#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 0.79 -3.58 4.52 3.58 -2.08 -3.38 116.42 116.27 1h0t h ASP 2 Ca 0.00 -0.06 -0.70 0.00 0.42 0.00 0.00 57.03 56.69 1h0t h ASP 2 Cb 0.00 -0.20 -0.31 0.00 1.72 0.00 0.00 39.33 40.54 1h0t h ASP 2 CO 0.00 0.62 -0.57 0.20 -2.88 0.00 0.00 179.24 176.61 1h0t s ASN 3 N -5.89 5.31 0.32 2.28 0.01 -1.26 -4.97 114.94 110.74 1h0t s ASN 3 Ca -0.13 -1.49 0.02 0.00 -0.71 0.00 0.00 52.86 50.56 1h0t s ASN 3 Cb 0.14 -1.86 0.54 0.00 0.41 0.00 0.00 41.25 40.47 1h0t s ASN 3 CO 0.77 -0.43 1.87 0.07 -1.51 0.00 0.00 177.10 177.88 1h0t h LYS 4 N 8.19 0.66 -0.47 -0.60 2.10 -2.03 -2.93 116.57 121.49 1h0t h LYS 4 Ca -0.20 -0.13 0.13 0.00 -2.00 0.00 0.00 60.65 58.46 1h0t h LYS 4 Cb 1.07 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 1h0t h LYS 4 CO 0.66 0.62 0.36 0.74 -2.00 0.00 0.00 179.45 179.82 1h0t h PHE 5 N 0.64 0.00 0.08 0.07 0.04 -1.93 0.25 116.94 116.07 1h0t h PHE 5 Ca 0.14 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1h0t h PHE 5 Cb 0.28 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.38 1h0t h PHE 5 CO 0.01 0.00 -0.38 -0.91 -0.60 0.00 0.00 178.31 176.43 1h0t h ASN 6 N 0.00 -1.12 0.31 2.17 2.35 -1.88 -1.81 115.58 115.61 1h0t h ASN 6 Ca 0.22 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1h0t h ASN 6 Cb 0.93 0.43 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1h0t h ASN 6 CO -0.00 -0.45 -0.70 1.17 -1.65 0.00 0.00 177.43 175.80 1h0t n LYS 7 N -5.44 0.01 -0.12 0.81 4.81 -1.06 -3.57 118.16 113.59 1h0t n LYS 7 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.25 1h0t n LYS 7 Cb 0.36 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 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 0.87 -0.62 1.64 4.39 -0.73 0.63 114.58 120.76 1h0t h GLU 8 Ca 0.00 -0.44 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 1h0t h GLU 8 Cb 0.51 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1h0t h GLU 8 CO 0.00 1.08 0.13 1.96 -1.16 0.00 0.00 179.01 181.02 1h0t h GLN 9 N 0.67 0.97 -0.35 2.33 4.20 -1.47 0.70 115.11 122.15 1h0t h GLN 9 Ca 0.07 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1h0t h GLN 9 Cb 0.89 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 1h0t h GLN 9 CO 0.08 0.88 0.13 0.37 -0.67 0.00 0.00 178.83 179.61 1h0t h GLN 10 N 0.93 0.54 -0.11 1.46 5.75 -1.46 0.35 115.11 122.57 1h0t h GLN 10 Ca 0.20 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.47 1h0t h GLN 10 Cb 0.35 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1h0t h GLN 10 CO 0.00 0.55 -0.40 -0.97 -2.65 0.00 0.00 178.83 175.36 1h0t h ASN 11 N 0.42 0.55 -0.49 -0.69 -1.24 0.60 -1.01 115.58 113.72 1h0t h ASN 11 Ca 0.12 -0.62 -0.03 0.00 0.71 0.00 0.00 56.30 56.48 1h0t h ASN 11 Cb 0.22 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1h0t h ASN 11 CO -0.01 1.07 0.20 0.00 -1.29 0.00 0.00 177.43 177.40 1h0t h ALA 12 N 0.49 0.63 0.38 1.57 0.00 0.44 0.32 119.26 123.09 1h0t h ALA 12 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1h0t h ALA 12 Cb 1.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1h0t h ALA 12 CO 0.09 0.23 -0.25 0.35 0.00 0.00 0.00 179.25 179.67 1h0t h PHE 13 N 0.64 -0.66 -0.15 0.00 3.57 -0.33 0.35 116.94 120.37 1h0t h PHE 13 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1h0t h PHE 13 Cb 0.19 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1h0t h PHE 13 CO 0.00 -0.38 -0.30 -0.92 -2.23 0.00 0.00 178.31 174.48 1h0t h TYR 14 N -0.61 -0.82 -0.65 0.41 3.20 -0.92 -1.15 116.97 116.44 1h0t h TYR 14 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1h0t h TYR 14 Cb 0.51 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1h0t h TYR 14 CO -0.11 -0.38 0.38 0.93 -1.64 0.00 0.00 178.16 177.34 1h0t h GLU 15 N -0.36 0.90 -0.66 1.82 4.39 -0.18 0.95 114.58 121.43 1h0t h GLU 15 Ca 0.10 -0.09 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1h0t h GLU 15 Cb 0.52 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 1h0t h GLU 15 CO -0.35 0.66 0.25 0.82 -1.16 0.00 0.00 179.01 179.22 1h0t h ILE 16 N 0.89 0.72 -0.41 3.13 2.04 0.39 0.29 117.51 124.55 1h0t h ILE 16 Ca 0.23 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 1h0t h ILE 16 Cb 0.01 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1h0t h ILE 16 CO -0.04 0.08 -0.35 -0.07 0.00 0.00 0.00 178.15 177.77 1h0t h LEU 17 N 0.41 1.01 -0.56 1.44 3.38 -0.64 -3.23 115.31 117.12 1h0t h LEU 17 Ca 0.35 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1h0t h LEU 17 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1h0t h LEU 17 CO -0.35 1.25 -0.33 0.45 0.09 0.00 0.00 178.44 179.55 1h0t h HIS 18 N 0.78 0.00 -1.97 1.13 3.86 0.26 -3.46 115.15 115.77 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 0.94 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.43 1h0t h HIS 18 CO 0.06 0.33 1.04 1.28 0.86 0.00 0.00 177.93 181.50 1h0t n LEU 19 N -3.31 3.24 0.20 2.43 4.77 0.90 -4.85 117.00 120.38 1h0t n LEU 19 Ca 0.01 1.00 0.14 0.00 -0.03 0.00 0.00 56.01 57.13 1h0t n LEU 19 Cb 0.57 -1.34 0.67 0.00 -2.33 0.00 0.00 43.42 40.99 1h0t n LEU 19 CO 0.36 -0.14 0.93 1.55 -1.33 0.00 0.00 177.39 178.76 1h0t h PRO 20 N 8.64 0.00 -0.22 3.23 0.13 -1.91 -2.98 132.00 138.89 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 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1h0t h PRO 20 CO 0.94 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.80 1h0t n ASN 21 N -2.53 2.52 -4.80 1.44 3.02 -1.26 -5.00 115.26 108.65 1h0t n ASN 21 Ca -0.00 -1.90 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 1h0t n ASN 21 Cb 0.16 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.95 4.48 0.00 3.41 1.43 -1.13 -4.72 118.68 121.20 1h0t s LEU 22 Ca 0.16 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1h0t s LEU 22 Cb 0.08 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1h0t s LEU 22 CO 0.11 0.17 0.07 -0.46 0.23 0.00 0.00 176.35 176.47 1h0t n ASN 23 N 1.32 1.89 -0.19 2.29 0.23 -1.26 -4.83 115.26 114.71 1h0t n ASN 23 Ca -0.06 -1.59 -0.04 0.00 -0.53 0.00 0.00 54.58 52.36 1h0t n ASN 23 Cb 0.50 0.04 0.14 0.00 -2.08 0.00 0.00 39.78 38.38 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 0.97 -0.15 -3.83 3.07 -1.97 0.29 114.58 112.96 1h0t h GLU 24 Ca -0.11 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1h0t h GLU 24 Cb 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1h0t h GLU 24 CO 0.18 0.84 0.04 1.49 -1.40 0.00 0.00 179.01 180.15 1h0t h GLU 25 N 0.94 0.23 0.13 2.33 4.57 -1.98 -1.43 114.58 119.36 1h0t h GLU 25 Ca 0.21 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1h0t h GLU 25 Cb 0.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1h0t h GLU 25 CO -0.01 0.38 -0.06 1.96 -1.18 0.00 0.00 179.01 180.10 1h0t h GLN 26 N 0.04 -0.16 -0.13 1.92 1.08 -1.92 -2.89 115.11 113.06 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 0.25 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1h0t h GLN 26 CO -0.00 0.24 0.08 -0.09 -0.95 0.00 0.00 178.83 178.11 1h0t h ARG 27 N -0.95 0.17 -0.46 1.46 2.43 -0.53 -1.02 114.38 115.49 1h0t h ARG 27 Ca -0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1h0t h ARG 27 Cb 0.47 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1h0t h ARG 27 CO 0.03 0.13 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.70 1h0t h ASN 28 N 0.16 0.81 -0.70 -3.80 2.35 -1.39 -1.63 115.58 111.37 1h0t h ASN 28 Ca 0.05 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1h0t h ASN 28 Cb 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1h0t h ASN 28 CO -0.01 0.93 0.39 0.00 -1.65 0.00 0.00 177.43 177.09 1h0t h ALA 29 N 0.91 1.35 -0.33 -0.83 0.00 -1.45 -1.23 119.26 117.68 1h0t h ALA 29 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1h0t h ALA 29 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1h0t h ALA 29 CO 0.03 0.54 0.15 0.74 0.00 0.00 0.00 179.25 180.70 1h0t h PHE 30 N 0.99 0.49 0.00 0.00 0.04 -0.84 0.98 116.94 118.61 1h0t h PHE 30 Ca 0.25 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1h0t h PHE 30 Cb 0.02 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 1h0t h PHE 30 CO 0.01 0.45 -0.10 0.82 -0.60 0.00 0.00 178.31 178.88 1h0t h ILE 31 N 0.40 0.87 0.07 -0.55 2.04 -0.77 0.72 117.51 120.28 1h0t h ILE 31 Ca 0.11 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1h0t h ILE 31 Cb 0.15 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1h0t h ILE 31 CO -0.01 0.10 -0.03 1.56 0.00 0.00 0.00 178.15 179.77 1h0t h GLN 32 N 0.00 -0.09 0.00 2.37 4.20 -0.11 0.17 115.11 121.65 1h0t h GLN 32 Ca -0.00 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1h0t h GLN 32 Cb 0.21 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1h0t h GLN 32 CO 0.01 0.48 -0.12 0.66 -0.67 0.00 0.00 178.83 179.19 1h0t h SER 33 N -0.81 0.00 0.06 1.46 4.64 -0.48 -0.84 113.55 117.58 1h0t h SER 33 Ca -0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1h0t h SER 33 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1h0t h SER 33 CO 0.02 0.12 -0.53 0.25 -0.87 0.00 0.00 176.83 175.82 1h0t h LEU 34 N 0.00 0.19 -0.81 5.97 5.85 0.44 -0.84 115.31 126.11 1h0t h LEU 34 Ca -0.00 -0.92 -0.11 0.00 0.84 0.00 0.00 57.88 57.69 1h0t h LEU 34 Cb 0.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1h0t h LEU 34 CO 0.02 1.24 -0.28 0.11 -0.34 0.00 0.00 178.44 179.19 1h0t h LYS 35 N -0.73 0.58 0.23 1.25 1.57 -0.55 -3.22 116.57 115.70 1h0t h LYS 35 Ca -0.11 -0.24 -0.33 0.00 -1.87 0.00 0.00 60.65 58.10 1h0t h LYS 35 Cb 1.32 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.63 1h0t h LYS 35 CO 0.04 0.80 -1.52 -0.44 -0.57 0.00 0.00 179.45 177.75 1h0t h ASP 36 N 0.50 0.76 -3.74 0.86 3.32 -1.29 -3.43 116.42 113.40 1h0t h ASP 36 Ca 0.07 -0.93 -0.68 0.00 0.02 0.00 0.00 57.03 55.51 1h0t h ASP 36 Cb 0.74 -0.25 -0.35 0.00 0.22 0.00 0.00 39.33 39.69 1h0t h ASP 36 CO 0.06 1.72 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.98 1h0t s ASP 37 N -7.47 4.85 0.17 6.45 -1.08 -0.32 -4.99 116.67 114.28 1h0t s ASP 37 Ca -0.11 -1.50 -0.08 0.00 -0.52 0.00 0.00 52.55 50.34 1h0t s ASP 37 Cb 0.04 -1.69 0.04 0.00 -1.46 0.00 0.00 42.92 39.85 1h0t s ASP 37 CO 0.91 -0.30 1.50 1.55 0.52 0.00 0.00 175.17 179.35 1h0t h PRO 38 N 7.92 0.79 -0.49 4.34 0.13 -1.81 -3.28 132.00 139.61 1h0t h PRO 38 Ca -0.18 -0.44 -0.07 0.00 -0.87 0.00 0.00 66.00 64.44 1h0t h PRO 38 Cb 1.05 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1h0t h PRO 38 CO 0.54 1.07 0.00 0.77 -0.23 0.00 0.00 178.00 180.15 1h0t h SER 39 N 0.63 0.78 0.66 1.44 0.02 -1.94 -2.74 113.55 112.40 1h0t h SER 39 Ca 0.04 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1h0t h SER 39 Cb 1.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1h0t h SER 39 CO 0.10 0.84 0.00 1.67 -1.14 0.00 0.00 176.83 178.30 1h0t n GLN 40 N -4.21 0.02 -0.17 3.45 7.27 -1.23 -4.24 117.38 118.26 1h0t n GLN 40 Ca 0.03 0.15 -0.05 0.00 0.07 0.00 0.00 57.00 57.20 1h0t n GLN 40 Cb 0.30 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.46 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 -1.02 -0.29 1.69 4.64 -1.56 0.62 113.55 117.63 1h0t h SER 41 Ca 0.00 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1h0t h SER 41 Cb 0.33 0.51 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1h0t h SER 41 CO 0.00 -0.29 0.18 0.00 -0.87 0.00 0.00 176.83 175.85 1h0t h ALA 42 N 1.03 0.36 -0.76 5.18 0.00 -1.82 -0.08 119.26 123.18 1h0t h ALA 42 Ca 0.22 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1h0t h ALA 42 Cb 0.53 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1h0t h ALA 42 CO -0.62 -0.16 0.50 -0.91 0.00 0.00 0.00 179.25 178.06 1h0t h ASN 43 N 0.38 0.72 -0.59 0.00 -0.26 -1.60 0.28 115.58 114.51 1h0t h ASN 43 Ca 0.10 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.79 1h0t h ASN 43 Cb -0.03 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 1h0t h ASN 43 CO -0.02 0.47 0.15 -0.07 -1.06 0.00 0.00 177.43 176.89 1h0t h LEU 44 N 0.82 0.89 -0.30 1.61 3.38 0.13 0.68 115.31 122.52 1h0t h LEU 44 Ca 0.32 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1h0t h LEU 44 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1h0t h LEU 44 CO -0.11 0.89 -0.20 0.25 0.09 0.00 0.00 178.44 179.36 1h0t h LEU 45 N 0.85 0.69 -0.44 1.67 5.85 0.08 0.36 115.31 124.38 1h0t h LEU 45 Ca 0.19 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1h0t h LEU 45 Cb 0.34 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1h0t h LEU 45 CO 0.00 0.97 0.19 0.00 -0.34 0.00 0.00 178.44 179.26 1h0t h ALA 46 N 0.74 0.53 -0.24 1.25 0.00 0.06 0.90 119.26 122.50 1h0t h ALA 46 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1h0t h ALA 46 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h0t h ALA 46 CO 0.05 -0.19 -0.39 1.05 0.00 0.00 0.00 179.25 179.77 1h0t h GLU 47 N 0.38 0.55 -0.48 0.00 4.11 0.47 0.80 114.58 120.40 1h0t h GLU 47 Ca 0.20 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.26 1h0t h GLU 47 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1h0t h GLU 47 CO -0.17 0.85 -0.06 0.00 0.07 0.00 0.00 179.01 179.70 1h0t h ALA 48 N 1.12 0.99 -0.12 1.06 0.00 0.67 0.45 119.26 123.43 1h0t h ALA 48 Ca 0.04 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1h0t h ALA 48 Cb 0.89 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1h0t h ALA 48 CO 0.08 0.61 -0.70 0.87 0.00 0.00 0.00 179.25 180.11 1h0t h LYS 49 N 0.77 0.52 -0.80 0.00 1.57 0.12 0.13 116.57 118.88 1h0t h LYS 49 Ca 0.14 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1h0t h LYS 49 Cb 0.55 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1h0t h LYS 49 CO 0.03 1.03 0.45 -0.22 -0.57 0.00 0.00 179.45 180.17 1h0t h LYS 50 N 0.36 1.11 -0.16 3.15 3.64 0.10 -1.69 116.57 123.08 1h0t h LYS 50 Ca -0.03 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 1h0t h LYS 50 Cb 1.28 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1h0t h LYS 50 CO 0.13 0.81 -0.64 -0.07 -2.27 0.00 0.00 179.45 177.41 1h0t h LEU 51 N 1.12 0.68 -0.85 5.20 4.07 0.31 -1.58 115.31 124.26 1h0t h LEU 51 Ca 0.28 -0.40 0.05 0.00 0.08 0.00 0.00 57.88 57.89 1h0t h LEU 51 Cb 0.01 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.50 1h0t h LEU 51 CO -0.05 1.15 0.53 -1.13 -1.08 0.00 0.00 178.44 177.86 1h0t h ASN 52 N 0.44 0.86 0.30 -0.43 -1.24 0.14 0.35 115.58 115.99 1h0t h ASN 52 Ca -0.01 0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.67 1h0t h ASN 52 Cb 1.21 -0.17 0.02 0.00 0.73 0.00 0.00 38.32 40.11 1h0t h ASN 52 CO 0.12 0.56 -1.55 0.44 -1.29 0.00 0.00 177.43 175.72 1h0t h ASP 53 N 1.00 0.70 -0.01 1.15 3.32 -1.38 -2.18 116.42 119.02 1h0t h ASP 53 Ca 0.36 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1h0t h ASP 53 Cb 0.11 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1h0t h ASP 53 CO -0.15 1.68 -0.00 0.00 -1.72 0.00 0.00 179.24 179.04 1h0t h ALA 54 N 0.22 0.01 0.00 3.45 0.00 -1.08 -3.00 119.26 118.86 1h0t h ALA 54 Ca -0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1h0t h ALA 54 Cb 2.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1h0t h ALA 54 CO 0.23 -0.29 -0.03 1.96 0.00 0.00 0.00 179.25 181.12 1h0t h GLN 55 N -0.36 0.00 -6.90 0.00 4.20 -0.47 -3.46 115.11 108.12 1h0t h GLN 55 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 1h0t h GLN 55 Cb 0.40 0.00 0.18 0.00 0.30 0.00 0.00 27.48 28.36 1h0t h GLN 55 CO 0.00 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 1h0t n ALA 56 N -2.11 -0.51 -1.78 3.87 0.00 -0.82 -4.96 120.51 114.20 1h0t n ALA 56 Ca 0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 1h0t n ALA 56 Cb 0.36 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 -3.25 3.61 0.00 0.00 0.04 -1.26 -5.01 135.00 129.13 1h0t s PRO 57 Ca 0.72 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1h0t s PRO 57 Cb -0.34 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1h0t s PRO 57 CO 0.52 -0.62 0.00 0.36 0.04 0.00 0.00 177.00 177.30