#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 -0.07 -0.47 4.52 -4.77 -1.26 -5.08 116.67 109.54 1h0t s ASP 2 Ca 0.00 -0.88 0.04 0.00 -3.30 0.00 0.00 52.55 48.41 1h0t s ASP 2 Cb 0.00 0.66 0.42 0.00 -1.09 0.00 0.00 42.92 42.91 1h0t s ASP 2 CO 0.00 -1.27 1.27 0.59 0.70 0.00 0.00 175.17 176.45 1h0t n ASN 3 N -0.57 5.19 -0.17 2.11 3.02 -1.26 -4.85 115.26 118.73 1h0t n ASN 3 Ca -0.03 -3.74 -0.08 0.00 -0.03 0.00 0.00 54.58 50.70 1h0t n ASN 3 Cb 0.61 -0.53 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1h0t n ASN 3 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1h0t h LYS 4 N 2.54 0.71 -0.18 3.52 2.10 -2.01 -2.92 116.57 120.33 1h0t h LYS 4 Ca 0.35 -0.11 0.05 0.00 -2.00 0.00 0.00 60.65 58.95 1h0t h LYS 4 Cb 0.92 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1h0t h LYS 4 CO 0.93 0.61 0.18 0.74 -2.00 0.00 0.00 179.45 179.90 1h0t h PHE 5 N 0.65 0.00 0.29 0.07 0.04 -1.88 0.91 116.94 117.01 1h0t h PHE 5 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1h0t h PHE 5 Cb 0.14 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1h0t h PHE 5 CO -0.00 0.00 -0.40 -0.91 -0.60 0.00 0.00 178.31 176.39 1h0t h ASN 6 N 0.00 -1.13 0.30 2.17 4.21 -1.88 -2.70 115.58 116.56 1h0t h ASN 6 Ca 0.09 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1h0t h ASN 6 Cb 0.44 0.40 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 1h0t h ASN 6 CO -0.00 -0.52 -0.75 1.17 -1.29 0.00 0.00 177.43 176.04 1h0t n LYS 7 N -5.48 0.03 -0.13 0.81 0.00 -1.11 -4.02 118.16 108.26 1h0t n LYS 7 Ca -0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.14 1h0t n LYS 7 Cb 0.39 -1.51 0.08 0.00 0.00 0.00 0.00 35.03 33.99 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 0.88 -0.59 1.64 4.39 -0.71 0.77 114.58 120.96 1h0t h GLU 8 Ca 0.00 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 1h0t h GLU 8 Cb 0.52 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1h0t h GLU 8 CO 0.00 0.95 0.23 1.96 -1.16 0.00 0.00 179.01 180.99 1h0t h GLN 9 N 0.79 0.86 -0.00 2.33 4.20 -1.63 0.64 115.11 122.29 1h0t h GLN 9 Ca 0.13 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1h0t h GLN 9 Cb 0.64 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1h0t h GLN 9 CO 0.04 0.71 -0.00 0.37 -0.67 0.00 0.00 178.83 179.28 1h0t h GLN 10 N 0.85 0.01 -0.25 1.46 5.75 -1.31 0.21 115.11 121.83 1h0t h GLN 10 Ca 0.20 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1h0t h GLN 10 Cb 0.18 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1h0t h GLN 10 CO -0.02 0.35 -0.16 -0.97 -2.65 0.00 0.00 178.83 175.39 1h0t h ASN 11 N -0.34 0.57 -0.54 -0.69 -1.24 0.76 0.18 115.58 114.28 1h0t h ASN 11 Ca 0.00 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 56.55 1h0t h ASN 11 Cb 0.35 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1h0t h ASN 11 CO 0.00 0.88 0.22 0.00 -1.29 0.00 0.00 177.43 177.24 1h0t h ALA 12 N 0.71 0.69 0.48 1.57 0.00 0.24 0.36 119.26 123.32 1h0t h ALA 12 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1h0t h ALA 12 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1h0t h ALA 12 CO 0.04 0.30 -0.33 0.35 0.00 0.00 0.00 179.25 179.61 1h0t h PHE 13 N 0.72 -0.89 -0.14 0.00 3.57 -0.48 0.28 116.94 120.01 1h0t h PHE 13 Ca 0.18 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1h0t h PHE 13 Cb 0.18 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1h0t h PHE 13 CO 0.00 -0.50 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.50 1h0t h TYR 14 N -0.79 -0.43 -0.73 0.41 3.20 -0.72 -1.07 116.97 116.84 1h0t h TYR 14 Ca -0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1h0t h TYR 14 Cb 0.66 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1h0t h TYR 14 CO -0.13 -0.24 0.45 0.93 -1.64 0.00 0.00 178.16 177.54 1h0t h GLU 15 N -0.21 0.98 -0.52 1.82 4.39 -0.10 0.44 114.58 121.39 1h0t h GLU 15 Ca 0.10 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1h0t h GLU 15 Cb 0.35 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1h0t h GLU 15 CO -0.26 0.68 0.18 0.82 -1.16 0.00 0.00 179.01 179.27 1h0t h ILE 16 N 0.99 0.81 -0.42 3.13 2.04 0.14 0.39 117.51 124.60 1h0t h ILE 16 Ca 0.26 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.86 1h0t h ILE 16 Cb -0.06 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1h0t h ILE 16 CO -0.05 0.06 -0.32 -0.07 0.00 0.00 0.00 178.15 177.77 1h0t h LEU 17 N 0.35 0.99 -0.45 1.44 3.38 -0.45 -3.19 115.31 117.38 1h0t h LEU 17 Ca 0.25 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1h0t h LEU 17 Cb 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h0t h LEU 17 CO -0.26 1.21 -0.04 1.41 0.09 0.00 0.00 178.44 180.85 1h0t n HIS 18 N -4.08 0.00 -2.11 1.13 8.25 0.15 -4.88 115.22 113.68 1h0t n HIS 18 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1h0t n HIS 18 Cb 0.51 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.15 4.34 0.52 2.41 1.43 0.13 -4.89 118.68 120.47 1h0t s LEU 19 Ca 0.38 2.27 0.35 0.00 -1.03 0.00 0.00 54.13 56.10 1h0t s LEU 19 Cb 0.21 -3.56 1.71 0.00 0.03 0.00 0.00 46.19 44.58 1h0t s LEU 19 CO 0.39 -0.77 2.05 1.55 0.23 0.00 0.00 176.35 179.80 1h0t h PRO 20 N 7.88 0.00 -0.12 1.29 0.13 -1.89 -2.92 132.00 136.37 1h0t h PRO 20 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1h0t h PRO 20 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 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 -2.84 2.20 -4.83 1.44 4.13 -1.26 -4.99 115.26 109.11 1h0t n ASN 21 Ca -0.01 -1.62 -0.36 0.00 1.68 0.00 0.00 54.58 54.27 1h0t n ASN 21 Cb 0.16 -0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.27 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 -0.92 4.35 0.00 3.41 1.43 -1.10 -4.80 118.68 121.04 1h0t s LEU 22 Ca 0.15 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1h0t s LEU 22 Cb 0.10 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1h0t s LEU 22 CO 0.14 0.09 0.06 -0.46 0.23 0.00 0.00 176.35 176.40 1h0t n ASN 23 N 0.82 2.37 -0.10 2.29 0.23 -1.26 -4.84 115.26 114.77 1h0t n ASN 23 Ca -0.04 -1.97 0.01 0.00 -0.53 0.00 0.00 54.58 52.05 1h0t n ASN 23 Cb 0.51 0.10 0.30 0.00 -2.08 0.00 0.00 39.78 38.62 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 0.76 -0.11 -3.83 4.81 -1.98 0.25 114.58 114.48 1h0t h GLU 24 Ca -0.18 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1h0t h GLU 24 Cb 0.58 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1h0t h GLU 24 CO 0.30 0.57 -0.06 1.49 -0.73 0.00 0.00 179.01 180.58 1h0t h GLU 25 N 0.76 0.23 0.04 1.92 4.81 -1.98 -1.92 114.58 118.45 1h0t h GLU 25 Ca 0.19 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1h0t h GLU 25 Cb 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1h0t h GLU 25 CO -0.03 0.58 -0.02 1.96 -0.73 0.00 0.00 179.01 180.77 1h0t h GLN 26 N -0.13 -0.05 -0.19 1.92 1.08 -1.90 -2.68 115.11 113.16 1h0t h GLN 26 Ca 0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1h0t h GLN 26 Cb 0.52 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1h0t h GLN 26 CO 0.02 0.58 0.11 -0.09 -0.95 0.00 0.00 178.83 178.50 1h0t h ARG 27 N -0.76 0.26 -0.46 1.46 2.43 -0.63 -1.77 114.38 114.90 1h0t h ARG 27 Ca -0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1h0t h ARG 27 Cb 0.66 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1h0t h ARG 27 CO 0.01 0.22 0.05 -0.97 -1.51 0.00 0.00 179.97 177.77 1h0t h ASN 28 N 0.23 0.76 -0.88 -3.80 -1.24 -1.48 -1.29 115.58 107.88 1h0t h ASN 28 Ca 0.07 -0.28 0.06 0.00 0.71 0.00 0.00 56.30 56.86 1h0t h ASN 28 Cb 0.03 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 38.82 1h0t h ASN 28 CO -0.01 0.85 0.57 0.00 -1.29 0.00 0.00 177.43 177.55 1h0t h ALA 29 N 0.94 1.54 -0.32 1.57 0.00 -1.39 0.23 119.26 121.82 1h0t h ALA 29 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1h0t h ALA 29 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h0t h ALA 29 CO 0.01 0.33 0.05 0.74 0.00 0.00 0.00 179.25 180.38 1h0t h PHE 30 N 0.99 0.57 0.00 0.00 0.04 -0.90 0.69 116.94 118.33 1h0t h PHE 30 Ca 0.38 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1h0t h PHE 30 Cb 0.20 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1h0t h PHE 30 CO -0.00 0.62 -0.18 0.82 -0.60 0.00 0.00 178.31 178.96 1h0t h ILE 31 N 0.37 0.96 -0.08 -0.55 2.04 -0.06 0.81 117.51 121.00 1h0t h ILE 31 Ca 0.10 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1h0t h ILE 31 Cb 0.35 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1h0t h ILE 31 CO 0.01 0.18 -0.21 1.56 0.00 0.00 0.00 178.15 179.69 1h0t h GLN 32 N 0.00 0.27 0.00 2.37 4.20 0.23 0.34 115.11 122.53 1h0t h GLN 32 Ca -0.00 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 1h0t h GLN 32 Cb 0.36 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1h0t h GLN 32 CO 0.02 0.81 -0.43 0.66 -0.67 0.00 0.00 178.83 179.22 1h0t h SER 33 N -0.21 0.00 0.09 1.46 4.64 -0.47 -2.47 113.55 116.58 1h0t h SER 33 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 1h0t h SER 33 Cb 0.82 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1h0t h SER 33 CO 0.04 0.43 -0.65 0.25 -0.87 0.00 0.00 176.83 176.03 1h0t h LEU 34 N 0.00 0.29 -1.07 5.97 5.85 0.68 -0.16 115.31 126.87 1h0t h LEU 34 Ca -0.00 -0.94 -0.06 0.00 0.84 0.00 0.00 57.88 57.72 1h0t h LEU 34 Cb 0.88 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1h0t h LEU 34 CO 0.06 1.30 -0.03 0.11 -0.34 0.00 0.00 178.44 179.54 1h0t h LYS 35 N -0.59 0.62 0.20 1.25 1.79 -0.36 -3.19 116.57 116.30 1h0t h LYS 35 Ca -0.13 -0.16 -0.35 0.00 -2.18 0.00 0.00 60.65 57.84 1h0t h LYS 35 Cb 1.44 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1h0t h LYS 35 CO 0.08 0.66 -1.73 -0.44 -1.08 0.00 0.00 179.45 176.94 1h0t h ASP 36 N 0.59 0.65 -3.58 0.86 5.19 -1.56 -3.43 116.42 115.14 1h0t h ASP 36 Ca 0.12 -0.94 -0.69 0.00 -0.62 0.00 0.00 57.03 54.90 1h0t h ASP 36 Cb 0.41 -0.21 -0.33 0.00 0.18 0.00 0.00 39.33 39.38 1h0t h ASP 36 CO 0.02 1.79 -0.59 -0.62 -3.12 0.00 0.00 179.24 176.71 1h0t s ASP 37 N -7.33 5.18 0.15 6.45 -1.08 -0.07 -4.97 116.67 114.99 1h0t s ASP 37 Ca -0.15 -1.74 -0.11 0.00 -0.52 0.00 0.00 52.55 50.03 1h0t s ASP 37 Cb 0.05 -1.81 -0.03 0.00 -1.46 0.00 0.00 42.92 39.67 1h0t s ASP 37 CO 0.86 -0.45 1.49 1.55 0.52 0.00 0.00 175.17 179.15 1h0t h PRO 38 N 8.06 0.96 -0.24 4.34 0.13 -1.82 -3.25 132.00 140.17 1h0t h PRO 38 Ca -0.16 -0.48 -0.09 0.00 -0.87 0.00 0.00 66.00 64.40 1h0t h PRO 38 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1h0t h PRO 38 CO 0.65 1.14 -0.23 0.77 -0.23 0.00 0.00 178.00 180.10 1h0t h SER 39 N 0.79 0.45 -0.00 1.44 0.02 -1.93 -2.80 113.55 111.53 1h0t h SER 39 Ca 0.08 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1h0t h SER 39 Cb 0.93 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1h0t h SER 39 CO 0.09 0.68 0.00 1.67 -1.14 0.00 0.00 176.83 178.13 1h0t n GLN 40 N -4.14 1.00 -0.15 3.45 7.27 -1.23 -4.27 117.38 119.31 1h0t n GLN 40 Ca -0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.03 1h0t n GLN 40 Cb 0.38 -1.48 0.06 0.00 2.41 0.00 0.00 30.24 31.61 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 0.09 -0.14 1.69 4.64 -1.55 0.50 113.55 118.77 1h0t h SER 41 Ca 0.00 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1h0t h SER 41 Cb 0.00 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1h0t h SER 41 CO 0.00 0.08 0.08 0.00 -0.87 0.00 0.00 176.83 176.12 1h0t h ALA 42 N 1.35 0.18 -0.86 5.18 0.00 -1.82 0.74 119.26 124.04 1h0t h ALA 42 Ca 0.23 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1h0t h ALA 42 Cb 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1h0t h ALA 42 CO -0.27 -0.29 0.56 -0.91 0.00 0.00 0.00 179.25 178.33 1h0t h ASN 43 N 0.14 0.84 -0.58 0.00 4.21 -1.72 0.36 115.58 118.84 1h0t h ASN 43 Ca 0.05 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.52 1h0t h ASN 43 Cb 0.05 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 1h0t h ASN 43 CO -0.01 0.54 0.20 -0.07 -1.29 0.00 0.00 177.43 176.80 1h0t h LEU 44 N 0.96 0.83 -0.04 1.61 3.38 0.83 0.70 115.31 123.58 1h0t h LEU 44 Ca 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1h0t h LEU 44 Cb 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1h0t h LEU 44 CO -0.13 0.81 -0.01 0.25 0.09 0.00 0.00 178.44 179.44 1h0t h LEU 45 N 0.81 0.08 -0.74 1.67 5.85 0.26 0.19 115.31 123.43 1h0t h LEU 45 Ca 0.19 -0.38 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1h0t h LEU 45 Cb 0.26 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1h0t h LEU 45 CO -0.01 0.44 0.32 0.00 -0.34 0.00 0.00 178.44 178.86 1h0t h ALA 46 N 0.65 1.05 -0.22 1.25 0.00 0.16 1.15 119.26 123.29 1h0t h ALA 46 Ca 0.01 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1h0t h ALA 46 Cb 0.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1h0t h ALA 46 CO 0.00 -0.15 -0.46 1.05 0.00 0.00 0.00 179.25 179.69 1h0t h GLU 47 N 0.50 0.57 -0.52 0.00 4.11 0.54 0.84 114.58 120.62 1h0t h GLU 47 Ca 0.40 -0.31 -0.08 0.00 0.07 0.00 0.00 59.36 59.43 1h0t h GLU 47 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1h0t h GLU 47 CO -0.36 0.91 -0.01 0.00 0.07 0.00 0.00 179.01 179.62 1h0t h ALA 48 N 1.04 1.00 -0.59 1.06 0.00 0.15 0.59 119.26 122.51 1h0t h ALA 48 Ca 0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1h0t h ALA 48 Cb 0.98 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1h0t h ALA 48 CO 0.09 0.61 -0.02 0.87 0.00 0.00 0.00 179.25 180.80 1h0t h LYS 49 N 0.82 1.05 -0.74 0.00 1.79 0.18 0.55 116.57 120.22 1h0t h LYS 49 Ca 0.15 -0.35 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1h0t h LYS 49 Cb 0.50 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 1h0t h LYS 49 CO 0.03 1.04 0.26 -0.22 -1.08 0.00 0.00 179.45 179.47 1h0t h LYS 50 N 0.94 1.12 -0.17 3.15 3.64 0.12 -2.27 116.57 123.11 1h0t h LYS 50 Ca 0.16 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1h0t h LYS 50 Cb 0.58 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1h0t h LYS 50 CO 0.03 0.94 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.64 1h0t h LEU 51 N 1.09 0.44 -0.85 5.20 4.07 0.73 -0.66 115.31 125.32 1h0t h LEU 51 Ca 0.24 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1h0t h LEU 51 Cb 0.26 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 1h0t h LEU 51 CO -0.01 0.82 0.54 -1.13 -1.08 0.00 0.00 178.44 177.59 1h0t h ASN 52 N 0.34 0.90 0.19 -0.43 -1.24 -0.31 0.40 115.58 115.43 1h0t h ASN 52 Ca 0.02 -0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.71 1h0t h ASN 52 Cb 0.91 -0.20 0.02 0.00 0.73 0.00 0.00 38.32 39.78 1h0t h ASN 52 CO 0.08 0.62 -1.50 -0.78 -1.29 0.00 0.00 177.43 174.55 1h0t h ASP 53 N 1.05 0.64 -0.52 1.15 1.82 -1.41 -2.30 116.42 116.87 1h0t h ASP 53 Ca 0.34 -0.92 -0.05 0.00 -0.39 0.00 0.00 57.03 56.01 1h0t h ASP 53 Cb 0.02 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 1h0t h ASP 53 CO -0.12 1.69 0.13 0.00 -1.61 0.00 0.00 179.24 179.34 1h0t h ALA 54 N 0.09 0.68 -0.15 -0.78 0.00 -0.97 -2.43 119.26 115.70 1h0t h ALA 54 Ca -0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1h0t h ALA 54 Cb 2.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1h0t h ALA 54 CO 0.19 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.84 1h0t n GLN 55 N -4.45 1.69 -1.56 0.00 6.02 0.14 -4.95 117.38 114.27 1h0t n GLN 55 Ca 0.02 -1.03 -0.33 0.00 -0.01 0.00 0.00 57.00 55.65 1h0t n GLN 55 Cb 0.22 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.16 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 -1.80 2.29 -1.15 -1.58 0.00 -0.86 -4.89 121.76 113.77 1h0t s ALA 56 Ca 0.32 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 1h0t s ALA 56 Cb 0.17 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1h0t s ALA 56 CO 0.26 -1.58 2.03 -0.35 0.00 0.00 0.00 175.76 176.13 1h0t n PRO 57 N -2.70 2.26 0.00 0.00 -0.04 -1.26 -5.03 135.00 128.23 1h0t n PRO 57 Ca 0.11 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1h0t n PRO 57 Cb 0.52 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1h0t n PRO 57 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82