#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t s ASP 2 N 0.00 5.46 -0.34 4.52 1.47 -1.26 -5.01 116.67 121.51 1h0t s ASP 2 Ca 0.00 1.41 0.08 0.00 1.18 0.00 0.00 52.55 55.22 1h0t s ASP 2 Cb 0.00 -2.29 0.45 0.00 -0.34 0.00 0.00 42.92 40.74 1h0t s ASP 2 CO 0.00 -1.36 1.14 0.59 0.68 0.00 0.00 175.17 176.22 1h0t n ASN 3 N -3.06 4.43 -2.28 2.11 4.13 -1.26 -4.83 115.26 114.51 1h0t n ASN 3 Ca 0.07 -3.56 -0.30 0.00 1.68 0.00 0.00 54.58 52.47 1h0t n ASN 3 Cb 0.55 -0.40 0.04 0.00 -1.54 0.00 0.00 39.78 38.43 1h0t n ASN 3 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1h0t n LYS 4 N -0.58 3.17 0.00 3.52 2.85 -1.26 -4.62 118.16 121.24 1h0t n LYS 4 Ca 0.38 -3.83 0.00 0.00 -1.05 0.00 0.00 58.31 53.81 1h0t n LYS 4 Cb 0.84 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 1h0t n LYS 4 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1h0t n PHE 5 N -0.74 -0.03 0.12 5.58 3.72 -1.26 -4.66 117.46 120.19 1h0t n PHE 5 Ca 0.51 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.79 1h0t n PHE 5 Cb 0.75 0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 39.31 1h0t n PHE 5 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1h0t h ASN 6 N 0.00 -0.57 0.80 4.37 -0.73 -1.91 -1.82 115.58 115.72 1h0t h ASN 6 Ca 0.00 0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.13 1h0t h ASN 6 Cb 0.00 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1h0t h ASN 6 CO 0.00 -0.29 -0.47 0.50 -0.37 0.00 0.00 177.43 176.80 1h0t h LYS 7 N -0.40 0.00 -0.98 6.67 3.64 -1.91 -2.72 116.57 120.87 1h0t h LYS 7 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1h0t h LYS 7 Cb 0.41 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1h0t h LYS 7 CO -0.10 0.47 0.64 0.93 -2.27 0.00 0.00 179.45 179.12 1h0t h GLU 8 N 0.00 1.16 -0.65 1.90 4.39 -1.69 1.10 114.58 120.79 1h0t h GLU 8 Ca -0.00 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1h0t h GLU 8 Cb 1.00 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1h0t h GLU 8 CO 0.06 0.77 0.05 1.96 -1.16 0.00 0.00 179.01 180.69 1h0t h GLN 9 N 1.19 1.11 -0.18 2.33 4.20 -1.15 0.49 115.11 123.10 1h0t h GLN 9 Ca 0.41 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1h0t h GLN 9 Cb 0.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1h0t h GLN 9 CO -0.14 1.04 0.08 0.37 -0.67 0.00 0.00 178.83 179.51 1h0t h GLN 10 N 1.02 0.27 -0.17 1.46 5.75 -0.36 0.52 115.11 123.60 1h0t h GLN 10 Ca 0.19 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1h0t h GLN 10 Cb 0.51 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1h0t h GLN 10 CO 0.02 0.32 -0.21 -0.97 -2.65 0.00 0.00 178.83 175.35 1h0t h ASN 11 N 0.15 0.47 -0.63 -0.69 -1.24 0.12 0.18 115.58 113.94 1h0t h ASN 11 Ca 0.06 -0.50 -0.03 0.00 0.71 0.00 0.00 56.30 56.54 1h0t h ASN 11 Cb 0.15 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1h0t h ASN 11 CO -0.01 0.88 0.28 0.00 -1.29 0.00 0.00 177.43 177.30 1h0t h ALA 12 N 0.60 0.82 0.58 1.57 0.00 0.04 0.39 119.26 123.26 1h0t h ALA 12 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h0t h ALA 12 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1h0t h ALA 12 CO 0.05 0.41 -0.35 0.35 0.00 0.00 0.00 179.25 179.72 1h0t h PHE 13 N 0.88 -0.91 -0.22 0.00 3.57 0.11 0.31 116.94 120.68 1h0t h PHE 13 Ca 0.21 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1h0t h PHE 13 Cb 0.16 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1h0t h PHE 13 CO 0.01 -0.53 -0.15 -0.92 -2.23 0.00 0.00 178.31 174.48 1h0t h TYR 14 N -0.87 -0.38 -0.62 0.41 3.20 -0.69 -1.01 116.97 117.00 1h0t h TYR 14 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1h0t h TYR 14 Cb 0.70 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1h0t h TYR 14 CO -0.09 -0.22 0.37 0.93 -1.64 0.00 0.00 178.16 177.50 1h0t h GLU 15 N -0.15 0.85 -0.54 1.82 4.39 -0.05 0.46 114.58 121.36 1h0t h GLU 15 Ca 0.12 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1h0t h GLU 15 Cb 0.34 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1h0t h GLU 15 CO -0.31 0.62 0.16 0.82 -1.16 0.00 0.00 179.01 179.15 1h0t h ILE 16 N 0.84 0.76 -0.36 3.13 2.04 0.29 0.43 117.51 124.65 1h0t h ILE 16 Ca 0.22 -0.11 -0.16 0.00 1.00 0.00 0.00 64.86 65.81 1h0t h ILE 16 Cb -0.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1h0t h ILE 16 CO -0.04 0.06 -0.41 -0.07 0.00 0.00 0.00 178.15 177.69 1h0t h LEU 17 N 0.33 0.95 -0.60 1.44 3.38 -0.57 -3.17 115.31 117.07 1h0t h LEU 17 Ca 0.27 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1h0t h LEU 17 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1h0t h LEU 17 CO -0.30 1.23 0.00 1.41 0.09 0.00 0.00 178.44 180.87 1h0t n HIS 18 N -4.05 0.06 -2.17 1.13 8.25 0.15 -4.90 115.22 113.70 1h0t n HIS 18 Ca -0.02 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 1h0t n HIS 18 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.78 4.41 0.56 2.41 1.43 0.14 -4.92 118.68 120.94 1h0t s LEU 19 Ca 0.36 2.47 0.36 0.00 -1.03 0.00 0.00 54.13 56.29 1h0t s LEU 19 Cb 0.18 -3.61 1.66 0.00 0.03 0.00 0.00 46.19 44.45 1h0t s LEU 19 CO 0.29 -0.56 2.08 1.55 0.23 0.00 0.00 176.35 179.94 1h0t h PRO 20 N 5.26 0.00 0.00 1.29 0.13 -1.90 -3.22 132.00 133.55 1h0t h PRO 20 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h0t h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1h0t h PRO 20 CO 0.77 0.00 -0.06 0.09 -0.23 0.00 0.00 178.00 178.57 1h0t n ASN 21 N -3.02 1.74 -4.76 1.44 4.13 -1.26 -5.03 115.26 108.50 1h0t n ASN 21 Ca -0.00 -2.42 -0.38 0.00 1.68 0.00 0.00 54.58 53.45 1h0t n ASN 21 Cb 0.22 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 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 -1.67 4.39 0.00 3.41 1.43 -1.22 -4.70 118.68 120.32 1h0t s LEU 22 Ca 0.15 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.36 1h0t s LEU 22 Cb 0.13 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1h0t s LEU 22 CO 0.01 0.10 0.54 -0.46 0.23 0.00 0.00 176.35 176.77 1h0t n ASN 23 N 2.85 1.79 -0.27 2.29 6.94 -1.26 -4.81 115.26 122.80 1h0t n ASN 23 Ca -0.08 -2.24 -0.06 0.00 -0.02 0.00 0.00 54.58 52.18 1h0t n ASN 23 Cb 0.51 -0.25 0.06 0.00 -2.36 0.00 0.00 39.78 37.74 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1h0t h GLU 24 N 0.00 1.09 -0.47 -3.83 4.22 -1.98 0.24 114.58 113.86 1h0t h GLU 24 Ca -0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 59.36 59.03 1h0t h GLU 24 Cb 0.96 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1h0t h GLU 24 CO 0.33 0.86 0.20 1.49 -2.18 0.00 0.00 179.01 179.71 1h0t h GLU 25 N 1.06 0.70 0.05 1.92 4.81 -1.98 0.56 114.58 121.70 1h0t h GLU 25 Ca 0.26 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1h0t h GLU 25 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1h0t h GLU 25 CO -0.03 0.62 -0.02 1.96 -0.73 0.00 0.00 179.01 180.80 1h0t h GLN 26 N 0.62 -0.06 -0.05 1.92 1.08 -1.90 -2.74 115.11 113.98 1h0t h GLN 26 Ca 0.16 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1h0t h GLN 26 Cb 0.17 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1h0t h GLN 26 CO -0.02 0.56 0.02 -0.09 -0.95 0.00 0.00 178.83 178.36 1h0t h ARG 27 N -0.78 0.08 -0.43 1.46 1.12 -0.55 -1.96 114.38 113.31 1h0t h ARG 27 Ca -0.01 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.80 1h0t h ARG 27 Cb 0.65 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.58 1h0t h ARG 27 CO 0.01 0.19 0.06 -0.97 -3.11 0.00 0.00 179.97 176.15 1h0t h ASN 28 N -0.05 0.69 -0.79 -3.80 -1.24 -1.03 -1.05 115.58 108.32 1h0t h ASN 28 Ca 0.02 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.79 1h0t h ASN 28 Cb 0.14 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1h0t h ASN 28 CO -0.00 0.79 0.52 0.00 -1.29 0.00 0.00 177.43 177.45 1h0t h ALA 29 N 0.93 1.50 -0.41 1.57 0.00 -1.48 0.82 119.26 122.19 1h0t h ALA 29 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h0t h ALA 29 Cb 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1h0t h ALA 29 CO 0.01 0.43 0.10 0.74 0.00 0.00 0.00 179.25 180.53 1h0t h PHE 30 N 1.00 0.68 0.00 0.00 0.04 -0.97 -0.16 116.94 117.53 1h0t h PHE 30 Ca 0.31 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 1h0t h PHE 30 Cb -0.00 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1h0t h PHE 30 CO -0.00 0.65 -0.12 0.82 -0.60 0.00 0.00 178.31 179.06 1h0t h ILE 31 N 0.52 0.91 0.05 -0.55 2.04 0.02 0.67 117.51 121.16 1h0t h ILE 31 Ca 0.13 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1h0t h ILE 31 Cb 0.31 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1h0t h ILE 31 CO 0.00 0.12 -0.02 1.56 0.00 0.00 0.00 178.15 179.81 1h0t h GLN 32 N 0.00 -0.06 0.00 2.37 4.20 0.11 0.71 115.11 122.44 1h0t h GLN 32 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1h0t h GLN 32 Cb 0.24 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h0t h GLN 32 CO 0.02 0.53 -0.28 0.66 -0.67 0.00 0.00 178.83 179.08 1h0t h SER 33 N -0.71 0.00 0.08 1.46 4.64 -0.72 -2.10 113.55 116.21 1h0t h SER 33 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1h0t h SER 33 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1h0t h SER 33 CO 0.01 0.28 -0.53 0.25 -0.87 0.00 0.00 176.83 175.97 1h0t h LEU 34 N 0.00 0.33 -0.56 5.97 5.85 0.33 -1.21 115.31 126.03 1h0t h LEU 34 Ca -0.00 -0.93 -0.13 0.00 0.84 0.00 0.00 57.88 57.66 1h0t h LEU 34 Cb 0.50 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1h0t h LEU 34 CO 0.04 1.23 -0.28 0.11 -0.34 0.00 0.00 178.44 179.20 1h0t h LYS 35 N -0.51 0.85 0.17 1.25 1.57 -0.83 -3.23 116.57 115.84 1h0t h LYS 35 Ca -0.09 -0.38 -0.30 0.00 -1.87 0.00 0.00 60.65 58.01 1h0t h LYS 35 Cb 1.38 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.69 1h0t h LYS 35 CO 0.10 1.03 -1.32 -0.44 -0.57 0.00 0.00 179.45 178.24 1h0t h ASP 36 N 0.73 0.56 -3.71 0.86 3.32 -1.51 -3.43 116.42 113.23 1h0t h ASP 36 Ca 0.08 -0.60 -0.68 0.00 0.02 0.00 0.00 57.03 55.86 1h0t h ASP 36 Cb 0.83 -0.18 -0.36 0.00 0.22 0.00 0.00 39.33 39.84 1h0t h ASP 36 CO 0.07 1.47 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.75 1h0t s ASP 37 N -7.29 4.84 0.11 6.45 -1.08 -0.45 -4.99 116.67 114.26 1h0t s ASP 37 Ca -0.06 -1.67 -0.13 0.00 -0.52 0.00 0.00 52.55 50.17 1h0t s ASP 37 Cb 0.06 -1.68 -0.08 0.00 -1.46 0.00 0.00 42.92 39.76 1h0t s ASP 37 CO 0.90 -0.33 1.42 1.55 0.52 0.00 0.00 175.17 179.23 1h0t h PRO 38 N 7.87 0.80 0.00 4.34 0.13 -1.82 -3.27 132.00 140.04 1h0t h PRO 38 Ca -0.15 -0.45 -0.06 0.00 -0.87 0.00 0.00 66.00 64.46 1h0t h PRO 38 Cb 1.04 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1h0t h PRO 38 CO 0.55 1.09 -0.30 0.66 -0.23 0.00 0.00 178.00 179.76 1h0t h SER 39 N 0.56 0.00 0.09 1.44 4.64 -1.92 -2.69 113.55 115.67 1h0t h SER 39 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h0t h SER 39 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1h0t h SER 39 CO 0.09 0.30 -0.02 0.00 -0.87 0.00 0.00 176.83 176.33 1h0t n GLN 40 N -4.01 1.09 -0.11 4.77 3.00 -1.23 -4.36 117.38 116.53 1h0t n GLN 40 Ca -0.02 -0.29 -0.06 0.00 -0.01 0.00 0.00 57.00 56.62 1h0t n GLN 40 Cb 0.36 -1.49 0.02 0.00 0.00 0.00 0.00 30.24 29.13 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1h0t h SER 41 N 0.71 0.04 -0.22 1.08 4.64 -1.54 0.28 113.55 118.53 1h0t h SER 41 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1h0t h SER 41 Cb 0.21 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1h0t h SER 41 CO 0.00 0.06 0.15 0.00 -0.87 0.00 0.00 176.83 176.16 1h0t h ALA 42 N 1.26 0.28 -0.89 5.18 0.00 -1.81 0.87 119.26 124.15 1h0t h ALA 42 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1h0t h ALA 42 Cb 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1h0t h ALA 42 CO -0.21 -0.23 0.58 -0.91 0.00 0.00 0.00 179.25 178.47 1h0t h ASN 43 N 0.30 0.88 -0.61 0.00 4.21 -1.75 0.36 115.58 118.96 1h0t h ASN 43 Ca 0.08 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1h0t h ASN 43 Cb -0.03 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 36.97 1h0t h ASN 43 CO -0.02 0.56 0.18 -0.07 -1.29 0.00 0.00 177.43 176.79 1h0t h LEU 44 N 1.00 0.90 -0.08 1.61 3.38 0.60 0.67 115.31 123.39 1h0t h LEU 44 Ca 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1h0t h LEU 44 Cb 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1h0t h LEU 44 CO -0.15 0.88 -0.02 0.25 0.09 0.00 0.00 178.44 179.49 1h0t h LEU 45 N 0.88 0.15 -0.71 1.67 5.85 0.29 0.17 115.31 123.62 1h0t h LEU 45 Ca 0.20 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1h0t h LEU 45 Cb 0.31 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1h0t h LEU 45 CO -0.00 0.49 0.29 0.00 -0.34 0.00 0.00 178.44 178.88 1h0t h ALA 46 N 0.67 0.97 -0.24 1.25 0.00 0.18 1.15 119.26 123.23 1h0t h ALA 46 Ca 0.02 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1h0t h ALA 46 Cb 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1h0t h ALA 46 CO 0.01 -0.17 -0.41 1.05 0.00 0.00 0.00 179.25 179.73 1h0t h GLU 47 N 0.47 0.58 -0.59 0.00 4.11 0.46 0.86 114.58 120.48 1h0t h GLU 47 Ca 0.37 -0.30 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 1h0t h GLU 47 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1h0t h GLU 47 CO -0.35 0.89 0.03 0.00 0.07 0.00 0.00 179.01 179.65 1h0t h ALA 48 N 1.07 0.94 -0.52 1.06 0.00 0.14 0.45 119.26 122.40 1h0t h ALA 48 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1h0t h ALA 48 Cb 0.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1h0t h ALA 48 CO 0.08 0.64 0.08 0.87 0.00 0.00 0.00 179.25 180.93 1h0t h LYS 49 N 0.93 0.87 -0.81 0.00 1.79 0.18 0.27 116.57 119.80 1h0t h LYS 49 Ca 0.17 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1h0t h LYS 49 Cb 0.50 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1h0t h LYS 49 CO 0.02 0.86 0.50 -0.22 -1.08 0.00 0.00 179.45 179.53 1h0t h LYS 50 N 0.75 1.08 -0.11 3.15 3.64 0.12 -1.62 116.57 123.59 1h0t h LYS 50 Ca 0.16 -0.08 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 1h0t h LYS 50 Cb 0.41 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1h0t h LYS 50 CO 0.01 0.74 -0.82 -0.07 -2.27 0.00 0.00 179.45 177.04 1h0t h LEU 51 N 1.10 0.91 -1.03 5.20 4.07 0.66 -0.64 115.31 125.57 1h0t h LEU 51 Ca 0.29 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1h0t h LEU 51 Cb -0.08 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.35 1h0t h LEU 51 CO -0.06 1.43 0.60 -0.55 -1.08 0.00 0.00 178.44 178.79 1h0t h ASN 52 N 0.45 1.10 0.24 -0.43 -1.07 0.00 0.27 115.58 116.15 1h0t h ASN 52 Ca -0.07 -0.04 -0.34 0.00 0.07 0.00 0.00 56.30 55.91 1h0t h ASN 52 Cb 1.46 -0.28 0.03 0.00 -2.07 0.00 0.00 38.32 37.46 1h0t h ASN 52 CO 0.17 0.82 -1.59 0.44 0.07 0.00 0.00 177.43 177.33 1h0t h ASP 53 N 1.29 0.75 0.07 6.14 3.32 -1.34 -2.40 116.42 124.24 1h0t h ASP 53 Ca 0.34 -0.91 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 1h0t h ASP 53 Cb -0.11 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.19 1h0t h ASP 53 CO -0.07 1.74 -0.03 0.00 -1.72 0.00 0.00 179.24 179.15 1h0t h ALA 54 N 0.15 -0.09 0.00 3.45 0.00 -0.97 -3.05 119.26 118.75 1h0t h ALA 54 Ca -0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1h0t h ALA 54 Cb 2.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1h0t h ALA 54 CO 0.24 -0.33 -0.18 1.96 0.00 0.00 0.00 179.25 180.94 1h0t h GLN 55 N -0.54 0.00 -6.98 0.00 4.20 -0.64 -3.45 115.11 107.71 1h0t h GLN 55 Ca -0.01 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 1h0t h GLN 55 Cb 0.47 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.42 1h0t h GLN 55 CO 0.02 0.18 0.16 0.00 -0.67 0.00 0.00 178.83 178.52 1h0t n ALA 56 N -2.29 -0.05 -1.76 3.87 0.00 -0.90 -4.85 120.51 114.53 1h0t n ALA 56 Ca -0.01 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1h0t n ALA 56 Cb 0.31 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1h0t n ALA 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h0t n PRO 57 N -1.90 2.30 0.00 0.00 -0.04 -1.26 -4.99 135.00 129.11 1h0t n PRO 57 Ca 0.13 -2.47 0.06 0.00 -0.04 0.00 0.00 63.50 61.19 1h0t n PRO 57 Cb 0.49 -3.28 0.05 0.00 -0.04 0.00 0.00 33.50 30.72 1h0t n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09