1h0t h PHE 30 Ca 0.22 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 1h0t h PHE 30 Cb 0.14 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 1h0t h PHE 30 CO -0.00 0.66 -0.16 0.82 -1.61 0.00 0.00 178.31 178.01 1h0t h ILE 31 N 0.32 0.94 -0.08 -0.55 2.04 0.02 0.58 117.51 120.78 1h0t h ILE 31 Ca 0.08 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1h0t h ILE 31 Cb 0.43 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1h0t h ILE 31 CO 0.01 0.16 -0.17 1.56 0.00 0.00 0.00 178.15 179.71 1h0t h GLN 32 N 0.00 0.25 0.00 2.37 4.20 -0.16 0.34 115.11 122.11 1h0t h GLN 32 Ca -0.00 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 1h0t h GLN 32 Cb 0.33 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1h0t h GLN 32 CO 0.02 0.77 -0.39 0.66 -0.67 0.00 0.00 178.83 179.23 1h0t h SER 33 N -0.23 0.00 0.01 1.46 4.64 -0.54 -2.06 113.55 116.83 1h0t h SER 33 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1h0t h SER 33 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1h0t h SER 33 CO 0.04 0.39 -0.09 0.25 -0.87 0.00 0.00 176.83 176.55 1h0t h LEU 34 N 0.00 0.06 -1.59 5.97 5.85 0.21 -0.71 115.31 125.09 1h0t h LEU 34 Ca -0.00 -0.95 -0.04 0.00 0.84 0.00 0.00 57.88 57.73 1h0t h LEU 34 Cb 0.70 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1h0t h LEU 34 CO 0.05 1.00 -0.12 0.11 -0.34 0.00 0.00 178.44 179.13 1h0t h LYS 35 N -0.88 0.10 0.10 1.25 1.57 -0.33 -2.94 116.57 115.45 1h0t h LYS 35 Ca -0.01 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 1h0t h LYS 35 Cb 1.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1h0t h LYS 35 CO 0.02 0.24 -1.65 -0.44 -0.57 0.00 0.00 179.45 177.05 1h0t h ASP 36 N 0.10 0.32 -3.72 0.86 3.32 -1.47 -3.44 116.42 112.39 1h0t h ASP 36 Ca 0.02 -0.52 -0.68 0.00 0.02 0.00 0.00 57.03 55.88 1h0t h ASP 36 Cb 0.29 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 39.39 1h0t h ASP 36 CO 0.02 1.44 -0.69 -0.62 -1.72 0.00 0.00 179.24 177.67 1h0t s ASP 37 N -6.82 4.87 0.07 6.45 -1.08 -0.27 -5.00 116.67 114.89 1h0t s ASP 37 Ca -0.11 -1.58 -0.18 0.00 -0.52 0.00 0.00 52.55 50.17 1h0t s ASP 37 Cb 0.07 -1.70 -0.11 0.00 -1.46 0.00 0.00 42.92 39.72 1h0t s ASP 37 CO 0.83 -0.32 1.40 1.55 0.52 0.00 0.00 175.17 179.15 1h0t h PRO 38 N 7.91 0.51 -0.11 4.34 0.13 -1.85 -3.28 132.00 139.66 1h0t h PRO 38 Ca -0.17 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1h0t h PRO 38 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1h0t h PRO 38 CO 0.55 0.82 -0.26 0.77 -0.23 0.00 0.00 178.00 179.65 1h0t h SER 39 N 0.20 0.18 0.00 1.44 0.02 -1.94 -2.79 113.55 110.67 1h0t h SER 39 Ca 0.04 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1h0t h SER 39 Cb 0.71 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1h0t h SER 39 CO 0.05 0.45 0.00 1.67 -1.14 0.00 0.00 176.83 177.86 1h0t n GLN 40 N -4.17 0.97 -0.08 3.45 7.27 -1.24 -4.28 117.38 119.30 1h0t n GLN 40 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.99 1h0t n GLN 40 Cb 0.36 -1.44 -0.00 0.00 2.41 0.00 0.00 30.24 31.56 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1h0t h SER 41 N 0.00 -0.24 -0.39 1.69 4.64 -1.58 0.54 113.55 118.21 1h0t h SER 41 Ca 0.00 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1h0t h SER 41 Cb 0.00 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1h0t h SER 41 CO 0.00 -0.08 0.23 0.00 -0.87 0.00 0.00 176.83 176.11 1h0t h ALA 42 N 1.29 0.50 -0.70 5.18 0.00 -1.82 0.56 119.26 124.27 1h0t h ALA 42 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1h0t h ALA 42 Cb 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1h0t h ALA 42 CO -0.29 0.01 0.46 -0.91 0.00 0.00 0.00 179.25 178.52 1h0t h ASN 43 N 0.51 0.66 -0.42 0.00 -0.26 -1.69 0.37 115.58 114.75 1h0t h ASN 43 Ca 0.14 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.81 1h0t h ASN 43 Cb 0.03 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1h0t h ASN 43 CO -0.02 0.44 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.70 1h0t h LEU 44 N 0.76 0.74 -0.36 1.61 3.38 0.12 0.62 115.31 122.18 1h0t h LEU 44 Ca 0.30 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1h0t h LEU 44 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1h0t h LEU 44 CO -0.09 0.87 -0.13 0.25 0.09 0.00 0.00 178.44 179.43 1h0t h LEU 45 N 0.58 0.74 -0.48 1.67 5.85 0.10 0.34 115.31 124.12 1h0t h LEU 45 Ca 0.12 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1h0t h LEU 45 Cb 0.50 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1h0t h LEU 45 CO 0.02 0.96 0.22 0.00 -0.34 0.00 0.00 178.44 179.30 1h0t h ALA 46 N 0.80 0.60 -0.18 1.25 0.00 0.06 0.85 119.26 122.64 1h0t h ALA 46 Ca 0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 46 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1h0t h ALA 46 CO 0.04 -0.15 -0.41 1.05 0.00 0.00 0.00 179.25 179.79 1h0t h GLU 47 N 0.43 0.42 -0.61 0.00 4.11 0.40 0.83 114.58 120.16 1h0t h GLU 47 Ca 0.21 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.34 1h0t h GLU 47 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1h0t h GLU 47 CO -0.17 0.76 0.00 0.00 0.07 0.00 0.00 179.01 179.67 1h0t h ALA 48 N 1.22 0.85 -0.25 1.06 0.00 0.86 0.65 119.26 123.64 1h0t h ALA 48 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1h0t h ALA 48 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1h0t h ALA 48 CO 0.07 0.67 -0.44 0.87 0.00 0.00 0.00 179.25 180.43 1h0t h LYS 49 N 0.98 0.62 -0.75 0.00 1.57 0.11 0.20 116.57 119.30 1h0t h LYS 49 Ca 0.17 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1h0t h LYS 49 Cb 0.56 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1h0t h LYS 49 CO 0.03 0.93 0.32 -0.22 -0.57 0.00 0.00 179.45 179.94 1h0t h LYS 50 N 0.50 1.10 -0.25 3.15 3.64 0.12 -1.64 116.57 123.19 1h0t h LYS 50 Ca 0.04 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 1h0t h LYS 50 Cb 0.96 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1h0t h LYS 50 CO 0.09 0.88 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.65 1h0t h LEU 51 N 1.08 0.66 -0.60 5.20 4.07 0.94 -0.22 115.31 126.44 1h0t h LEU 51 Ca 0.25 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.96 1h0t h LEU 51 Cb 0.18 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1h0t h LEU 51 CO -0.02 1.00 0.34 -1.13 -1.08 0.00 0.00 178.44 177.54 1h0t h ASN 52 N 0.50 0.51 0.26 -0.43 -1.24 0.29 0.46 115.58 115.93 1h0t h ASN 52 Ca 0.04 0.02 -0.33 0.00 0.71 0.00 0.00 56.30 56.74 1h0t h ASN 52 Cb 0.95 -0.08 0.04 0.00 0.73 0.00 0.00 38.32 39.95 1h0t h ASN 52 CO 0.08 0.35 -1.42 0.44 -1.29 0.00 0.00 177.43 175.59 1h0t h ASP 53 N 0.64 0.83 -0.22 1.15 3.32 -1.28 -1.91 116.42 118.95 1h0t h ASP 53 Ca 0.26 -0.86 -0.05 0.00 0.02 0.00 0.00 57.03 56.39 1h0t h ASP 53 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1h0t h ASP 53 CO -0.15 1.67 -0.07 0.00 -1.72 0.00 0.00 179.24 178.98 1h0t h ALA 54 N 0.21 0.30 -0.00 3.45 0.00 -0.83 -2.91 119.26 119.48 1h0t h ALA 54 Ca -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1h0t h ALA 54 Cb 2.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1h0t h ALA 54 CO 0.27 0.10 -0.06 1.04 0.00 0.00 0.00 179.25 180.60 1h0t n GLN 55 N -4.58 0.32 -1.82 0.00 6.02 0.16 -4.90 117.38 112.58 1h0t n GLN 55 Ca -0.04 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.54 1h0t n GLN 55 Cb 0.30 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.11 1h0t n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h0t s ALA 56 N -2.71 2.41 0.30 -1.58 0.00 -0.72 -4.94 121.76 114.52 1h0t s ALA 56 Ca 0.23 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.24 1h0t s ALA 56 Cb 0.20 -3.46 0.47 0.00 0.00 0.00 0.00 23.12 20.33 1h0t s ALA 56 CO 0.50 -1.40 1.69 -1.00 0.00 0.00 0.00 175.76 175.56 1h0t h PRO 57 N 0.49 0.14 0.00 0.00 0.13 -1.88 -3.49 132.00 127.39 1h0t h PRO 57 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1h0t h PRO 57 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1h0t h PRO 57 CO 0.53 0.58 0.00 1.17 -0.23 0.00 0.00 178.00 180.06