#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0t h ASP 2 N 0.00 0.56 -5.52 4.52 2.03 -2.01 -3.46 116.42 112.53 1h0t h ASP 2 Ca 0.00 -0.19 -0.30 0.00 -0.73 0.00 0.00 57.03 55.81 1h0t h ASP 2 Cb 0.00 -0.15 -0.15 0.00 -0.83 0.00 0.00 39.33 38.20 1h0t h ASP 2 CO 0.00 0.80 -0.59 0.54 -1.03 0.00 0.00 179.24 178.96 1h0t s ASN 3 N -6.79 0.57 0.18 4.15 2.20 -1.26 -5.05 114.94 108.93 1h0t s ASN 3 Ca -0.07 -1.46 -0.14 0.00 -0.94 0.00 0.00 52.86 50.25 1h0t s ASN 3 Cb 0.14 0.40 0.09 0.00 -2.00 0.00 0.00 41.25 39.88 1h0t s ASN 3 CO 0.80 -0.87 1.82 0.07 -2.94 0.00 0.00 177.10 175.98 1h0t h LYS 4 N 2.50 0.63 0.00 3.55 2.10 -2.03 -2.60 116.57 120.71 1h0t h LYS 4 Ca -0.34 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 1h0t h LYS 4 Cb 1.25 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1h0t h LYS 4 CO 0.51 0.41 -0.05 0.74 -2.00 0.00 0.00 179.45 179.06 1h0t h PHE 5 N 0.65 0.00 -0.08 0.07 0.04 -1.97 -2.70 116.94 112.94 1h0t h PHE 5 Ca 0.21 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.01 1h0t h PHE 5 Cb -0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1h0t h PHE 5 CO -0.06 0.05 -0.13 -0.97 -0.60 0.00 0.00 178.31 176.60 1h0t h ASN 6 N 0.00 -0.40 1.23 2.17 -0.73 -1.84 -2.64 115.58 113.39 1h0t h ASN 6 Ca -0.00 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 1h0t h ASN 6 Cb 0.36 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1h0t h ASN 6 CO 0.01 -0.18 -0.79 0.50 -0.37 0.00 0.00 177.43 176.60 1h0t h LYS 7 N -0.18 0.00 -0.85 6.67 3.64 -1.70 -3.30 116.57 120.85 1h0t h LYS 7 Ca 0.07 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 1h0t h LYS 7 Cb 0.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1h0t h LYS 7 CO -0.19 0.10 0.55 0.93 -2.27 0.00 0.00 179.45 178.58 1h0t h GLU 8 N 0.00 0.88 -0.60 1.90 4.39 -1.21 1.11 114.58 121.05 1h0t h GLU 8 Ca -0.03 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1h0t h GLU 8 Cb 1.15 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1h0t h GLU 8 CO 0.02 0.58 -0.01 1.96 -1.16 0.00 0.00 179.01 180.40 1h0t h GLN 9 N 0.91 1.07 -0.08 2.33 4.20 -1.57 0.41 115.11 122.38 1h0t h GLN 9 Ca 0.38 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1h0t h GLN 9 Cb 0.28 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1h0t h GLN 9 CO -0.14 1.05 0.02 0.37 -0.67 0.00 0.00 178.83 179.46 1h0t h GLN 10 N 0.97 0.12 -0.28 1.46 5.75 -0.48 0.45 115.11 123.11 1h0t h GLN 10 Ca 0.17 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1h0t h GLN 10 Cb 0.57 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1h0t h GLN 10 CO 0.03 0.29 -0.08 -0.97 -2.65 0.00 0.00 178.83 175.45 1h0t h ASN 11 N -0.07 0.54 -0.58 -0.69 -1.24 0.12 0.05 115.58 113.71 1h0t h ASN 11 Ca 0.02 -0.37 -0.04 0.00 0.71 0.00 0.00 56.30 56.62 1h0t h ASN 11 Cb 0.22 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1h0t h ASN 11 CO -0.00 0.79 0.19 0.00 -1.29 0.00 0.00 177.43 177.12 1h0t h ALA 12 N 0.77 0.76 0.56 1.57 0.00 -0.14 0.30 119.26 123.07 1h0t h ALA 12 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1h0t h ALA 12 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1h0t h ALA 12 CO 0.03 0.42 -0.35 0.35 0.00 0.00 0.00 179.25 179.70 1h0t h PHE 13 N 0.82 -0.92 -0.05 0.00 3.57 0.02 0.34 116.94 120.72 1h0t h PHE 13 Ca 0.19 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1h0t h PHE 13 Cb 0.27 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1h0t h PHE 13 CO 0.02 -0.53 -0.20 -0.92 -2.23 0.00 0.00 178.31 174.45 1h0t h TYR 14 N -0.86 -0.52 -0.78 0.41 3.20 -0.81 -0.64 116.97 116.96 1h0t h TYR 14 Ca -0.07 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1h0t h TYR 14 Cb 0.70 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 1h0t h TYR 14 CO -0.10 -0.28 0.50 0.93 -1.64 0.00 0.00 178.16 177.57 1h0t h GLU 15 N -0.29 0.94 -0.48 1.82 4.39 -0.23 0.62 114.58 121.35 1h0t h GLU 15 Ca 0.07 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1h0t h GLU 15 Cb 0.39 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1h0t h GLU 15 CO -0.22 0.62 0.18 0.82 -1.16 0.00 0.00 179.01 179.26 1h0t h ILE 16 N 0.97 0.86 -0.22 3.13 2.04 0.33 0.36 117.51 124.97 1h0t h ILE 16 Ca 0.31 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.92 1h0t h ILE 16 Cb 0.01 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1h0t h ILE 16 CO -0.11 0.07 -0.40 -0.07 0.00 0.00 0.00 178.15 177.64 1h0t h LEU 17 N 0.37 0.55 -0.88 1.44 3.38 -0.10 -3.19 115.31 116.88 1h0t h LEU 17 Ca 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h0t h LEU 17 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1h0t h LEU 17 CO -0.22 0.89 -0.03 1.41 0.09 0.00 0.00 178.44 180.58 1h0t n HIS 18 N -4.03 0.00 -2.21 1.13 8.25 0.21 -4.90 115.22 113.67 1h0t n HIS 18 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1h0t n HIS 18 Cb 0.51 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.06 4.31 0.52 2.41 1.43 0.12 -4.90 118.68 120.51 1h0t s LEU 19 Ca 0.37 2.12 0.35 0.00 -1.03 0.00 0.00 54.13 55.93 1h0t s LEU 19 Cb 0.21 -3.56 1.78 0.00 0.03 0.00 0.00 46.19 44.65 1h0t s LEU 19 CO 0.36 -0.73 2.06 1.55 0.23 0.00 0.00 176.35 179.82 1h0t h PRO 20 N 7.91 0.00 -0.13 1.29 0.13 -1.90 -2.87 132.00 136.43 1h0t h PRO 20 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1h0t h PRO 20 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h0t h PRO 20 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 1h0t n ASN 21 N -2.80 2.56 -4.81 1.44 3.02 -1.26 -5.01 115.26 108.40 1h0t n ASN 21 Ca -0.01 -2.32 -0.38 0.00 -0.03 0.00 0.00 54.58 51.84 1h0t n ASN 21 Cb 0.12 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.56 4.46 0.00 3.41 1.43 -1.09 -4.70 118.68 120.64 1h0t s LEU 22 Ca 0.17 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1h0t s LEU 22 Cb 0.13 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1h0t s LEU 22 CO 0.06 0.27 0.14 -0.46 0.23 0.00 0.00 176.35 176.59 1h0t n ASN 23 N 2.04 1.95 -0.30 2.29 6.94 -1.26 -4.82 115.26 122.09 1h0t n ASN 23 Ca -0.12 -1.86 -0.05 0.00 -0.02 0.00 0.00 54.58 52.53 1h0t n ASN 23 Cb 0.52 0.02 0.07 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.20 -0.33 -3.83 5.08 -1.98 0.35 114.58 115.07 1h0t h GLU 24 Ca -0.16 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1h0t h GLU 24 Cb 0.56 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1h0t h GLU 24 CO 0.25 0.94 0.15 1.49 -1.00 0.00 0.00 179.01 180.84 1h0t h GLU 25 N 1.18 0.49 0.12 2.33 4.81 -1.98 -0.84 114.58 120.68 1h0t h GLU 25 Ca 0.28 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1h0t h GLU 25 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1h0t h GLU 25 CO -0.03 0.46 -0.06 1.96 -0.73 0.00 0.00 179.01 180.61 1h0t h GLN 26 N 0.39 -0.16 -0.18 1.92 1.08 -1.90 -2.89 115.11 113.38 1h0t h GLN 26 Ca 0.11 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1h0t h GLN 26 Cb 0.15 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1h0t h GLN 26 CO -0.01 0.27 0.09 -0.09 -0.95 0.00 0.00 178.83 178.14 1h0t h ARG 27 N -0.94 0.25 -0.48 1.46 2.43 -0.39 -1.64 114.38 115.07 1h0t h ARG 27 Ca -0.02 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1h0t h ARG 27 Cb 0.49 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1h0t h ARG 27 CO 0.03 0.26 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.77 1h0t h ASN 28 N 0.17 0.88 -0.66 -3.80 2.35 -1.29 -1.51 115.58 111.73 1h0t h ASN 28 Ca 0.06 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1h0t h ASN 28 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1h0t h ASN 28 CO -0.01 1.02 0.38 0.00 -1.65 0.00 0.00 177.43 177.17 1h0t h ALA 29 N 0.90 1.42 -0.45 -0.83 0.00 -1.47 -1.24 119.26 117.58 1h0t h ALA 29 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 29 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1h0t h ALA 29 CO 0.04 0.49 0.15 0.74 0.00 0.00 0.00 179.25 180.67 1h0t h PHE 30 N 0.93 0.72 0.00 0.00 0.04 -0.93 -0.47 116.94 117.23 1h0t h PHE 30 Ca 0.24 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 1h0t h PHE 30 Cb -0.01 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1h0t h PHE 30 CO 0.00 0.64 -0.10 0.82 -0.60 0.00 0.00 178.31 179.08 1h0t h ILE 31 N 0.59 0.79 0.10 -0.55 2.04 -0.52 0.65 117.51 120.63 1h0t h ILE 31 Ca 0.15 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1h0t h ILE 31 Cb 0.26 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1h0t h ILE 31 CO -0.01 0.10 -0.05 1.56 0.00 0.00 0.00 178.15 179.75 1h0t h GLN 32 N 0.00 -0.13 0.00 2.37 4.20 -0.12 -0.02 115.11 121.41 1h0t h GLN 32 Ca -0.00 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1h0t h GLN 32 Cb 0.21 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h0t h GLN 32 CO 0.01 0.37 -0.22 0.66 -0.67 0.00 0.00 178.83 178.98 1h0t h SER 33 N -0.80 0.00 0.09 1.46 4.64 -0.78 -1.86 113.55 116.31 1h0t h SER 33 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1h0t h SER 33 Cb 0.57 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1h0t h SER 33 CO 0.02 0.22 -0.56 0.25 -0.87 0.00 0.00 176.83 175.90 1h0t h LEU 34 N 0.00 0.30 -0.70 5.97 5.85 0.28 -0.71 115.31 126.30 1h0t h LEU 34 Ca -0.00 -0.96 -0.13 0.00 0.84 0.00 0.00 57.88 57.62 1h0t h LEU 34 Cb 0.41 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1h0t h LEU 34 CO 0.03 1.27 -0.40 0.11 -0.34 0.00 0.00 178.44 179.10 1h0t h LYS 35 N -0.59 0.53 0.17 1.25 1.57 -0.96 -3.25 116.57 115.29 1h0t h LYS 35 Ca -0.10 -0.27 -0.32 0.00 -1.87 0.00 0.00 60.65 58.09 1h0t h LYS 35 Cb 1.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.75 1h0t h LYS 35 CO 0.10 0.84 -1.56 -0.44 -0.57 0.00 0.00 179.45 177.82 1h0t h ASP 36 N 0.44 0.55 -3.63 0.86 3.32 -1.47 -3.43 116.42 113.05 1h0t h ASP 36 Ca 0.04 -0.72 -0.68 0.00 0.02 0.00 0.00 57.03 55.69 1h0t h ASP 36 Cb 0.89 -0.18 -0.36 0.00 0.22 0.00 0.00 39.33 39.91 1h0t h ASP 36 CO 0.08 1.59 -0.65 -0.62 -1.72 0.00 0.00 179.24 177.92 1h0t s ASP 37 N -7.21 4.99 0.15 6.45 -1.08 -0.27 -4.98 116.67 114.72 1h0t s ASP 37 Ca -0.11 -1.82 -0.11 0.00 -0.52 0.00 0.00 52.55 49.99 1h0t s ASP 37 Cb 0.06 -1.73 -0.03 0.00 -1.46 0.00 0.00 42.92 39.76 1h0t s ASP 37 CO 0.87 -0.41 1.50 1.55 0.52 0.00 0.00 175.17 179.20 1h0t h PRO 38 N 7.91 0.96 -0.14 4.34 0.13 -1.81 -3.24 132.00 140.15 1h0t h PRO 38 Ca -0.13 -0.48 -0.06 0.00 -0.87 0.00 0.00 66.00 64.46 1h0t h PRO 38 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1h0t h PRO 38 CO 0.60 1.14 -0.20 0.66 -0.23 0.00 0.00 178.00 179.97 1h0t h SER 39 N 0.79 0.24 0.56 1.44 4.64 -1.93 -2.54 113.55 116.75 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 0.92 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1h0t h SER 39 CO 0.09 0.45 -0.00 1.67 -0.87 0.00 0.00 176.83 178.16 1h0t n GLN 40 N -4.21 0.44 -0.13 4.77 7.27 -1.22 -4.32 117.38 119.97 1h0t n GLN 40 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 57.00 57.01 1h0t n GLN 40 Cb 0.32 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.49 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 0.01 -0.42 -0.31 1.69 4.64 -1.49 0.67 113.55 118.34 1h0t h SER 41 Ca 0.00 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1h0t h SER 41 Cb 0.29 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1h0t h SER 41 CO 0.00 -0.15 0.16 0.00 -0.87 0.00 0.00 176.83 175.98 1h0t h ALA 42 N 1.41 0.40 -0.75 5.18 0.00 -1.80 0.64 119.26 124.34 1h0t h ALA 42 Ca 0.21 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1h0t h ALA 42 Cb 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1h0t h ALA 42 CO -0.45 -0.06 0.49 -0.91 0.00 0.00 0.00 179.25 178.32 1h0t h ASN 43 N 0.38 0.76 -0.55 0.00 -0.26 -1.66 0.34 115.58 114.59 1h0t h ASN 43 Ca 0.11 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1h0t h ASN 43 Cb 0.08 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1h0t h ASN 43 CO -0.02 0.51 0.14 -0.07 -1.06 0.00 0.00 177.43 176.94 1h0t h LEU 44 N 0.87 0.82 -0.15 1.61 3.38 0.13 0.72 115.31 122.70 1h0t h LEU 44 Ca 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1h0t h LEU 44 Cb 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h0t h LEU 44 CO -0.09 0.83 -0.03 0.25 0.09 0.00 0.00 178.44 179.49 1h0t h LEU 45 N 0.77 0.27 -0.71 1.67 5.85 0.19 0.24 115.31 123.60 1h0t h LEU 45 Ca 0.17 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1h0t h LEU 45 Cb 0.32 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1h0t h LEU 45 CO -0.00 0.56 0.34 0.00 -0.34 0.00 0.00 178.44 179.01 1h0t h ALA 46 N 0.72 0.97 -0.22 1.25 0.00 0.17 1.13 119.26 123.28 1h0t h ALA 46 Ca 0.04 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 46 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1h0t h ALA 46 CO 0.01 -0.06 -0.43 1.05 0.00 0.00 0.00 179.25 179.82 1h0t h GLU 47 N 0.58 0.54 -0.54 0.00 4.11 0.60 0.81 114.58 120.69 1h0t h GLU 47 Ca 0.35 -0.28 -0.08 0.00 0.07 0.00 0.00 59.36 59.41 1h0t h GLU 47 Cb 0.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1h0t h GLU 47 CO -0.28 0.87 -0.00 0.00 0.07 0.00 0.00 179.01 179.67 1h0t h ALA 48 N 1.09 0.98 -0.54 1.06 0.00 0.13 0.54 119.26 122.52 1h0t h ALA 48 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1h0t h ALA 48 Cb 0.93 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1h0t h ALA 48 CO 0.08 0.62 0.07 0.87 0.00 0.00 0.00 179.25 180.90 1h0t h LYS 49 N 0.85 0.91 -0.87 0.00 1.79 0.18 0.15 116.57 119.58 1h0t h LYS 49 Ca 0.16 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1h0t h LYS 49 Cb 0.51 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1h0t h LYS 49 CO 0.02 0.89 0.46 -0.22 -1.08 0.00 0.00 179.45 179.52 1h0t h LYS 50 N 0.80 1.23 -0.18 3.15 3.64 0.11 -2.13 116.57 123.19 1h0t h LYS 50 Ca 0.16 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1h0t h LYS 50 Cb 0.43 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1h0t h LYS 50 CO 0.01 0.91 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.49 1h0t h LEU 51 N 1.23 0.59 -0.67 5.20 4.07 0.66 -1.20 115.31 125.18 1h0t h LEU 51 Ca 0.31 -0.31 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1h0t h LEU 51 Cb 0.06 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 1h0t h LEU 51 CO -0.05 1.02 0.42 -1.13 -1.08 0.00 0.00 178.44 177.62 1h0t h ASN 52 N 0.41 0.69 0.29 -0.43 -1.24 -0.08 0.38 115.58 115.60 1h0t h ASN 52 Ca 0.01 -0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.70 1h0t h ASN 52 Cb 1.09 -0.15 0.03 0.00 0.73 0.00 0.00 38.32 40.02 1h0t h ASN 52 CO 0.10 0.48 -1.40 0.44 -1.29 0.00 0.00 177.43 175.77 1h0t h ASP 53 N 0.83 0.80 -0.37 1.15 3.32 -1.41 -1.91 116.42 118.83 1h0t h ASP 53 Ca 0.27 -0.83 -0.09 0.00 0.02 0.00 0.00 57.03 56.41 1h0t h ASP 53 Cb 0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1h0t h ASP 53 CO -0.10 1.64 -0.11 0.00 -1.72 0.00 0.00 179.24 178.95 1h0t h ALA 54 N 0.25 0.51 -0.01 3.45 0.00 -1.03 -2.82 119.26 119.60 1h0t h ALA 54 Ca -0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1h0t h ALA 54 Cb 2.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1h0t h ALA 54 CO 0.26 0.38 -0.03 1.04 0.00 0.00 0.00 179.25 180.90 1h0t n GLN 55 N -4.37 1.27 -1.69 0.00 6.02 0.13 -4.93 117.38 113.81 1h0t n GLN 55 Ca -0.02 -0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 56.11 1h0t n GLN 55 Cb 0.36 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.10 2.37 0.31 -1.58 0.00 -0.72 -4.95 121.76 115.10 1h0t s ALA 56 Ca 0.39 0.69 0.10 0.00 0.00 0.00 0.00 51.96 53.14 1h0t s ALA 56 Cb 0.21 -3.37 0.50 0.00 0.00 0.00 0.00 23.12 20.46 1h0t s ALA 56 CO 0.38 -1.44 1.70 -1.00 0.00 0.00 0.00 175.76 175.41 1h0t h PRO 57 N 0.03 0.06 0.00 0.00 0.13 -1.88 -3.49 132.00 126.85 1h0t h PRO 57 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1h0t h PRO 57 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h0t h PRO 57 CO 0.53 0.54 0.00 1.17 -0.23 0.00 0.00 178.00 180.00