#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 6.48 0.65 4.52 2.15 -1.26 -5.09 116.67 124.12 1h0t s ASP 2 Ca 0.00 0.57 -0.11 0.00 0.43 0.00 0.00 52.55 53.44 1h0t s ASP 2 Cb 0.00 -2.15 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1h0t s ASP 2 CO 0.00 0.26 1.04 0.54 -0.17 0.00 0.00 175.17 176.84 1h0t s ASN 3 N -0.37 5.91 0.28 -0.34 2.20 -1.26 -4.98 114.94 116.38 1h0t s ASN 3 Ca 0.17 1.44 -0.00 0.00 -0.94 0.00 0.00 52.86 53.53 1h0t s ASN 3 Cb -0.13 -2.42 0.41 0.00 -2.00 0.00 0.00 41.25 37.10 1h0t s ASN 3 CO 0.05 -1.08 1.80 0.07 -2.94 0.00 0.00 177.10 175.00 1h0t h LYS 4 N -0.47 0.75 -0.45 3.55 2.10 -2.01 -2.98 116.57 117.07 1h0t h LYS 4 Ca -0.44 -0.18 0.13 0.00 -2.00 0.00 0.00 60.65 58.16 1h0t h LYS 4 Cb 1.20 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 1h0t h LYS 4 CO 0.61 0.73 0.37 0.74 -2.00 0.00 0.00 179.45 179.90 1h0t h PHE 5 N 0.71 0.00 -0.11 0.07 0.04 -1.94 0.64 116.94 116.34 1h0t h PHE 5 Ca 0.15 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.96 1h0t h PHE 5 Cb 0.38 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 1h0t h PHE 5 CO 0.02 0.00 -0.35 -0.97 -0.60 0.00 0.00 178.31 176.41 1h0t h ASN 6 N 0.00 -1.10 0.59 2.17 -0.73 -1.88 -1.89 115.58 112.74 1h0t h ASN 6 Ca 0.21 0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.52 1h0t h ASN 6 Cb 0.95 0.46 -0.00 0.00 0.27 0.00 0.00 38.32 39.99 1h0t h ASN 6 CO -0.00 -0.39 -1.42 1.17 -0.37 0.00 0.00 177.43 176.42 1h0t n LYS 7 N -5.42 0.63 -0.35 6.67 4.81 -1.02 -3.69 118.16 119.78 1h0t n LYS 7 Ca -0.04 0.01 -0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1h0t n LYS 7 Cb 0.34 -1.71 0.15 0.00 0.02 0.00 0.00 35.03 33.83 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 1.23 -0.60 1.64 4.39 -0.72 1.51 114.58 122.03 1h0t h GLU 8 Ca -0.02 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1h0t h GLU 8 Cb 1.05 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1h0t h GLU 8 CO 0.00 0.81 0.12 1.96 -1.16 0.00 0.00 179.01 180.75 1h0t h GLN 9 N 1.26 0.95 0.07 2.33 4.20 -1.50 0.32 115.11 122.75 1h0t h GLN 9 Ca 0.37 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1h0t h GLN 9 Cb -0.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1h0t h GLN 9 CO -0.10 0.86 -0.04 0.37 -0.67 0.00 0.00 178.83 179.25 1h0t h GLN 10 N 0.90 -0.10 -0.50 1.46 5.75 -0.62 0.40 115.11 122.40 1h0t h GLN 10 Ca 0.19 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1h0t h GLN 10 Cb 0.36 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1h0t h GLN 10 CO 0.00 0.22 -0.07 -0.97 -2.65 0.00 0.00 178.83 175.36 1h0t h ASN 11 N -0.42 0.93 -0.34 -0.69 -1.24 0.20 0.71 115.58 114.74 1h0t h ASN 11 Ca -0.01 -0.34 -0.05 0.00 0.71 0.00 0.00 56.30 56.61 1h0t h ASN 11 Cb 0.36 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1h0t h ASN 11 CO 0.02 1.05 0.03 0.00 -1.29 0.00 0.00 177.43 177.24 1h0t h ALA 12 N 0.91 0.45 0.51 1.57 0.00 -0.33 0.35 119.26 122.72 1h0t h ALA 12 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1h0t h ALA 12 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h0t h ALA 12 CO 0.04 0.18 -0.31 0.35 0.00 0.00 0.00 179.25 179.51 1h0t h PHE 13 N 0.39 -0.81 -0.23 0.00 3.57 -0.08 0.35 116.94 120.15 1h0t h PHE 13 Ca 0.10 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1h0t h PHE 13 Cb 0.40 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.35 1h0t h PHE 13 CO 0.03 -0.47 -0.35 -0.92 -2.23 0.00 0.00 178.31 174.37 1h0t h TYR 14 N -0.77 -0.97 -0.63 0.41 3.20 -0.75 -1.19 116.97 116.27 1h0t h TYR 14 Ca -0.06 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1h0t h TYR 14 Cb 0.63 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1h0t h TYR 14 CO -0.09 -0.41 0.35 0.93 -1.64 0.00 0.00 178.16 177.30 1h0t h GLU 15 N -0.37 0.88 -0.69 1.82 4.39 -0.10 0.11 114.58 120.62 1h0t h GLU 15 Ca 0.12 -0.10 0.13 0.00 0.34 0.00 0.00 59.36 59.84 1h0t h GLU 15 Cb 0.56 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 28.95 1h0t h GLU 15 CO -0.43 0.66 0.24 0.82 -1.16 0.00 0.00 179.01 179.14 1h0t h ILE 16 N 0.86 0.67 -0.40 3.13 2.04 0.52 0.30 117.51 124.64 1h0t h ILE 16 Ca 0.22 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.82 1h0t h ILE 16 Cb 0.03 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1h0t h ILE 16 CO -0.04 0.07 -0.26 -0.07 0.00 0.00 0.00 178.15 177.85 1h0t h LEU 17 N 0.39 0.93 -1.17 1.44 3.38 -0.66 -3.13 115.31 116.48 1h0t h LEU 17 Ca 0.37 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1h0t h LEU 17 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1h0t h LEU 17 CO -0.39 1.16 -0.22 0.45 0.09 0.00 0.00 178.44 179.53 1h0t h HIS 18 N 0.70 0.00 -2.20 1.13 3.86 0.74 -3.44 115.15 115.94 1h0t h HIS 18 Ca 0.08 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.73 1h0t h HIS 18 Cb 0.84 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.33 1h0t h HIS 18 CO 0.06 0.22 1.23 1.28 0.86 0.00 0.00 177.93 181.58 1h0t n LEU 19 N -3.41 3.84 0.21 2.43 4.77 0.91 -4.86 117.00 120.90 1h0t n LEU 19 Ca -0.00 0.84 0.15 0.00 -0.03 0.00 0.00 56.01 56.97 1h0t n LEU 19 Cb 0.42 -1.48 0.66 0.00 -2.33 0.00 0.00 43.42 40.68 1h0t n LEU 19 CO 0.33 0.02 0.94 1.55 -1.33 0.00 0.00 177.39 178.91 1h0t h PRO 20 N 10.73 0.00 -0.14 3.23 0.13 -1.90 -3.04 132.00 141.02 1h0t h PRO 20 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h0t h PRO 20 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h0t h PRO 20 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1h0t n ASN 21 N -2.67 2.75 -4.80 1.44 4.13 -1.26 -4.96 115.26 109.90 1h0t n ASN 21 Ca 0.01 -1.82 -0.39 0.00 1.68 0.00 0.00 54.58 54.06 1h0t n ASN 21 Cb 0.22 -0.08 -0.06 0.00 -1.54 0.00 0.00 39.78 38.33 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 -1.44 4.55 0.00 3.41 1.43 -1.15 -4.78 118.68 120.70 1h0t s LEU 22 Ca 0.25 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1h0t s LEU 22 Cb 0.16 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1h0t s LEU 22 CO 0.24 0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.59 1h0t n ASN 23 N 1.61 1.55 -0.33 2.29 6.94 -1.26 -4.78 115.26 121.28 1h0t n ASN 23 Ca -0.08 -0.59 -0.04 0.00 -0.02 0.00 0.00 54.58 53.85 1h0t n ASN 23 Cb 0.50 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.00 1h0t n ASN 23 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1h0t h GLU 24 N 0.00 1.24 0.04 -3.83 4.39 -1.97 0.17 114.58 114.61 1h0t h GLU 24 Ca 0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1h0t h GLU 24 Cb 0.00 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1h0t h GLU 24 CO 0.00 0.90 -0.02 1.49 -1.16 0.00 0.00 179.01 180.22 1h0t h GLU 25 N 1.24 -0.05 0.13 2.33 4.81 -1.98 -2.44 114.58 118.62 1h0t h GLU 25 Ca 0.31 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1h0t h GLU 25 Cb 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1h0t h GLU 25 CO -0.05 0.30 -0.06 1.96 -0.73 0.00 0.00 179.01 180.43 1h0t h GLN 26 N -0.41 -0.17 -0.01 1.92 1.08 -1.92 -2.87 115.11 112.73 1h0t h GLN 26 Ca -0.01 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1h0t h GLN 26 Cb 0.38 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1h0t h GLN 26 CO 0.01 0.25 0.01 -0.09 -0.95 0.00 0.00 178.83 178.06 1h0t h ARG 27 N -0.92 0.01 -0.50 1.46 2.43 -0.82 -1.88 114.38 114.17 1h0t h ARG 27 Ca -0.02 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.50 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1h0t h ARG 27 CO 0.03 0.06 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.61 1h0t h ASN 28 N -0.03 0.88 -0.81 -3.80 2.35 -1.54 -1.86 115.58 110.77 1h0t h ASN 28 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1h0t h ASN 28 Cb 0.05 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 1h0t h ASN 28 CO -0.00 0.99 0.52 0.00 -1.65 0.00 0.00 177.43 177.29 1h0t h ALA 29 N 0.92 1.37 -0.43 -0.83 0.00 -1.48 -0.95 119.26 117.86 1h0t h ALA 29 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1h0t h ALA 29 Cb 0.55 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1h0t h ALA 29 CO 0.03 0.56 0.19 0.74 0.00 0.00 0.00 179.25 180.77 1h0t h PHE 30 N 1.12 0.64 0.00 0.00 0.04 -1.02 0.56 116.94 118.28 1h0t h PHE 30 Ca 0.30 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 1h0t h PHE 30 Cb -0.09 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 1h0t h PHE 30 CO 0.00 0.53 -0.11 0.82 -0.60 0.00 0.00 178.31 178.95 1h0t h ILE 31 N 0.55 0.94 -0.02 -0.55 2.04 -0.64 0.71 117.51 120.54 1h0t h ILE 31 Ca 0.15 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1h0t h ILE 31 Cb 0.15 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1h0t h ILE 31 CO -0.02 0.11 -0.14 1.56 0.00 0.00 0.00 178.15 179.67 1h0t h GLN 32 N 0.00 0.13 0.00 2.37 4.20 0.01 -0.10 115.11 121.72 1h0t h GLN 32 Ca -0.00 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1h0t h GLN 32 Cb 0.22 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h0t h GLN 32 CO 0.01 0.80 -0.34 0.66 -0.67 0.00 0.00 178.83 179.29 1h0t h SER 33 N -0.50 0.00 0.10 1.46 4.64 -0.52 -2.96 113.55 115.78 1h0t h SER 33 Ca -0.01 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1h0t h SER 33 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1h0t h SER 33 CO 0.03 0.34 -1.01 0.25 -0.87 0.00 0.00 176.83 175.57 1h0t h LEU 34 N 0.00 0.34 -1.27 5.97 5.85 0.40 -1.49 115.31 125.10 1h0t h LEU 34 Ca -0.00 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 57.78 1h0t h LEU 34 Cb 0.72 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1h0t h LEU 34 CO 0.04 1.45 -0.13 0.11 -0.34 0.00 0.00 178.44 179.58 1h0t h LYS 35 N -0.46 0.33 0.00 1.25 1.57 -1.05 -3.17 116.57 115.04 1h0t h LYS 35 Ca -0.21 -0.09 -0.22 0.00 -1.87 0.00 0.00 60.65 58.26 1h0t h LYS 35 Cb 1.59 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.82 1h0t h LYS 35 CO 0.07 0.47 -1.87 -0.25 -0.57 0.00 0.00 179.45 177.30 1h0t n ASP 36 N -4.24 0.43 -4.08 0.86 8.00 -1.12 -4.79 116.55 111.61 1h0t n ASP 36 Ca -0.00 0.19 -0.34 0.00 0.71 0.00 0.00 54.79 55.35 1h0t n ASP 36 Cb 0.29 0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 41.98 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 -5.51 5.00 0.19 -2.24 -1.08 -0.56 -4.97 116.67 107.49 1h0t s ASP 37 Ca -0.06 -2.02 -0.07 0.00 -0.52 0.00 0.00 52.55 49.88 1h0t s ASP 37 Cb 0.09 -1.73 0.10 0.00 -1.46 0.00 0.00 42.92 39.92 1h0t s ASP 37 CO 0.84 -0.44 1.57 1.55 0.52 0.00 0.00 175.17 179.20 1h0t h PRO 38 N 7.85 0.84 -0.47 4.34 0.13 -1.83 -3.18 132.00 139.67 1h0t h PRO 38 Ca -0.10 -0.38 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1h0t h PRO 38 Cb 1.04 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1h0t h PRO 38 CO 0.60 1.01 -0.10 1.03 -0.23 0.00 0.00 178.00 180.32 1h0t h SER 39 N 0.72 0.84 0.57 1.44 0.87 -1.93 -2.83 113.55 113.23 1h0t h SER 39 Ca 0.08 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1h0t h SER 39 Cb 0.83 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1h0t h SER 39 CO 0.07 0.97 0.00 1.67 -0.53 0.00 0.00 176.83 179.01 1h0t n GLN 40 N -4.16 0.29 -0.10 2.24 7.27 -1.22 -4.27 117.38 117.43 1h0t n GLN 40 Ca 0.02 0.05 -0.06 0.00 0.07 0.00 0.00 57.00 57.07 1h0t n GLN 40 Cb 0.37 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.52 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 -0.67 -0.28 1.69 4.64 -1.48 0.64 113.55 118.09 1h0t h SER 41 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1h0t h SER 41 Cb 0.29 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1h0t h SER 41 CO 0.00 -0.23 0.18 0.00 -0.87 0.00 0.00 176.83 175.91 1h0t h ALA 42 N 1.07 0.36 -0.81 5.18 0.00 -1.79 -0.32 119.26 122.95 1h0t h ALA 42 Ca 0.18 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1h0t h ALA 42 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1h0t h ALA 42 CO -0.44 -0.17 0.53 -0.91 0.00 0.00 0.00 179.25 178.26 1h0t h ASN 43 N 0.37 0.75 -0.57 0.00 4.21 -1.64 0.31 115.58 119.02 1h0t h ASN 43 Ca 0.10 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.57 1h0t h ASN 43 Cb -0.03 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 1h0t h ASN 43 CO -0.02 0.47 0.14 -0.07 -1.29 0.00 0.00 177.43 176.66 1h0t h LEU 44 N 0.84 0.86 -0.28 1.61 3.38 0.13 0.69 115.31 122.55 1h0t h LEU 44 Ca 0.36 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1h0t h LEU 44 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1h0t h LEU 44 CO -0.13 0.87 -0.23 0.25 0.09 0.00 0.00 178.44 179.29 1h0t h LEU 45 N 0.81 0.69 -0.46 1.67 5.85 0.02 0.32 115.31 124.21 1h0t h LEU 45 Ca 0.18 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1h0t h LEU 45 Cb 0.35 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1h0t h LEU 45 CO 0.00 1.00 0.21 0.00 -0.34 0.00 0.00 178.44 179.31 1h0t h ALA 46 N 0.71 0.57 -0.28 1.25 0.00 0.08 0.89 119.26 122.49 1h0t h ALA 46 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 46 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1h0t h ALA 46 CO 0.06 -0.15 -0.34 1.05 0.00 0.00 0.00 179.25 179.87 1h0t h GLU 47 N 0.42 0.60 -0.64 0.00 4.11 0.50 0.71 114.58 120.28 1h0t h GLU 47 Ca 0.20 -0.27 -0.08 0.00 0.07 0.00 0.00 59.36 59.28 1h0t h GLU 47 Cb 0.14 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1h0t h GLU 47 CO -0.16 0.85 0.09 0.00 0.07 0.00 0.00 179.01 179.86 1h0t h ALA 48 N 1.13 0.94 -0.49 1.06 0.00 0.63 0.47 119.26 123.01 1h0t h ALA 48 Ca 0.06 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1h0t h ALA 48 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1h0t h ALA 48 CO 0.07 0.65 -0.15 0.87 0.00 0.00 0.00 179.25 180.69 1h0t h LYS 49 N 0.99 0.96 -0.90 0.00 1.57 0.13 0.16 116.57 119.48 1h0t h LYS 49 Ca 0.19 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1h0t h LYS 49 Cb 0.45 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1h0t h LYS 49 CO 0.01 1.05 0.60 -0.22 -0.57 0.00 0.00 179.45 180.33 1h0t h LYS 50 N 0.82 1.16 -0.15 3.15 3.64 0.89 -1.68 116.57 124.40 1h0t h LYS 50 Ca 0.12 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 1h0t h LYS 50 Cb 0.72 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1h0t h LYS 50 CO 0.06 0.77 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.22 1h0t h LEU 51 N 1.20 0.77 -0.86 5.20 4.07 0.49 -1.49 115.31 124.68 1h0t h LEU 51 Ca 0.34 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.86 1h0t h LEU 51 Cb -0.10 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.36 1h0t h LEU 51 CO -0.08 1.25 0.55 -1.13 -1.08 0.00 0.00 178.44 177.95 1h0t h ASN 52 N 0.46 0.90 0.22 -0.43 -1.24 0.19 0.22 115.58 115.90 1h0t h ASN 52 Ca -0.03 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.63 1h0t h ASN 52 Cb 1.31 -0.19 0.02 0.00 0.73 0.00 0.00 38.32 40.19 1h0t h ASN 52 CO 0.14 0.60 -1.66 0.44 -1.29 0.00 0.00 177.43 175.66 1h0t h ASP 53 N 1.05 0.70 0.03 1.15 3.32 -1.40 -2.38 116.42 118.89 1h0t h ASP 53 Ca 0.35 -0.92 -0.00 0.00 0.02 0.00 0.00 57.03 56.48 1h0t h ASP 53 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1h0t h ASP 53 CO -0.14 1.76 -0.02 0.00 -1.72 0.00 0.00 179.24 179.13 1h0t h ALA 54 N 0.13 -0.04 0.00 3.45 0.00 -1.14 -3.00 119.26 118.66 1h0t h ALA 54 Ca -0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1h0t h ALA 54 Cb 2.13 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1h0t h ALA 54 CO 0.21 -0.35 -0.14 1.96 0.00 0.00 0.00 179.25 180.94 1h0t h GLN 55 N -0.40 0.00 -6.83 0.00 4.20 -0.73 -3.46 115.11 107.90 1h0t h GLN 55 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1h0t h GLN 55 Cb 0.37 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.32 1h0t h GLN 55 CO 0.01 0.14 0.10 0.00 -0.67 0.00 0.00 178.83 178.41 1h0t n ALA 56 N -2.18 0.11 0.14 3.87 0.00 -0.90 -4.92 120.51 116.64 1h0t n ALA 56 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1h0t n ALA 56 Cb 0.39 -2.10 0.25 0.00 0.00 0.00 0.00 19.45 17.99 1h0t n ALA 56 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1h0t h PRO 57 N 0.41 0.10 0.00 0.00 0.13 -1.88 -3.49 132.00 127.27 1h0t h PRO 57 Ca -0.48 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1h0t h PRO 57 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1h0t h PRO 57 CO 0.50 0.54 0.00 1.17 -0.23 0.00 0.00 178.00 179.98