#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 6.54 -0.03 6.55 2.15 -1.26 -4.89 116.67 125.73 1h0t s ASP 2 Ca 0.00 0.21 0.17 0.00 0.43 0.00 0.00 52.55 53.36 1h0t s ASP 2 Cb 0.00 -2.47 0.54 0.00 -0.30 0.00 0.00 42.92 40.69 1h0t s ASP 2 CO 0.00 -1.07 1.44 0.59 -0.17 0.00 0.00 175.17 175.97 1h0t n ASN 3 N 7.25 3.40 0.00 -0.34 4.13 -1.26 -4.55 115.26 123.89 1h0t n ASN 3 Ca 0.07 -2.11 -0.00 0.00 1.68 0.00 0.00 54.58 54.22 1h0t n ASN 3 Cb 0.49 -0.43 -0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1h0t n ASN 3 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1h0t h LYS 4 N 3.42 -0.00 0.00 3.52 3.64 -1.99 -2.70 116.57 122.46 1h0t h LYS 4 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1h0t h LYS 4 Cb 0.92 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1h0t h LYS 4 CO 0.06 -0.00 -0.14 0.74 -2.27 0.00 0.00 179.45 177.84 1h0t h PHE 5 N -0.00 0.00 -0.19 1.91 0.04 -1.92 -0.62 116.94 116.16 1h0t h PHE 5 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 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 0.22 0.14 0.01 -0.91 -0.60 0.00 0.00 178.31 177.16 1h0t h ASN 6 N 0.00 -0.05 0.37 2.17 4.21 -1.79 -2.85 115.58 117.64 1h0t h ASN 6 Ca -0.00 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1h0t h ASN 6 Cb 0.27 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1h0t h ASN 6 CO 0.02 0.00 -0.73 1.17 -1.29 0.00 0.00 177.43 176.60 1h0t n LYS 7 N -5.12 0.06 -0.14 0.81 0.00 -1.02 -3.87 118.16 108.88 1h0t n LYS 7 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.20 1h0t n LYS 7 Cb 0.10 -1.52 0.07 0.00 0.00 0.00 0.00 35.03 33.67 1h0t n LYS 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h0t h GLU 8 N 0.00 0.92 -0.55 1.64 4.39 -0.89 0.67 114.58 120.75 1h0t h GLU 8 Ca 0.00 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 1h0t h GLU 8 Cb 0.55 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1h0t h GLU 8 CO 0.00 0.98 0.15 1.96 -1.16 0.00 0.00 179.01 180.94 1h0t h GLN 9 N 0.82 0.83 -0.06 2.33 4.20 -1.65 0.61 115.11 122.20 1h0t h GLN 9 Ca 0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1h0t h GLN 9 Cb 0.64 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1h0t h GLN 9 CO 0.04 0.73 0.00 0.37 -0.67 0.00 0.00 178.83 179.31 1h0t h GLN 10 N 0.80 0.10 -0.23 1.46 5.75 -1.31 0.17 115.11 121.86 1h0t h GLN 10 Ca 0.18 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.56 1h0t h GLN 10 Cb 0.26 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 1h0t h GLN 10 CO -0.01 0.36 -0.23 -0.97 -2.65 0.00 0.00 178.83 175.33 1h0t h ASN 11 N -0.18 0.60 -0.49 -0.69 -1.24 0.57 -0.62 115.58 113.53 1h0t h ASN 11 Ca 0.02 -0.48 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 1h0t h ASN 11 Cb 0.31 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1h0t h ASN 11 CO 0.00 0.95 0.22 0.00 -1.29 0.00 0.00 177.43 177.31 1h0t h ALA 12 N 0.66 0.63 0.32 1.57 0.00 0.21 0.30 119.26 122.96 1h0t h ALA 12 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h0t h ALA 12 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1h0t h ALA 12 CO 0.06 0.22 -0.25 0.35 0.00 0.00 0.00 179.25 179.63 1h0t h PHE 13 N 0.65 -0.65 0.02 0.00 3.57 -0.61 0.32 116.94 120.23 1h0t h PHE 13 Ca 0.17 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1h0t h PHE 13 Cb 0.15 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1h0t h PHE 13 CO -0.00 -0.37 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.42 1h0t h TYR 14 N -0.57 -1.03 -0.67 0.41 3.20 -0.83 -0.67 116.97 116.82 1h0t h TYR 14 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1h0t h TYR 14 Cb 0.50 0.45 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1h0t h TYR 14 CO -0.13 -0.46 0.42 0.93 -1.64 0.00 0.00 178.16 177.28 1h0t h GLU 15 N -0.54 0.82 -0.65 1.82 4.39 -0.23 0.29 114.58 120.48 1h0t h GLU 15 Ca 0.05 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1h0t h GLU 15 Cb 0.61 -0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 1h0t h GLU 15 CO -0.28 0.54 0.25 0.82 -1.16 0.00 0.00 179.01 179.18 1h0t h ILE 16 N 0.85 0.75 -0.39 3.13 2.04 0.25 0.28 117.51 124.41 1h0t h ILE 16 Ca 0.26 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 1h0t h ILE 16 Cb -0.03 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1h0t h ILE 16 CO -0.09 0.08 -0.33 -0.07 0.00 0.00 0.00 178.15 177.74 1h0t h LEU 17 N 0.43 0.97 -0.71 1.44 3.38 -0.23 -3.24 115.31 117.35 1h0t h LEU 17 Ca 0.34 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1h0t h LEU 17 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h0t h LEU 17 CO -0.33 1.22 -0.39 0.45 0.09 0.00 0.00 178.44 179.48 1h0t h HIS 18 N 0.73 0.00 -1.91 1.13 3.86 0.55 -3.45 115.15 116.06 1h0t h HIS 18 Ca 0.07 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.65 1h0t h HIS 18 Cb 0.92 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.41 1h0t h HIS 18 CO 0.06 0.39 1.15 1.28 0.86 0.00 0.00 177.93 181.67 1h0t n LEU 19 N -3.43 3.26 0.31 2.43 4.77 0.88 -4.85 117.00 120.38 1h0t n LEU 19 Ca 0.00 0.87 0.20 0.00 -0.03 0.00 0.00 56.01 57.06 1h0t n LEU 19 Cb 0.56 -1.36 0.97 0.00 -2.33 0.00 0.00 43.42 41.26 1h0t n LEU 19 CO 0.37 -0.18 1.10 1.55 -1.33 0.00 0.00 177.39 178.90 1h0t h PRO 20 N 9.82 0.00 -0.35 3.23 0.13 -1.90 -2.78 132.00 140.15 1h0t h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1h0t h PRO 20 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1h0t h PRO 20 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1h0t n ASN 21 N -3.10 2.99 -4.77 1.44 3.02 -1.26 -4.96 115.26 108.62 1h0t n ASN 21 Ca -0.01 -1.89 -0.39 0.00 -0.03 0.00 0.00 54.58 52.25 1h0t n ASN 21 Cb 0.18 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h0t s LEU 22 N -1.09 4.45 0.00 3.41 1.43 -1.05 -4.73 118.68 121.10 1h0t s LEU 22 Ca 0.28 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1h0t s LEU 22 Cb 0.16 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1h0t s LEU 22 CO 0.21 0.12 0.19 -0.46 0.23 0.00 0.00 176.35 176.65 1h0t n ASN 23 N 2.50 1.82 -0.12 2.29 0.23 -1.26 -4.80 115.26 115.91 1h0t n ASN 23 Ca -0.07 -1.89 -0.02 0.00 -0.53 0.00 0.00 54.58 52.07 1h0t n ASN 23 Cb 0.51 -0.02 0.22 0.00 -2.08 0.00 0.00 39.78 38.40 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1h0t h GLU 24 N 0.00 0.81 -0.16 -3.83 5.08 -1.97 0.34 114.58 114.85 1h0t h GLU 24 Ca -0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1h0t h GLU 24 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1h0t h GLU 24 CO 0.26 0.70 0.04 1.49 -1.00 0.00 0.00 179.01 180.50 1h0t h GLU 25 N 0.79 0.25 0.09 2.33 4.81 -1.98 -1.57 114.58 119.30 1h0t h GLU 25 Ca 0.18 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1h0t h GLU 25 Cb 0.23 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1h0t h GLU 25 CO -0.01 0.38 -0.04 1.96 -0.73 0.00 0.00 179.01 180.57 1h0t h GLN 26 N 0.06 -0.12 -0.16 1.92 1.08 -1.90 -2.86 115.11 113.13 1h0t h GLN 26 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1h0t h GLN 26 Cb 0.24 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1h0t h GLN 26 CO -0.00 0.32 0.10 -0.09 -0.95 0.00 0.00 178.83 178.21 1h0t h ARG 27 N -0.95 0.20 -0.42 1.46 2.43 -0.43 -0.97 114.38 115.70 1h0t h ARG 27 Ca -0.01 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.49 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1h0t h ARG 27 CO 0.02 0.13 -0.08 -0.91 -1.51 0.00 0.00 179.97 177.62 1h0t h ASN 28 N 0.21 0.80 -0.68 -3.80 2.35 -1.42 -1.53 115.58 111.51 1h0t h ASN 28 Ca 0.06 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1h0t h ASN 28 Cb -0.01 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1h0t h ASN 28 CO -0.02 0.97 0.45 0.00 -1.65 0.00 0.00 177.43 177.18 1h0t h ALA 29 N 0.86 1.52 -0.33 -0.83 0.00 -1.42 -0.06 119.26 119.00 1h0t h ALA 29 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1h0t h ALA 29 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1h0t h ALA 29 CO 0.04 0.45 0.08 0.74 0.00 0.00 0.00 179.25 180.56 1h0t h PHE 30 N 0.92 0.55 0.00 0.00 0.04 -0.82 0.50 116.94 118.13 1h0t h PHE 30 Ca 0.25 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1h0t h PHE 30 Cb -0.10 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1h0t h PHE 30 CO -0.00 0.56 -0.15 0.82 -0.60 0.00 0.00 178.31 178.94 1h0t h ILE 31 N 0.37 0.96 -0.02 -0.55 2.04 -0.51 0.75 117.51 120.56 1h0t h ILE 31 Ca 0.10 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1h0t h ILE 31 Cb 0.29 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1h0t h ILE 31 CO 0.00 0.15 -0.04 1.56 0.00 0.00 0.00 178.15 179.82 1h0t h GLN 32 N 0.00 0.05 0.00 2.37 4.20 -0.10 0.30 115.11 121.93 1h0t h GLN 32 Ca -0.00 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1h0t h GLN 32 Cb 0.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1h0t h GLN 32 CO 0.02 0.64 -0.31 0.66 -0.67 0.00 0.00 178.83 179.16 1h0t h SER 33 N -0.52 0.00 0.10 1.46 4.64 -0.54 -2.46 113.55 116.24 1h0t h SER 33 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1h0t h SER 33 Cb 0.64 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1h0t h SER 33 CO 0.01 0.31 -0.86 0.25 -0.87 0.00 0.00 176.83 175.67 1h0t h LEU 34 N 0.00 0.34 -1.17 5.97 5.85 0.55 -0.32 115.31 126.53 1h0t h LEU 34 Ca -0.00 -0.91 -0.08 0.00 0.84 0.00 0.00 57.88 57.73 1h0t h LEU 34 Cb 0.65 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1h0t h LEU 34 CO 0.04 1.39 -0.24 0.11 -0.34 0.00 0.00 178.44 179.40 1h0t h LYS 35 N -0.50 0.28 0.02 1.25 1.79 -0.40 -3.22 116.57 115.79 1h0t h LYS 35 Ca -0.17 -0.09 -0.33 0.00 -2.18 0.00 0.00 60.65 57.88 1h0t h LYS 35 Cb 1.54 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 32.12 1h0t h LYS 35 CO 0.08 0.51 -1.98 -0.25 -1.08 0.00 0.00 179.45 176.73 1h0t n ASP 36 N -4.16 0.86 -4.07 0.86 8.00 -0.93 -4.80 116.55 112.31 1h0t n ASP 36 Ca -0.01 0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.40 1h0t n ASP 36 Cb 0.36 0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.43 1h0t n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h0t s ASP 37 N -6.07 4.95 0.16 -2.24 -1.08 -0.13 -4.98 116.67 107.27 1h0t s ASP 37 Ca -0.10 -1.99 -0.10 0.00 -0.52 0.00 0.00 52.55 49.84 1h0t s ASP 37 Cb 0.07 -1.71 -0.00 0.00 -1.46 0.00 0.00 42.92 39.82 1h0t s ASP 37 CO 0.81 -0.42 1.51 1.55 0.52 0.00 0.00 175.17 179.14 1h0t h PRO 38 N 7.82 0.94 -0.11 4.34 0.13 -1.81 -3.23 132.00 140.07 1h0t h PRO 38 Ca -0.10 -0.46 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 1h0t h PRO 38 Cb 1.03 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1h0t h PRO 38 CO 0.59 1.12 -0.27 0.66 -0.23 0.00 0.00 178.00 179.86 1h0t h SER 39 N 0.79 0.20 0.34 1.44 4.64 -1.93 -2.69 113.55 116.34 1h0t h SER 39 Ca 0.08 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1h0t h SER 39 Cb 0.90 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1h0t h SER 39 CO 0.08 0.48 -0.04 1.67 -0.87 0.00 0.00 176.83 178.15 1h0t n GLN 40 N -4.15 0.70 -0.16 4.77 7.27 -1.22 -4.33 117.38 120.26 1h0t n GLN 40 Ca -0.01 -0.11 -0.02 0.00 0.07 0.00 0.00 57.00 56.92 1h0t n GLN 40 Cb 0.37 -1.50 0.06 0.00 2.41 0.00 0.00 30.24 31.58 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 0.28 -0.15 -0.13 1.69 4.64 -1.50 0.58 113.55 118.95 1h0t h SER 41 Ca 0.00 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1h0t h SER 41 Cb 0.25 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1h0t h SER 41 CO 0.00 -0.05 0.07 0.00 -0.87 0.00 0.00 176.83 175.99 1h0t h ALA 42 N 1.43 0.17 -0.87 5.18 0.00 -1.82 0.34 119.26 123.69 1h0t h ALA 42 Ca 0.25 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1h0t h ALA 42 Cb 0.37 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1h0t h ALA 42 CO -0.39 -0.29 0.56 -0.91 0.00 0.00 0.00 179.25 178.23 1h0t h ASN 43 N 0.11 0.84 -0.63 0.00 4.21 -1.69 0.32 115.58 118.73 1h0t h ASN 43 Ca 0.05 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 1h0t h ASN 43 Cb 0.08 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 1h0t h ASN 43 CO -0.01 0.53 0.25 -0.07 -1.29 0.00 0.00 177.43 176.85 1h0t h LEU 44 N 0.95 0.87 0.01 1.61 3.38 0.93 0.68 115.31 123.74 1h0t h LEU 44 Ca 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1h0t h LEU 44 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h0t h LEU 44 CO -0.14 0.81 -0.01 0.25 0.09 0.00 0.00 178.44 179.44 1h0t h LEU 45 N 0.89 -0.01 -0.68 1.67 5.85 0.36 0.19 115.31 123.58 1h0t h LEU 45 Ca 0.21 -0.34 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1h0t h LEU 45 Cb 0.20 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1h0t h LEU 45 CO -0.02 0.34 0.24 0.00 -0.34 0.00 0.00 178.44 178.66 1h0t h ALA 46 N 0.62 0.90 -0.29 1.25 0.00 0.12 1.13 119.26 122.99 1h0t h ALA 46 Ca -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1h0t h ALA 46 Cb 0.35 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1h0t h ALA 46 CO 0.00 -0.22 -0.33 1.05 0.00 0.00 0.00 179.25 179.75 1h0t h GLU 47 N 0.39 0.63 -0.57 0.00 4.11 0.48 0.79 114.58 120.41 1h0t h GLU 47 Ca 0.36 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 1h0t h GLU 47 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1h0t h GLU 47 CO -0.38 0.87 0.01 0.00 0.07 0.00 0.00 179.01 179.58 1h0t h ALA 48 N 1.11 0.94 -0.58 1.06 0.00 0.16 0.52 119.26 122.47 1h0t h ALA 48 Ca 0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1h0t h ALA 48 Cb 0.82 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1h0t h ALA 48 CO 0.07 0.64 0.09 0.87 0.00 0.00 0.00 179.25 180.92 1h0t h LYS 49 N 0.89 0.96 -0.84 0.00 1.79 0.18 0.95 116.57 120.51 1h0t h LYS 49 Ca 0.16 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1h0t h LYS 49 Cb 0.51 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1h0t h LYS 49 CO 0.03 0.92 0.41 -0.22 -1.08 0.00 0.00 179.45 179.50 1h0t h LYS 50 N 0.86 1.20 -0.18 3.15 3.64 0.11 -2.41 116.57 122.95 1h0t h LYS 50 Ca 0.18 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1h0t h LYS 50 Cb 0.42 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1h0t h LYS 50 CO 0.01 0.92 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.51 1h0t h LEU 51 N 1.19 0.57 -0.72 5.20 4.07 0.67 -1.18 115.31 125.12 1h0t h LEU 51 Ca 0.29 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1h0t h LEU 51 Cb 0.11 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1h0t h LEU 51 CO -0.04 0.99 0.45 -1.13 -1.08 0.00 0.00 178.44 177.63 1h0t h ASN 52 N 0.40 0.74 0.30 -0.43 -1.24 -0.34 0.48 115.58 115.50 1h0t h ASN 52 Ca 0.01 -0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.71 1h0t h ASN 52 Cb 1.06 -0.16 0.03 0.00 0.73 0.00 0.00 38.32 39.97 1h0t h ASN 52 CO 0.10 0.52 -1.34 0.44 -1.29 0.00 0.00 177.43 175.86 1h0t h ASP 53 N 0.88 0.76 -0.34 1.15 3.32 -1.44 -2.09 116.42 118.66 1h0t h ASP 53 Ca 0.29 -0.76 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 1h0t h ASP 53 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1h0t h ASP 53 CO -0.11 1.58 -0.14 0.00 -1.72 0.00 0.00 179.24 178.85 1h0t h ALA 54 N 0.32 0.48 -0.15 3.45 0.00 -0.98 -2.84 119.26 119.54 1h0t h ALA 54 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1h0t h ALA 54 Cb 2.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1h0t h ALA 54 CO 0.25 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.91 1h0t n GLN 55 N -4.35 1.56 -1.20 0.00 6.02 0.17 -4.94 117.38 114.63 1h0t n GLN 55 Ca -0.02 -0.85 -0.31 0.00 -0.01 0.00 0.00 57.00 55.81 1h0t n GLN 55 Cb 0.38 -1.35 0.10 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.81 2.13 0.48 -1.58 0.00 -0.78 -4.93 121.76 115.26 1h0t s ALA 56 Ca 0.29 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 1h0t s ALA 56 Cb 0.15 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 1h0t s ALA 56 CO 0.23 -1.91 1.05 -1.25 0.00 0.00 0.00 175.76 173.88 1h0t s PRO 57 N -4.78 3.82 0.00 0.00 0.04 -1.26 -5.04 135.00 127.79 1h0t s PRO 57 Ca 0.63 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1h0t s PRO 57 Cb -0.19 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1h0t s PRO 57 CO 0.55 -0.42 0.06 1.63 0.04 0.00 0.00 177.00 178.86