#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 2.63 -0.41 4.52 1.01 -1.26 -5.10 116.67 118.06 1h0t s ASP 2 Ca 0.00 -0.48 -0.10 0.00 0.71 0.00 0.00 52.55 52.69 1h0t s ASP 2 Cb 0.00 -1.18 0.07 0.00 1.01 0.00 0.00 42.92 42.82 1h0t s ASP 2 CO 0.00 0.01 0.25 0.20 0.21 0.00 0.00 175.17 175.84 1h0t s ASN 3 N 1.05 5.66 0.25 0.27 0.01 -1.26 -4.97 114.94 115.96 1h0t s ASN 3 Ca -0.04 -1.39 -0.01 0.00 -0.71 0.00 0.00 52.86 50.70 1h0t s ASN 3 Cb -0.15 -2.00 0.32 0.00 0.41 0.00 0.00 41.25 39.84 1h0t s ASN 3 CO -0.04 -0.51 1.71 0.07 -1.51 0.00 0.00 177.10 176.83 1h0t h LYS 4 N 8.42 0.68 -0.69 -0.60 2.10 -2.01 -3.16 116.57 121.30 1h0t h LYS 4 Ca -0.24 -0.23 0.13 0.00 -2.00 0.00 0.00 60.65 58.31 1h0t h LYS 4 Cb 1.09 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 32.32 1h0t h LYS 4 CO 0.74 0.80 0.46 0.74 -2.00 0.00 0.00 179.45 180.19 1h0t h PHE 5 N 0.61 0.46 0.11 0.07 0.04 -1.93 0.14 116.94 116.45 1h0t h PHE 5 Ca 0.10 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.90 1h0t h PHE 5 Cb 0.60 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.58 1h0t h PHE 5 CO 0.03 0.19 -0.20 -0.91 -0.60 0.00 0.00 178.31 176.82 1h0t h ASN 6 N 0.41 -0.56 1.34 2.17 4.21 -1.89 -1.69 115.58 119.57 1h0t h ASN 6 Ca 0.33 0.07 -0.13 0.00 1.21 0.00 0.00 56.30 57.77 1h0t h ASN 6 Cb 0.72 0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 1h0t h ASN 6 CO -0.10 -0.28 -0.62 0.50 -1.29 0.00 0.00 177.43 175.63 1h0t h LYS 7 N -0.38 0.00 -0.85 0.81 3.64 -1.66 -3.03 116.57 115.08 1h0t h LYS 7 Ca 0.03 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1h0t h LYS 7 Cb 0.40 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1h0t h LYS 7 CO -0.11 0.62 0.56 0.93 -2.27 0.00 0.00 179.45 179.19 1h0t h GLU 8 N 0.00 1.02 -0.60 1.90 4.39 -0.69 1.05 114.58 121.65 1h0t h GLU 8 Ca -0.01 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1h0t h GLU 8 Cb 1.46 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1h0t h GLU 8 CO 0.08 0.67 0.03 1.96 -1.16 0.00 0.00 179.01 180.59 1h0t h GLN 9 N 1.05 1.04 -0.31 2.33 4.20 -1.31 0.58 115.11 122.70 1h0t h GLN 9 Ca 0.34 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h0t h GLN 9 Cb 0.05 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1h0t h GLN 9 CO -0.11 1.01 0.16 0.37 -0.67 0.00 0.00 178.83 179.59 1h0t h GLN 10 N 0.94 0.43 -0.13 1.46 5.75 -0.53 0.44 115.11 123.48 1h0t h GLN 10 Ca 0.17 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1h0t h GLN 10 Cb 0.52 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1h0t h GLN 10 CO 0.03 0.39 -0.38 -0.97 -2.65 0.00 0.00 178.83 175.24 1h0t h ASN 11 N 0.37 0.57 -0.52 -0.69 -1.24 0.12 -0.47 115.58 113.71 1h0t h ASN 11 Ca 0.11 -0.59 -0.03 0.00 0.71 0.00 0.00 56.30 56.49 1h0t h ASN 11 Cb 0.09 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1h0t h ASN 11 CO -0.02 1.06 0.20 0.00 -1.29 0.00 0.00 177.43 177.39 1h0t h ALA 12 N 0.52 0.68 0.44 1.57 0.00 0.23 0.35 119.26 123.05 1h0t h ALA 12 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1h0t h ALA 12 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1h0t h ALA 12 CO 0.08 0.30 -0.28 0.35 0.00 0.00 0.00 179.25 179.70 1h0t h PHE 13 N 0.71 -0.75 -0.11 0.00 3.57 -0.11 0.36 116.94 120.60 1h0t h PHE 13 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1h0t h PHE 13 Cb 0.21 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1h0t h PHE 13 CO 0.01 -0.43 -0.37 -0.92 -2.23 0.00 0.00 178.31 174.37 1h0t h TYR 14 N -0.70 -1.03 -0.72 0.41 3.20 -0.82 -1.01 116.97 116.30 1h0t h TYR 14 Ca -0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1h0t h TYR 14 Cb 0.58 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 1h0t h TYR 14 CO -0.10 -0.44 0.45 0.93 -1.64 0.00 0.00 178.16 177.35 1h0t h GLU 15 N -0.46 0.97 -0.62 1.82 4.39 -0.14 0.16 114.58 120.71 1h0t h GLU 15 Ca 0.08 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1h0t h GLU 15 Cb 0.59 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 1h0t h GLU 15 CO -0.36 0.68 0.21 0.82 -1.16 0.00 0.00 179.01 179.20 1h0t h ILE 16 N 0.98 0.73 -0.46 3.13 2.04 0.43 0.25 117.51 124.61 1h0t h ILE 16 Ca 0.26 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.86 1h0t h ILE 16 Cb -0.05 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1h0t h ILE 16 CO -0.05 0.07 -0.24 -0.07 0.00 0.00 0.00 178.15 177.86 1h0t h LEU 17 N 0.38 1.00 -0.84 1.44 3.38 -0.54 -3.17 115.31 116.96 1h0t h LEU 17 Ca 0.32 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1h0t h LEU 17 Cb 0.42 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h0t h LEU 17 CO -0.34 1.19 -0.14 0.45 0.09 0.00 0.00 178.44 179.70 1h0t h HIS 18 N 0.82 0.00 -2.16 1.13 3.86 0.50 -3.45 115.15 115.85 1h0t h HIS 18 Ca 0.10 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.73 1h0t h HIS 18 Cb 0.82 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.31 1h0t h HIS 18 CO 0.06 0.14 1.14 1.28 0.86 0.00 0.00 177.93 181.41 1h0t n LEU 19 N -3.22 3.71 0.26 2.43 4.77 0.75 -4.86 117.00 120.85 1h0t n LEU 19 Ca 0.01 0.95 0.17 0.00 -0.03 0.00 0.00 56.01 57.12 1h0t n LEU 19 Cb 0.45 -1.43 0.83 0.00 -2.33 0.00 0.00 43.42 40.94 1h0t n LEU 19 CO 0.32 0.04 1.01 1.55 -1.33 0.00 0.00 177.39 178.99 1h0t h PRO 20 N 9.64 0.00 -0.25 3.23 0.13 -1.91 -2.95 132.00 139.90 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 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 -2.80 2.62 -4.78 1.44 3.02 -1.26 -4.98 115.26 108.51 1h0t n ASN 21 Ca -0.01 -1.84 -0.39 0.00 -0.03 0.00 0.00 54.58 52.31 1h0t n ASN 21 Cb 0.16 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.97 4.53 0.00 3.41 1.43 -1.12 -4.76 118.68 121.20 1h0t s LEU 22 Ca 0.20 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 1h0t s LEU 22 Cb 0.11 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1h0t s LEU 22 CO 0.15 0.19 0.27 -0.46 0.23 0.00 0.00 176.35 176.73 1h0t n ASN 23 N 1.97 2.25 -0.08 2.29 0.23 -1.26 -4.81 115.26 115.86 1h0t n ASN 23 Ca -0.07 -2.32 0.02 0.00 -0.53 0.00 0.00 54.58 51.68 1h0t n ASN 23 Cb 0.50 -0.01 0.34 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.71 -0.15 -3.83 4.81 -1.97 0.26 114.58 114.40 1h0t h GLU 24 Ca -0.24 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1h0t h GLU 24 Cb 0.88 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1h0t h GLU 24 CO 0.38 0.49 -0.08 1.49 -0.73 0.00 0.00 179.01 180.56 1h0t h GLU 25 N 0.72 0.32 0.10 1.92 4.81 -1.98 -2.07 114.58 118.40 1h0t h GLU 25 Ca 0.19 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1h0t h GLU 25 Cb -0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1h0t h GLU 25 CO -0.04 0.65 -0.05 1.96 -0.73 0.00 0.00 179.01 180.81 1h0t h GLN 26 N -0.01 -0.12 -0.18 1.92 1.08 -1.88 -2.76 115.11 113.16 1h0t h GLN 26 Ca 0.03 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1h0t h GLN 26 Cb 0.56 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1h0t h GLN 26 CO 0.02 0.37 0.07 -0.09 -0.95 0.00 0.00 178.83 178.25 1h0t h ARG 27 N -0.91 0.16 -0.44 1.46 2.43 -0.62 -1.39 114.38 115.07 1h0t h ARG 27 Ca -0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1h0t h ARG 27 Cb 0.55 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1h0t h ARG 27 CO 0.02 0.11 0.08 -0.97 -1.51 0.00 0.00 179.97 177.70 1h0t h ASN 28 N 0.17 0.69 -0.93 -3.80 -1.24 -1.52 -1.01 115.58 107.94 1h0t h ASN 28 Ca 0.08 -0.26 0.07 0.00 0.71 0.00 0.00 56.30 56.90 1h0t h ASN 28 Cb 0.03 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 38.84 1h0t h ASN 28 CO -0.07 0.77 0.60 0.00 -1.29 0.00 0.00 177.43 177.45 1h0t h ALA 29 N 0.95 1.50 -0.27 1.57 0.00 -1.35 0.27 119.26 121.93 1h0t h ALA 29 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h0t h ALA 29 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h0t h ALA 29 CO 0.01 0.35 0.04 0.74 0.00 0.00 0.00 179.25 180.40 1h0t h PHE 30 N 1.05 0.47 0.00 0.00 0.04 -0.84 0.68 116.94 118.34 1h0t h PHE 30 Ca 0.40 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 1h0t h PHE 30 Cb 0.22 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1h0t h PHE 30 CO -0.00 0.55 -0.14 0.82 -0.60 0.00 0.00 178.31 178.94 1h0t h ILE 31 N 0.26 1.02 -0.06 -0.55 2.04 -0.08 0.80 117.51 120.93 1h0t h ILE 31 Ca 0.08 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1h0t h ILE 31 Cb 0.33 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1h0t h ILE 31 CO 0.01 0.14 -0.14 1.56 0.00 0.00 0.00 178.15 179.71 1h0t h GLN 32 N 0.00 0.20 0.00 2.37 4.20 0.28 0.18 115.11 122.34 1h0t h GLN 32 Ca -0.00 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1h0t h GLN 32 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1h0t h GLN 32 CO 0.02 0.74 -0.37 0.66 -0.67 0.00 0.00 178.83 179.21 1h0t h SER 33 N -0.31 0.00 0.05 1.46 4.64 -0.43 -2.44 113.55 116.52 1h0t h SER 33 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1h0t h SER 33 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1h0t h SER 33 CO 0.03 0.37 -0.49 0.25 -0.87 0.00 0.00 176.83 176.12 1h0t h LEU 34 N 0.00 0.15 -1.29 5.97 5.85 0.62 -0.91 115.31 125.71 1h0t h LEU 34 Ca -0.00 -0.91 -0.07 0.00 0.84 0.00 0.00 57.88 57.73 1h0t h LEU 34 Cb 0.82 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1h0t h LEU 34 CO 0.05 1.22 -0.25 0.11 -0.34 0.00 0.00 178.44 179.23 1h0t h LYS 35 N -0.78 0.17 0.09 1.25 1.57 -0.70 -3.19 116.57 114.98 1h0t h LYS 35 Ca -0.11 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.43 1h0t h LYS 35 Cb 1.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1h0t h LYS 35 CO 0.02 0.41 -0.96 0.22 -0.57 0.00 0.00 179.45 178.57 1h0t h ASP 36 N 0.15 0.31 -3.63 0.86 3.58 -1.55 -3.44 116.42 112.69 1h0t h ASP 36 Ca 0.03 -0.88 -0.68 0.00 0.42 0.00 0.00 57.03 55.92 1h0t h ASP 36 Cb 0.53 -0.10 -0.30 0.00 1.72 0.00 0.00 39.33 41.18 1h0t h ASP 36 CO 0.04 1.43 -0.67 -0.62 -2.88 0.00 0.00 179.24 176.53 1h0t s ASP 37 N -6.86 4.89 0.05 2.28 -1.08 -0.35 -5.00 116.67 110.61 1h0t s ASP 37 Ca -0.18 -0.98 -0.18 0.00 -0.52 0.00 0.00 52.55 50.69 1h0t s ASP 37 Cb 0.02 -1.78 -0.15 0.00 -1.46 0.00 0.00 42.92 39.55 1h0t s ASP 37 CO 0.76 -0.22 1.29 1.55 0.52 0.00 0.00 175.17 179.07 1h0t h PRO 38 N 8.12 0.52 0.00 4.34 0.13 -1.83 -3.29 132.00 139.97 1h0t h PRO 38 Ca -0.28 -0.35 -0.06 0.00 -0.87 0.00 0.00 66.00 64.45 1h0t h PRO 38 Cb 1.10 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1h0t h PRO 38 CO 0.58 0.96 -0.27 0.66 -0.23 0.00 0.00 178.00 179.71 1h0t h SER 39 N 0.14 0.00 0.62 1.44 4.64 -1.93 -2.77 113.55 115.70 1h0t h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h0t h SER 39 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1h0t h SER 39 CO 0.08 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 1h0t n GLN 40 N -3.99 0.32 -0.11 4.77 1.13 -1.24 -4.30 117.38 113.96 1h0t n GLN 40 Ca -0.02 0.02 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 1h0t n GLN 40 Cb 0.34 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.20 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1h0t h SER 41 N 0.00 -0.34 -0.16 1.08 4.64 -1.58 0.30 113.55 117.50 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 0.31 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1h0t h SER 41 CO 0.00 -0.12 0.10 0.00 -0.87 0.00 0.00 176.83 175.94 1h0t h ALA 42 N 1.37 0.20 -0.90 5.18 0.00 -1.81 0.82 119.26 124.11 1h0t h ALA 42 Ca 0.18 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1h0t h ALA 42 Cb 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1h0t h ALA 42 CO -0.38 -0.33 0.59 -0.91 0.00 0.00 0.00 179.25 178.22 1h0t h ASN 43 N 0.20 0.89 -0.61 0.00 4.21 -1.73 0.36 115.58 118.90 1h0t h ASN 43 Ca 0.06 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 1h0t h ASN 43 Cb -0.01 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 36.98 1h0t h ASN 43 CO -0.02 0.57 0.20 -0.07 -1.29 0.00 0.00 177.43 176.82 1h0t h LEU 44 N 1.01 0.89 -0.31 1.61 3.38 0.59 0.62 115.31 123.10 1h0t h LEU 44 Ca 0.39 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1h0t h LEU 44 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h0t h LEU 44 CO -0.15 0.85 -0.23 0.25 0.09 0.00 0.00 178.44 179.25 1h0t h LEU 45 N 0.87 0.73 -0.40 1.67 5.85 0.26 0.30 115.31 124.60 1h0t h LEU 45 Ca 0.20 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1h0t h LEU 45 Cb 0.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1h0t h LEU 45 CO -0.01 1.02 0.16 0.00 -0.34 0.00 0.00 178.44 179.27 1h0t h ALA 46 N 0.73 0.48 -0.26 1.25 0.00 0.24 0.90 119.26 122.61 1h0t h ALA 46 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1h0t h ALA 46 CO 0.06 -0.23 -0.35 1.05 0.00 0.00 0.00 179.25 179.78 1h0t h GLU 47 N 0.33 0.57 -0.51 0.00 4.11 0.33 0.79 114.58 120.19 1h0t h GLU 47 Ca 0.18 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.26 1h0t h GLU 47 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1h0t h GLU 47 CO -0.17 0.84 -0.02 0.00 0.07 0.00 0.00 179.01 179.73 1h0t h ALA 48 N 1.14 0.99 -0.12 1.06 0.00 0.53 0.43 119.26 123.29 1h0t h ALA 48 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1h0t h ALA 48 Cb 0.84 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1h0t h ALA 48 CO 0.07 0.61 -0.66 0.87 0.00 0.00 0.00 179.25 180.14 1h0t h LYS 49 N 0.81 0.48 -0.74 0.00 1.57 0.12 0.14 116.57 118.95 1h0t h LYS 49 Ca 0.15 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1h0t h LYS 49 Cb 0.52 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1h0t h LYS 49 CO 0.03 0.97 0.35 -0.22 -0.57 0.00 0.00 179.45 180.02 1h0t h LYS 50 N 0.34 1.06 -0.15 3.15 3.64 0.10 -1.93 116.57 122.79 1h0t h LYS 50 Ca -0.02 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 1h0t h LYS 50 Cb 1.23 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1h0t h LYS 50 CO 0.12 0.81 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.38 1h0t h LEU 51 N 1.05 0.66 -0.91 5.20 4.07 0.30 -1.62 115.31 124.06 1h0t h LEU 51 Ca 0.26 -0.40 0.07 0.00 0.08 0.00 0.00 57.88 57.89 1h0t h LEU 51 Cb 0.11 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 1h0t h LEU 51 CO -0.03 1.14 0.57 -1.13 -1.08 0.00 0.00 178.44 177.91 1h0t h ASN 52 N 0.41 0.88 0.17 -0.43 -1.24 0.04 0.33 115.58 115.74 1h0t h ASN 52 Ca -0.02 0.02 -0.28 0.00 0.71 0.00 0.00 56.30 56.73 1h0t h ASN 52 Cb 1.24 -0.16 0.02 0.00 0.73 0.00 0.00 38.32 40.14 1h0t h ASN 52 CO 0.12 0.55 -1.33 -0.78 -1.29 0.00 0.00 177.43 174.70 1h0t h ASP 53 N 1.01 0.55 -0.05 1.15 3.58 -1.43 -1.91 116.42 119.32 1h0t h ASP 53 Ca 0.40 -0.91 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1h0t h ASP 53 Cb 0.22 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1h0t h ASP 53 CO -0.19 1.61 0.02 0.00 -2.88 0.00 0.00 179.24 177.81 1h0t h ALA 54 N 0.06 0.06 0.00 -0.78 0.00 -1.10 -2.54 119.26 114.96 1h0t h ALA 54 Ca -0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1h0t h ALA 54 Cb 1.88 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1h0t h ALA 54 CO 0.15 -0.37 -0.20 1.96 0.00 0.00 0.00 179.25 180.79 1h0t h GLN 55 N -0.05 0.00 -6.91 0.00 4.20 -0.50 -3.46 115.11 108.39 1h0t h GLN 55 Ca 0.02 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.17 1h0t h GLN 55 Cb 0.13 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.09 1h0t h GLN 55 CO -0.00 0.20 0.06 0.00 -0.67 0.00 0.00 178.83 178.42 1h0t n ALA 56 N -2.20 -0.29 -1.77 3.87 0.00 -0.72 -4.96 120.51 114.45 1h0t n ALA 56 Ca 0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.90 1h0t n ALA 56 Cb 0.44 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1h0t n ALA 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h0t s PRO 57 N -3.20 4.13 0.00 0.00 0.04 -1.26 -4.98 135.00 129.73 1h0t s PRO 57 Ca 0.73 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1h0t s PRO 57 Cb -0.36 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1h0t s PRO 57 CO 0.50 -0.22 0.00 0.36 0.04 0.00 0.00 177.00 177.68