#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 7.36 -1.22 6.55 2.15 -1.26 -4.97 116.67 125.28 1h0t s ASP 2 Ca 0.00 1.73 -0.16 0.00 0.43 0.00 0.00 52.55 54.54 1h0t s ASP 2 Cb 0.00 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 1h0t s ASP 2 CO 0.00 -0.25 1.56 0.21 -0.17 0.00 0.00 175.17 176.52 1h0t s ASN 3 N 0.83 6.91 0.18 -0.34 2.47 -1.26 -4.98 114.94 118.75 1h0t s ASN 3 Ca 0.52 -2.61 -0.10 0.00 0.42 0.00 0.00 52.86 51.09 1h0t s ASN 3 Cb -0.22 -2.49 -0.07 0.00 -1.45 0.00 0.00 41.25 37.02 1h0t s ASN 3 CO 0.29 -1.00 0.50 -0.75 -3.72 0.00 0.00 177.10 172.42 1h0t s LYS 4 N 3.02 3.79 0.60 0.43 2.47 -1.26 -4.98 119.74 123.81 1h0t s LYS 4 Ca 0.47 0.24 0.34 0.00 -1.56 0.00 0.00 55.97 55.46 1h0t s LYS 4 Cb 0.00 -2.77 1.91 0.00 -1.46 0.00 0.00 37.83 35.50 1h0t s LYS 4 CO 0.03 0.40 2.24 0.74 0.16 0.00 0.00 175.35 178.92 1h0t h PHE 5 N 2.92 0.00 -0.92 4.03 0.04 -1.95 -2.24 116.94 118.80 1h0t h PHE 5 Ca -0.47 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.32 1h0t h PHE 5 Cb 1.18 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.28 1h0t h PHE 5 CO 0.63 0.03 0.61 -0.91 -0.60 0.00 0.00 178.31 178.06 1h0t h ASN 6 N 0.00 1.04 -0.30 2.17 2.35 -1.98 -0.82 115.58 118.03 1h0t h ASN 6 Ca -0.00 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1h0t h ASN 6 Cb 0.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1h0t h ASN 6 CO 0.00 0.74 0.13 0.11 -1.65 0.00 0.00 177.43 176.76 1h0t h LYS 7 N 1.22 0.51 -0.07 0.81 1.57 -1.80 -2.04 116.57 116.76 1h0t h LYS 7 Ca 0.35 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1h0t h LYS 7 Cb -0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1h0t h LYS 7 CO -0.09 0.43 -0.65 0.93 -0.57 0.00 0.00 179.45 179.50 1h0t h GLU 8 N 0.50 0.29 0.00 3.15 4.39 -1.25 -2.70 114.58 118.96 1h0t h GLU 8 Ca 0.12 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1h0t h GLU 8 Cb 0.12 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1h0t h GLU 8 CO -0.01 0.84 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.47 1h0t h LEU 9 N 0.21 0.00 0.20 1.33 3.38 -0.73 1.05 115.31 120.75 1h0t h LEU 9 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1h0t h LEU 9 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1h0t h LEU 9 CO 0.10 0.14 -0.09 -1.28 0.09 0.00 0.00 178.44 177.40 1h0t h SER 10 N 0.00 -0.22 0.00 -0.43 0.87 -1.16 0.13 113.55 112.75 1h0t h SER 10 Ca -0.00 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1h0t h SER 10 Cb 0.47 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1h0t h SER 10 CO 0.02 0.03 -0.11 0.58 -0.53 0.00 0.00 176.83 176.81 1h0t h VAL 11 N -0.48 0.50 -0.65 2.23 2.07 -1.43 -2.95 116.25 115.54 1h0t h VAL 11 Ca -0.03 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1h0t h VAL 11 Cb 0.36 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1h0t h VAL 11 CO 0.04 0.17 0.39 0.00 0.02 0.00 0.00 177.57 178.20 1h0t h ALA 12 N -0.72 0.83 0.67 1.67 0.00 0.10 -2.26 119.26 119.54 1h0t h ALA 12 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1h0t h ALA 12 Cb 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1h0t h ALA 12 CO -0.01 0.30 -0.32 0.78 0.00 0.00 0.00 179.25 180.00 1h0t h GLY 13 N 0.88 -0.94 1.06 0.00 0.00 -0.73 -2.57 103.07 100.77 1h0t h GLY 13 Ca 0.23 0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.94 1h0t h GLY 13 CO -0.04 -0.34 0.56 -0.09 0.00 0.00 0.00 176.54 176.62 1h0t h ARG 14 N -1.24 1.03 -0.58 4.80 1.12 -1.37 0.29 114.38 118.43 1h0t h ARG 14 Ca -0.09 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.64 1h0t h ARG 14 Cb 0.69 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1h0t h ARG 14 CO 0.15 0.68 0.05 0.93 -3.11 0.00 0.00 179.97 178.67 1h0t h GLU 15 N 1.06 0.99 0.00 0.20 5.08 -1.48 -1.69 114.58 118.74 1h0t h GLU 15 Ca 0.33 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1h0t h GLU 15 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1h0t h GLU 15 CO -0.10 0.96 -0.22 0.82 -1.00 0.00 0.00 179.01 179.48 1h0t h ILE 16 N 0.88 0.86 -0.20 3.13 2.04 -0.98 0.11 117.51 123.36 1h0t h ILE 16 Ca 0.17 -0.83 -0.17 0.00 1.00 0.00 0.00 64.86 65.02 1h0t h ILE 16 Cb 0.49 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1h0t h ILE 16 CO 0.02 0.21 -0.58 0.58 0.00 0.00 0.00 178.15 178.39 1h0t h VAL 17 N 0.00 1.31 -0.32 1.67 2.07 -0.10 -3.39 116.25 117.49 1h0t h VAL 17 Ca -0.00 -1.82 -0.24 0.00 0.82 0.00 0.00 66.70 65.46 1h0t h VAL 17 Cb 0.47 1.78 -0.38 0.00 -1.52 0.00 0.00 31.29 31.64 1h0t h VAL 17 CO 0.03 0.57 -1.04 1.07 0.02 0.00 0.00 177.57 178.22 1h0t n THR 18 N -3.96 1.08 -0.64 2.57 5.66 -0.74 -4.98 114.28 113.27 1h0t n THR 18 Ca -0.04 -2.52 -0.30 0.00 -3.05 0.00 0.00 64.05 58.14 1h0t n THR 18 Cb 0.63 0.90 0.21 0.00 -1.55 0.00 0.00 70.33 70.51 1h0t n THR 18 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1h0t s LEU 19 N -2.68 1.84 0.53 1.09 2.34 0.37 -4.89 118.68 117.28 1h0t s LEU 19 Ca 0.32 1.84 0.22 0.00 0.06 0.00 0.00 54.13 56.57 1h0t s LEU 19 Cb 0.35 -3.99 1.35 0.00 -0.56 0.00 0.00 46.19 43.34 1h0t s LEU 19 CO -0.07 -3.63 2.06 1.55 -1.06 0.00 0.00 176.35 175.20 1h0t h PRO 20 N -2.23 0.00 0.00 1.48 0.13 -1.96 -3.31 132.00 126.11 1h0t h PRO 20 Ca -0.52 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 1h0t h PRO 20 Cb 1.30 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1h0t h PRO 20 CO 0.46 0.00 -0.63 0.09 -0.23 0.00 0.00 178.00 177.70 1h0t n ASN 21 N -4.43 1.03 -4.91 1.44 3.02 -1.26 -5.06 115.26 105.09 1h0t n ASN 21 Ca 0.05 -2.51 -0.29 0.00 -0.03 0.00 0.00 54.58 51.80 1h0t n ASN 21 Cb 0.40 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1h0t n ASN 21 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1h0t s LEU 22 N -1.02 4.16 0.27 3.41 2.96 -1.25 -4.51 118.68 122.70 1h0t s LEU 22 Ca 0.24 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1h0t s LEU 22 Cb 0.25 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 1h0t s LEU 22 CO -0.07 -0.09 0.40 0.54 -1.32 0.00 0.00 176.35 175.81 1h0t s ASN 23 N -3.02 6.25 0.35 3.68 2.20 -1.26 -4.94 114.94 118.20 1h0t s ASN 23 Ca 0.41 0.07 0.08 0.00 -0.94 0.00 0.00 52.86 52.48 1h0t s ASN 23 Cb -0.11 -1.76 0.79 0.00 -2.00 0.00 0.00 41.25 38.16 1h0t s ASN 23 CO 0.28 -0.17 1.89 -2.24 -2.94 0.00 0.00 177.10 173.93 1h0t h ASP 24 N 1.07 0.67 -0.23 3.54 2.03 -1.99 -2.88 116.42 118.63 1h0t h ASP 24 Ca -0.51 0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 55.67 1h0t h ASP 24 Cb 1.23 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1h0t h ASP 24 CO 0.60 0.37 -0.42 1.55 -1.03 0.00 0.00 179.24 180.30 1h0t h PRO 25 N 0.72 0.79 0.17 4.15 0.13 -2.00 -2.57 132.00 133.40 1h0t h PRO 25 Ca 0.42 -0.42 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1h0t h PRO 25 Cb 0.59 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1h0t h PRO 25 CO -0.18 1.05 -0.08 1.96 -0.23 0.00 0.00 178.00 180.52 1h0t h GLN 26 N 0.64 -0.22 -0.76 0.86 4.20 -1.92 -2.56 115.11 115.35 1h0t h GLN 26 Ca 0.05 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1h0t h GLN 26 Cb 0.98 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.76 1h0t h GLN 26 CO 0.09 0.03 0.50 1.57 -0.67 0.00 0.00 178.83 180.35 1h0t h LYS 27 N -0.46 0.80 0.69 1.46 2.10 -1.61 0.98 116.57 120.53 1h0t h LYS 27 Ca -0.02 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1h0t h LYS 27 Cb 0.36 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1h0t h LYS 27 CO 0.04 0.53 -0.39 0.87 -2.00 0.00 0.00 179.45 178.50 1h0t h LYS 28 N 0.83 -0.96 -0.28 0.07 1.79 -1.29 0.34 116.57 117.06 1h0t h LYS 28 Ca 0.32 0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1h0t h LYS 28 Cb 0.21 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1h0t h LYS 28 CO -0.11 -0.64 0.16 0.00 -1.08 0.00 0.00 179.45 177.78 1h0t h ALA 29 N -1.37 1.76 0.19 3.86 0.00 -1.25 -0.81 119.26 121.62 1h0t h ALA 29 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1h0t h ALA 29 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1h0t h ALA 29 CO 0.11 0.21 -0.09 0.74 0.00 0.00 0.00 179.25 180.22 1h0t h PHE 30 N 0.38 -0.23 -0.67 0.00 0.04 -0.46 -0.34 116.94 115.66 1h0t h PHE 30 Ca 0.10 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1h0t h PHE 30 Cb -0.00 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1h0t h PHE 30 CO 0.00 0.02 0.20 0.82 -0.60 0.00 0.00 178.31 178.76 1h0t h ILE 31 N -0.48 1.25 -0.51 -0.55 2.04 -0.08 0.19 117.51 119.37 1h0t h ILE 31 Ca -0.03 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1h0t h ILE 31 Cb 0.36 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1h0t h ILE 31 CO 0.04 0.34 0.25 -0.26 0.00 0.00 0.00 178.15 178.52 1h0t h PHE 32 N 0.97 0.70 0.03 1.37 -1.00 -1.06 0.49 116.94 118.44 1h0t h PHE 32 Ca 0.21 -0.02 -0.21 0.00 2.81 0.00 0.00 57.97 60.76 1h0t h PHE 32 Cb 0.31 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1h0t h PHE 32 CO 0.02 0.51 -0.98 0.66 -1.61 0.00 0.00 178.31 176.91 1h0t h SER 33 N 0.72 0.19 -0.53 2.17 4.64 -0.53 -2.55 113.55 117.66 1h0t h SER 33 Ca 0.18 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1h0t h SER 33 Cb 0.07 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1h0t h SER 33 CO -0.03 1.06 0.06 0.25 -0.87 0.00 0.00 176.83 177.31 1h0t h LEU 34 N 0.06 0.89 0.04 5.97 5.85 0.40 0.20 115.31 128.72 1h0t h LEU 34 Ca -0.05 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1h0t h LEU 34 Cb 1.67 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1h0t h LEU 34 CO 0.14 0.92 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.89 1h0t h TRP 35 N 0.88 -0.05 -0.24 1.25 2.91 -0.06 -1.28 115.95 119.35 1h0t h TRP 35 Ca 0.17 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.04 1h0t h TRP 35 Cb 0.43 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 1h0t h TRP 35 CO 0.03 0.42 -0.46 0.22 -1.03 0.00 0.00 178.44 177.61 1h0t h ASP 36 N -0.54 0.68 -2.20 2.65 3.58 -1.43 -3.37 116.42 115.78 1h0t h ASP 36 Ca -0.01 -0.33 -0.58 0.00 0.42 0.00 0.00 57.03 56.53 1h0t h ASP 36 Cb 0.49 -0.19 -0.40 0.00 1.72 0.00 0.00 39.33 40.95 1h0t h ASP 36 CO 0.01 1.04 -0.88 0.47 -2.88 0.00 0.00 179.24 177.00 1h0t n ASP 37 N -4.00 1.47 0.00 2.28 8.00 0.69 -4.92 116.55 120.07 1h0t n ASP 37 Ca -0.02 -2.93 0.06 0.00 0.71 0.00 0.00 54.79 52.61 1h0t n ASP 37 Cb 0.56 -0.65 0.34 0.00 -0.02 0.00 0.00 41.12 41.35 1h0t n ASP 37 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1h0t n PRO 38 N 1.47 0.27 -0.14 -0.24 -0.04 -0.48 -2.67 135.00 133.17 1h0t n PRO 38 Ca 0.25 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 1h0t n PRO 38 Cb 0.47 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.77 1h0t n PRO 38 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1h0t h SER 39 N 0.00 0.68 -0.44 3.54 0.87 -1.91 0.12 113.55 116.40 1h0t h SER 39 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1h0t h SER 39 Cb 0.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1h0t h SER 39 CO 0.00 0.47 0.00 0.00 -0.53 0.00 0.00 176.83 176.77 1h0t n GLN 40 N -4.45 3.67 -0.34 2.24 6.02 -1.09 -4.57 117.38 118.86 1h0t n GLN 40 Ca 0.07 -2.28 0.02 0.00 -0.01 0.00 0.00 57.00 54.80 1h0t n GLN 40 Cb 0.10 -1.98 0.16 0.00 1.02 0.00 0.00 30.24 29.54 1h0t n GLN 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1h0t h SER 41 N 2.98 0.92 -0.24 1.08 4.64 -0.91 0.82 113.55 122.85 1h0t h SER 41 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1h0t h SER 41 Cb 1.48 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1h0t h SER 41 CO 0.32 0.58 0.10 0.00 -0.87 0.00 0.00 176.83 176.95 1h0t h ALA 42 N 1.43 0.31 -0.08 5.18 0.00 -1.80 -1.76 119.26 122.55 1h0t h ALA 42 Ca 0.41 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1h0t h ALA 42 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h0t h ALA 42 CO -0.18 -0.10 -0.32 -0.91 0.00 0.00 0.00 179.25 177.74 1h0t h ASN 43 N 0.24 0.15 -0.08 0.00 4.21 -1.70 -2.50 115.58 115.90 1h0t h ASN 43 Ca 0.08 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 1h0t h ASN 43 Cb 0.17 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1h0t h ASN 43 CO -0.01 0.47 0.00 -0.07 -1.29 0.00 0.00 177.43 176.53 1h0t h LEU 44 N 0.13 0.13 -0.65 1.61 3.38 0.11 0.32 115.31 120.34 1h0t h LEU 44 Ca 0.02 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1h0t h LEU 44 Cb 0.63 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1h0t h LEU 44 CO 0.05 0.40 0.35 0.25 0.09 0.00 0.00 178.44 179.57 1h0t h LEU 45 N -0.15 0.50 -0.22 1.67 5.85 -1.28 0.27 115.31 121.95 1h0t h LEU 45 Ca 0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1h0t h LEU 45 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1h0t h LEU 45 CO 0.00 0.32 0.07 0.00 -0.34 0.00 0.00 178.44 178.49 1h0t h ALA 46 N 1.35 0.29 -0.46 1.25 0.00 -1.22 -2.23 119.26 118.24 1h0t h ALA 46 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h0t h ALA 46 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h0t h ALA 46 CO -0.19 -0.08 0.31 0.93 0.00 0.00 0.00 179.25 180.21 1h0t h GLU 47 N 0.18 0.54 -0.08 0.00 4.39 0.42 0.12 114.58 120.16 1h0t h GLU 47 Ca 0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1h0t h GLU 47 Cb 0.24 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1h0t h GLU 47 CO -0.00 0.36 0.00 0.00 -1.16 0.00 0.00 179.01 178.21 1h0t h ALA 48 N 1.72 0.11 -0.60 3.43 0.00 -0.14 0.15 119.26 123.93 1h0t h ALA 48 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1h0t h ALA 48 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1h0t h ALA 48 CO -0.04 -0.23 0.27 0.87 0.00 0.00 0.00 179.25 180.12 1h0t h LYS 49 N -0.13 0.87 -0.79 0.00 1.57 -0.80 -1.29 116.57 115.99 1h0t h LYS 49 Ca 0.02 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1h0t h LYS 49 Cb 0.32 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1h0t h LYS 49 CO 0.00 0.72 0.32 0.87 -0.57 0.00 0.00 179.45 180.80 1h0t h LYS 50 N 0.82 1.18 -0.61 3.15 1.57 -0.66 -1.92 116.57 120.10 1h0t h LYS 50 Ca 0.20 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1h0t h LYS 50 Cb 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1h0t h LYS 50 CO -0.02 0.95 0.01 1.25 -0.57 0.00 0.00 179.45 181.07 1h0t h LEU 51 N 1.15 1.04 -1.33 2.94 5.85 -0.37 -2.31 115.31 122.29 1h0t h LEU 51 Ca 0.26 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1h0t h LEU 51 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1h0t h LEU 51 CO -0.02 1.09 0.28 -0.55 -0.34 0.00 0.00 178.44 178.89 1h0t h ASN 52 N 0.98 0.66 -0.04 1.25 7.08 -0.92 -1.74 115.58 122.85 1h0t h ASN 52 Ca 0.18 -0.05 -0.03 0.00 -3.08 0.00 0.00 56.30 53.31 1h0t h ASN 52 Cb 0.55 -0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 36.61 1h0t h ASN 52 CO 0.03 0.55 -0.06 -0.78 -2.08 0.00 0.00 177.43 175.09 1h0t h ASP 53 N 0.75 0.22 -0.21 6.14 3.58 -0.79 0.67 116.42 126.77 1h0t h ASP 53 Ca 0.19 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1h0t h ASP 53 Cb 0.04 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1h0t h ASP 53 CO -0.03 0.32 -0.32 0.00 -2.88 0.00 0.00 179.24 176.32 1h0t h ALA 54 N 1.71 0.82 0.13 -0.78 0.00 -1.05 -3.17 119.26 116.92 1h0t h ALA 54 Ca 0.05 -0.41 -0.28 0.00 0.00 0.00 0.00 54.91 54.27 1h0t h ALA 54 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h0t h ALA 54 CO 0.01 0.64 -1.31 1.96 0.00 0.00 0.00 179.25 180.56 1h0t h GLN 55 N 0.60 0.28 -3.30 0.00 4.20 -1.36 -3.47 115.11 112.06 1h0t h GLN 55 Ca 0.07 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.20 1h0t h GLN 55 Cb 0.85 0.18 -0.18 0.00 0.30 0.00 0.00 27.48 28.63 1h0t h GLN 55 CO 0.07 1.21 -0.28 0.00 -0.67 0.00 0.00 178.83 179.16 1h0t s ALA 56 N -2.65 -0.64 -0.89 3.87 0.00 0.19 -5.06 121.76 116.59 1h0t s ALA 56 Ca -0.05 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 1h0t s ALA 56 Cb 0.07 0.26 -0.11 0.00 0.00 0.00 0.00 23.12 23.34 1h0t s ALA 56 CO 0.88 -0.37 2.64 -0.35 0.00 0.00 0.00 175.76 178.56 1h0t n PRO 57 N 0.75 2.49 -0.01 0.00 -0.04 -1.26 -3.52 135.00 133.40 1h0t n PRO 57 Ca -0.19 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1h0t n PRO 57 Cb 0.59 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1h0t n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09