#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdm n ALA 2 N 0.00 0.00 -0.85 4.61 0.00 -1.26 -5.01 120.51 118.00 2gdm n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gdm n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gdm n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gdm n LEU 3 N 0.00 -1.13 -4.77 0.00 4.32 -1.26 -4.95 117.00 109.20 2gdm n LEU 3 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2gdm n LEU 3 Cb 0.00 -0.57 0.19 0.00 -1.62 0.00 0.00 43.42 41.42 2gdm n LEU 3 CO 0.00 0.00 0.74 0.42 -1.22 0.00 0.00 177.39 177.33 2gdm s THR 4 N 0.00 1.87 0.20 -5.08 -4.23 -1.26 -4.54 115.64 102.60 2gdm s THR 4 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 2gdm s THR 4 Cb 0.00 -2.75 -0.11 0.00 1.34 0.00 0.00 72.50 70.97 2gdm s THR 4 CO 0.00 0.00 1.45 -0.08 -0.54 0.00 0.00 174.62 175.45 2gdm h GLU 5 N -1.89 0.05 0.00 3.99 4.81 -1.99 -1.93 114.58 117.62 2gdm h GLU 5 Ca -0.47 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.53 2gdm h GLU 5 Cb 1.29 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2gdm h GLU 5 CO 0.45 0.82 -0.84 0.66 -0.73 0.00 0.00 179.01 179.37 2gdm h SER 6 N 0.03 0.07 -0.27 1.04 4.64 -1.99 -1.64 113.55 115.43 2gdm h SER 6 Ca -0.02 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2gdm h SER 6 Cb 1.41 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 2gdm h SER 6 CO 0.11 0.88 0.09 1.56 -0.87 0.00 0.00 176.83 178.60 2gdm h GLN 7 N 0.03 0.41 -0.17 4.77 4.20 -1.86 -2.30 115.11 120.19 2gdm h GLN 7 Ca -0.02 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2gdm h GLN 7 Cb 1.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 2gdm h GLN 7 CO 0.12 0.47 0.04 0.00 -0.67 0.00 0.00 178.83 178.78 2gdm h ALA 8 N 0.92 0.18 -0.96 3.87 0.00 -1.17 -1.91 119.26 120.19 2gdm h ALA 8 Ca 0.09 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2gdm h ALA 8 Cb 0.23 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2gdm h ALA 8 CO -0.00 -0.40 0.60 0.00 0.00 0.00 0.00 179.25 179.45 2gdm h ALA 9 N 1.12 1.76 -0.32 0.00 0.00 -1.22 -0.47 119.26 120.13 2gdm h ALA 9 Ca 0.08 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2gdm h ALA 9 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gdm h ALA 9 CO -0.10 -0.05 -0.39 -0.07 0.00 0.00 0.00 179.25 178.65 2gdm h LEU 10 N 0.75 0.89 -0.39 0.00 3.38 -1.03 0.12 115.31 119.03 2gdm h LEU 10 Ca 0.50 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2gdm h LEU 10 Cb 0.77 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2gdm h LEU 10 CO -0.27 1.20 0.20 0.58 0.09 0.00 0.00 178.44 180.25 2gdm h VAL 11 N 0.60 1.16 -0.78 1.22 2.07 -0.45 -1.66 116.25 118.41 2gdm h VAL 11 Ca 0.04 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2gdm h VAL 11 Cb 0.98 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2gdm h VAL 11 CO 0.09 0.17 0.39 0.50 0.02 0.00 0.00 177.57 178.74 2gdm h LYS 12 N 0.50 1.12 -0.31 1.57 3.64 -0.88 0.13 116.57 122.35 2gdm h LYS 12 Ca 0.14 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2gdm h LYS 12 Cb 0.09 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2gdm h LYS 12 CO -0.02 0.86 0.13 1.03 -2.27 0.00 0.00 179.45 179.18 2gdm h SER 13 N 1.10 0.42 0.01 4.20 0.87 -0.88 -1.91 113.55 117.35 2gdm h SER 13 Ca 0.27 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2gdm h SER 13 Cb 0.10 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2gdm h SER 13 CO -0.04 0.46 -0.37 0.77 -0.53 0.00 0.00 176.83 177.12 2gdm h SER 14 N 0.35 0.49 -0.44 6.23 4.64 -0.97 -2.22 113.55 121.63 2gdm h SER 14 Ca 0.10 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.10 2gdm h SER 14 Cb 0.17 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2gdm h SER 14 CO -0.01 0.82 -0.19 -0.25 -0.87 0.00 0.00 176.83 176.33 2gdm h TRP 15 N 0.40 1.03 -0.53 4.77 7.01 -0.62 -1.39 115.95 126.61 2gdm h TRP 15 Ca 0.04 -0.25 0.04 0.00 2.11 0.00 0.00 58.89 60.83 2gdm h TRP 15 Cb 0.83 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 2gdm h TRP 15 CO 0.03 1.04 0.29 0.93 -2.79 0.00 0.00 178.44 177.93 2gdm h GLU 16 N 0.73 0.54 -0.84 2.65 5.08 -0.98 -0.38 114.58 121.39 2gdm h GLU 16 Ca 0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2gdm h GLU 16 Cb 0.75 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2gdm h GLU 16 CO 0.06 0.36 0.45 1.49 -1.00 0.00 0.00 179.01 180.37 2gdm h GLU 17 N 0.56 1.18 -0.08 2.33 4.81 -1.21 -1.64 114.58 120.52 2gdm h GLU 17 Ca 0.23 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2gdm h GLU 17 Cb 0.11 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2gdm h GLU 17 CO -0.14 0.87 0.05 0.35 -0.73 0.00 0.00 179.01 179.41 2gdm h PHE 18 N 1.17 0.10 0.00 0.92 3.57 -0.67 -2.64 116.94 119.39 2gdm h PHE 18 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2gdm h PHE 18 Cb 0.04 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2gdm h PHE 18 CO 0.01 0.07 0.00 -1.71 -2.23 0.00 0.00 178.31 174.45 2gdm n ASN 19 N -5.03 0.56 0.21 0.41 5.15 -0.20 -2.25 115.26 114.11 2gdm n ASN 19 Ca -0.06 0.63 0.09 0.00 -0.60 0.00 0.00 54.58 54.64 2gdm n ASN 19 Cb 0.03 -0.75 0.42 0.00 -0.53 0.00 0.00 39.78 38.95 2gdm n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gdm h ALA 20 N 2.33 1.01 -2.12 5.20 0.00 -0.91 -3.36 119.26 121.41 2gdm h ALA 20 Ca 0.00 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 2gdm h ALA 20 Cb 0.37 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 17.75 2gdm h ALA 20 CO 0.00 0.32 -1.01 -1.71 0.00 0.00 0.00 179.25 176.85 2gdm n ASN 21 N -3.41 -0.34 0.03 0.00 4.05 -0.95 -4.99 115.26 109.65 2gdm n ASN 21 Ca 0.00 -2.54 -0.12 0.00 0.45 0.00 0.00 54.58 52.37 2gdm n ASN 21 Cb 0.45 -0.48 -0.08 0.00 1.23 0.00 0.00 39.78 40.91 2gdm n ASN 21 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 2gdm h ILE 22 N 3.46 1.08 -0.79 -1.44 1.08 -1.72 -1.32 117.51 117.85 2gdm h ILE 22 Ca 0.17 -0.23 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 2gdm h ILE 22 Cb 0.90 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 2gdm h ILE 22 CO 0.40 0.06 0.47 -0.65 -0.69 0.00 0.00 178.15 177.74 2gdm h PRO 23 N -0.09 0.83 0.56 2.37 0.11 -1.93 -1.32 132.00 132.53 2gdm h PRO 23 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2gdm h PRO 23 Cb 0.10 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.02 2gdm h PRO 23 CO -0.00 0.55 -0.27 -0.22 -0.21 0.00 0.00 178.00 177.85 2gdm h LYS 24 N 0.86 -0.72 0.00 1.05 3.64 -1.83 -3.15 116.57 116.42 2gdm h LYS 24 Ca 0.35 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2gdm h LYS 24 Cb 0.20 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2gdm h LYS 24 CO -0.19 -0.48 -0.22 0.45 -2.27 0.00 0.00 179.45 176.74 2gdm h HIS 25 N -1.10 0.00 0.03 1.91 3.86 -1.25 -0.94 115.15 117.67 2gdm h HIS 25 Ca -0.08 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.89 2gdm h HIS 25 Cb 0.57 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.05 2gdm h HIS 25 CO 0.01 0.22 -1.03 1.79 0.86 0.00 0.00 177.93 179.79 2gdm h THR 26 N 0.00 1.40 -0.09 2.45 1.35 -1.34 -0.70 112.91 115.98 2gdm h THR 26 Ca -0.00 -2.55 -0.00 0.00 -0.55 0.00 0.00 66.41 63.31 2gdm h THR 26 Cb 0.44 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2gdm h THR 26 CO 0.03 0.76 0.04 -0.74 -0.25 0.00 0.00 175.52 175.36 2gdm h HIS 27 N 0.21 0.13 -0.17 4.73 6.17 -1.48 -2.27 115.15 122.47 2gdm h HIS 27 Ca -0.10 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.01 2gdm h HIS 27 Cb 1.68 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 31.54 2gdm h HIS 27 CO 0.07 0.21 -0.06 -0.09 0.71 0.00 0.00 177.93 178.77 2gdm h ARG 28 N 0.02 -0.03 -0.39 5.26 9.65 -1.06 -1.97 114.38 125.86 2gdm h ARG 28 Ca 0.03 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 2gdm h ARG 28 Cb 0.13 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.62 2gdm h ARG 28 CO -0.00 -0.02 -0.30 0.35 2.80 0.00 0.00 179.97 182.80 2gdm h PHE 29 N -0.03 -0.82 -0.34 2.20 3.57 -0.96 -2.14 116.94 118.41 2gdm h PHE 29 Ca 0.09 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2gdm h PHE 29 Cb 0.16 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 2gdm h PHE 29 CO -0.21 -0.37 0.06 0.74 -2.23 0.00 0.00 178.31 176.30 2gdm h PHE 30 N -0.23 0.51 -0.34 0.41 0.04 -1.25 -1.54 116.94 114.53 2gdm h PHE 30 Ca 0.18 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.94 2gdm h PHE 30 Cb 0.52 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 2gdm h PHE 30 CO -0.52 0.47 0.16 0.82 -0.60 0.00 0.00 178.31 178.64 2gdm h ILE 31 N 0.49 0.96 -0.22 -0.55 1.08 -0.98 -2.60 117.51 115.70 2gdm h ILE 31 Ca 0.11 -0.11 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 2gdm h ILE 31 Cb 0.24 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2gdm h ILE 31 CO 0.00 0.06 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.10 2gdm h LEU 32 N 0.33 0.50 0.16 1.44 3.38 -1.03 -1.50 115.31 118.59 2gdm h LEU 32 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2gdm h LEU 32 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2gdm h LEU 32 CO -0.11 0.82 -0.16 0.58 0.09 0.00 0.00 178.44 179.65 2gdm h VAL 33 N 0.41 0.65 0.00 1.22 2.07 -1.12 -1.88 116.25 117.60 2gdm h VAL 33 Ca 0.04 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2gdm h VAL 33 Cb 0.81 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2gdm h VAL 33 CO 0.07 0.00 -0.30 -0.07 0.02 0.00 0.00 177.57 177.28 2gdm h LEU 34 N -0.35 0.00 -0.93 2.57 3.38 -1.24 -1.38 115.31 117.36 2gdm h LEU 34 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2gdm h LEU 34 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2gdm h LEU 34 CO -0.04 0.30 -0.41 -0.33 0.09 0.00 0.00 178.44 178.05 2gdm h GLU 35 N 0.00 0.24 0.02 1.13 5.08 -0.87 -2.43 114.58 117.75 2gdm h GLU 35 Ca -0.00 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.04 2gdm h GLU 35 Cb 0.70 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.97 2gdm h GLU 35 CO 0.04 0.62 -0.81 0.82 -1.00 0.00 0.00 179.01 178.68 2gdm h ILE 36 N 0.20 1.38 -2.11 3.13 2.04 -1.05 -3.42 117.51 117.68 2gdm h ILE 36 Ca 0.02 -2.20 -0.45 0.00 1.00 0.00 0.00 64.86 63.22 2gdm h ILE 36 Cb 0.82 2.59 -0.33 0.00 -0.74 0.00 0.00 36.82 39.16 2gdm h ILE 36 CO 0.06 0.65 -0.78 0.00 0.00 0.00 0.00 178.15 178.09 2gdm s ALA 37 N -3.16 0.19 0.44 1.87 0.00 -0.55 -5.00 121.76 115.56 2gdm s ALA 37 Ca -0.12 -1.51 0.18 0.00 0.00 0.00 0.00 51.96 50.51 2gdm s ALA 37 Cb 0.04 -1.89 1.10 0.00 0.00 0.00 0.00 23.12 22.38 2gdm s ALA 37 CO 0.86 -2.11 1.91 -1.35 0.00 0.00 0.00 175.76 175.08 2gdm h PRO 38 N 6.50 0.35 0.00 0.00 0.11 -1.67 -1.16 132.00 136.13 2gdm h PRO 38 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2gdm h PRO 38 Cb 1.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2gdm h PRO 38 CO 0.24 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 2gdm h ALA 39 N 1.64 1.00 0.00 -0.75 0.00 -1.94 -3.04 119.26 116.17 2gdm h ALA 39 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2gdm h ALA 39 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2gdm h ALA 39 CO -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 2gdm h ALA 40 N 2.00 1.08 -0.90 0.00 0.00 -1.57 -3.18 119.26 116.69 2gdm h ALA 40 Ca 0.00 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.12 2gdm h ALA 40 Cb 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 2gdm h ALA 40 CO 0.00 0.06 0.24 -0.22 0.00 0.00 0.00 179.25 179.33 2gdm h LYS 41 N 0.00 0.18 0.00 0.00 3.64 -1.73 -0.46 116.57 118.21 2gdm h LYS 41 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2gdm h LYS 41 Cb 0.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2gdm h LYS 41 CO 0.01 0.12 0.00 -0.44 -2.27 0.00 0.00 179.45 176.87 2gdm h ASP 42 N 0.19 0.00 1.77 4.20 3.32 -1.82 -2.48 116.42 121.60 2gdm h ASP 42 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 2gdm h ASP 42 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2gdm h ASP 42 CO -0.68 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 176.77 2gdm h LEU 43 N 0.00 0.00 -8.58 1.55 3.38 -1.32 -3.45 115.31 106.89 2gdm h LEU 43 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2gdm h LEU 43 Cb 0.29 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.82 2gdm h LEU 43 CO 0.00 0.00 -0.57 -0.36 0.09 0.00 0.00 178.44 177.60 2gdm s PHE 44 N -3.29 3.16 0.28 1.13 0.08 -0.93 -5.01 117.98 113.40 2gdm s PHE 44 Ca 0.06 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2gdm s PHE 44 Cb 0.06 -2.33 0.54 0.00 -0.57 0.00 0.00 43.02 40.72 2gdm s PHE 44 CO 0.64 -0.43 1.85 0.66 -0.10 0.00 0.00 175.22 177.83 2gdm h SER 45 N 8.32 0.95 0.62 1.36 4.64 -1.87 0.55 113.55 128.12 2gdm h SER 45 Ca -0.33 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2gdm h SER 45 Cb 1.15 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2gdm h SER 45 CO 0.60 0.52 0.00 2.22 -0.87 0.00 0.00 176.83 179.31 2gdm n PHE 46 N -4.59 0.00 -0.10 4.77 1.16 -1.26 -3.78 117.46 113.66 2gdm n PHE 46 Ca 0.18 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.55 2gdm n PHE 46 Cb 0.33 -0.34 -0.07 0.00 -1.61 0.00 0.00 39.48 37.79 2gdm n PHE 46 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2gdm n LEU 47 N -1.34 1.50 -3.72 5.98 4.77 0.02 -4.83 117.00 119.39 2gdm n LEU 47 Ca 0.12 0.26 -0.48 0.00 -0.03 0.00 0.00 56.01 55.87 2gdm n LEU 47 Cb 0.24 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2gdm n LEU 47 CO 0.22 0.35 0.43 0.29 -1.33 0.00 0.00 177.39 177.34 2gdm n LYS 48 N -3.97 0.00 -0.20 3.23 5.02 -0.26 0.12 118.16 122.10 2gdm n LYS 48 Ca -0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 2gdm n LYS 48 Cb 0.75 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 2gdm n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gdm n GLY 49 N 1.28 2.49 3.90 0.72 0.00 -1.26 -4.99 105.19 107.33 2gdm n GLY 49 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2gdm n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gdm s THR 50 N -3.15 3.63 -0.21 2.61 -4.23 0.12 -5.02 115.64 109.38 2gdm s THR 50 Ca 0.00 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 2gdm s THR 50 Cb 0.00 -3.48 -0.19 0.00 1.34 0.00 0.00 72.50 70.17 2gdm s THR 50 CO 0.00 -0.56 0.18 -0.24 -0.54 0.00 0.00 174.62 173.46 2gdm n SER 51 N -2.76 1.88 -4.43 3.99 2.88 -1.26 -4.98 113.62 108.94 2gdm n SER 51 Ca 0.05 0.41 -0.22 0.00 -1.33 0.00 0.00 58.87 57.78 2gdm n SER 51 Cb 0.57 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.98 2gdm n SER 51 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2gdm s GLU 52 N -2.38 1.55 0.04 -1.46 2.02 -1.26 -5.10 118.70 112.11 2gdm s GLU 52 Ca -0.29 -1.74 -0.30 0.00 0.02 0.00 0.00 54.97 52.65 2gdm s GLU 52 Cb 0.07 -1.37 -0.07 0.00 0.10 0.00 0.00 34.13 32.85 2gdm s GLU 52 CO 0.59 0.17 1.59 0.08 0.02 0.00 0.00 175.26 177.71 2gdm s VAL 53 N -2.82 3.28 0.46 2.63 1.01 -1.26 -4.95 120.40 118.75 2gdm s VAL 53 Ca 0.28 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 2gdm s VAL 53 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 2gdm s VAL 53 CO 0.12 -0.01 1.40 -0.81 0.00 0.00 0.00 175.10 175.80 2gdm n PRO 54 N 5.72 2.11 -0.03 2.72 -0.04 -1.26 -4.95 135.00 139.26 2gdm n PRO 54 Ca 0.15 0.76 -0.02 0.00 -0.04 0.00 0.00 63.50 64.35 2gdm n PRO 54 Cb 0.42 -2.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.15 2gdm n PRO 54 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gdm n GLN 55 N -0.30 0.66 -2.55 0.54 6.02 -1.26 -4.65 117.38 115.84 2gdm n GLN 55 Ca 0.06 0.04 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 2gdm n GLN 55 Cb 0.42 -1.63 0.02 0.00 1.02 0.00 0.00 30.24 30.07 2gdm n GLN 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2gdm n ASN 56 N -2.71 3.13 -4.52 1.08 4.13 -1.26 -4.86 115.26 110.25 2gdm n ASN 56 Ca -0.18 -3.17 -0.39 0.00 1.68 0.00 0.00 54.58 52.52 2gdm n ASN 56 Cb 0.92 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 38.57 2gdm n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2gdm s ASN 57 N -3.39 5.84 0.39 6.41 3.84 -1.26 -4.99 114.94 121.78 2gdm s ASN 57 Ca 0.38 -0.26 0.17 0.00 0.21 0.00 0.00 52.86 53.35 2gdm s ASN 57 Cb 0.42 -2.08 0.82 0.00 -0.55 0.00 0.00 41.25 39.86 2gdm s ASN 57 CO -0.06 -0.13 1.83 1.55 -2.79 0.00 0.00 177.10 177.49 2gdm h PRO 58 N 8.39 0.00 0.05 0.43 0.13 -1.98 -1.42 132.00 137.60 2gdm h PRO 58 Ca -0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2gdm h PRO 58 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gdm h PRO 58 CO 0.59 0.34 -0.02 0.93 -0.23 0.00 0.00 178.00 179.61 2gdm h GLU 59 N 0.00 -0.06 -0.03 0.86 5.08 -1.99 0.13 114.58 118.57 2gdm h GLU 59 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2gdm h GLU 59 Cb 0.69 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2gdm h GLU 59 CO 0.04 0.40 -0.20 1.25 -1.00 0.00 0.00 179.01 179.51 2gdm h LEU 60 N -0.55 -0.58 -0.00 1.33 6.46 -1.90 -1.65 115.31 118.42 2gdm h LEU 60 Ca -0.01 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2gdm h LEU 60 Cb 0.49 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 2gdm h LEU 60 CO 0.01 -0.26 -0.12 1.56 -0.62 0.00 0.00 178.44 179.02 2gdm h GLN 61 N -0.30 -0.19 -0.78 1.25 4.20 -1.27 -1.68 115.11 116.34 2gdm h GLN 61 Ca 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2gdm h GLN 61 Cb 0.39 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2gdm h GLN 61 CO -0.21 -0.13 0.42 0.00 -0.67 0.00 0.00 178.83 178.25 2gdm h ALA 62 N 0.77 1.26 0.84 3.87 0.00 -0.89 -1.37 119.26 123.74 2gdm h ALA 62 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2gdm h ALA 62 Cb 0.25 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2gdm h ALA 62 CO -0.12 0.59 -0.40 1.25 0.00 0.00 0.00 179.25 180.57 2gdm h HIS 63 N 1.10 -1.04 -0.77 0.00 -0.00 -1.03 -2.41 115.15 111.00 2gdm h HIS 63 Ca 0.28 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.62 2gdm h HIS 63 Cb 0.04 0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 2gdm h HIS 63 CO 0.01 -0.65 0.46 0.00 -0.00 0.00 0.00 177.93 177.75 2gdm h ALA 64 N -1.36 1.37 -0.27 5.26 0.00 -1.36 -1.28 119.26 121.62 2gdm h ALA 64 Ca -0.11 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2gdm h ALA 64 Cb 0.86 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2gdm h ALA 64 CO 0.19 0.54 0.02 0.78 0.00 0.00 0.00 179.25 180.78 2gdm h GLY 65 N 1.08 0.28 1.01 0.00 0.00 -1.22 -2.15 103.07 102.07 2gdm h GLY 65 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.62 2gdm h GLY 65 CO -0.05 -0.04 0.58 0.50 0.00 0.00 0.00 176.54 177.52 2gdm h LYS 66 N 0.11 1.18 0.15 4.80 1.57 -1.07 -1.63 116.57 121.69 2gdm h LYS 66 Ca 0.13 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2gdm h LYS 66 Cb 0.16 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2gdm h LYS 66 CO -0.20 0.79 -0.09 0.28 -0.57 0.00 0.00 179.45 179.67 2gdm h VAL 67 N 1.21 0.81 -0.59 0.50 2.07 -0.80 -1.82 116.25 117.64 2gdm h VAL 67 Ca 0.32 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.80 2gdm h VAL 67 Cb -0.12 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2gdm h VAL 67 CO -0.07 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.44 2gdm h PHE 68 N -0.23 0.94 -0.41 1.57 -1.00 -1.18 -2.24 116.94 114.40 2gdm h PHE 68 Ca -0.02 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.59 2gdm h PHE 68 Cb 0.19 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2gdm h PHE 68 CO -0.08 0.79 -0.08 -0.22 -1.61 0.00 0.00 178.31 177.11 2gdm h LYS 69 N 0.83 0.71 -0.32 1.51 3.64 -1.16 -1.41 116.57 120.37 2gdm h LYS 69 Ca 0.19 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 2gdm h LYS 69 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2gdm h LYS 69 CO -0.01 0.78 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.48 2gdm h LEU 70 N 0.66 0.83 -0.30 5.20 3.38 -1.18 0.06 115.31 123.95 2gdm h LEU 70 Ca 0.12 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2gdm h LEU 70 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2gdm h LEU 70 CO 0.03 1.13 -0.16 0.58 0.09 0.00 0.00 178.44 180.10 2gdm h VAL 71 N 0.63 1.30 -0.77 1.22 2.07 -1.23 0.26 116.25 119.73 2gdm h VAL 71 Ca 0.05 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2gdm h VAL 71 Cb 0.96 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2gdm h VAL 71 CO 0.09 0.41 0.50 0.22 0.02 0.00 0.00 177.57 178.81 2gdm h TYR 72 N 0.39 0.95 -0.19 1.57 3.20 -1.16 -1.72 116.97 120.01 2gdm h TYR 72 Ca 0.06 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2gdm h TYR 72 Cb 0.70 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2gdm h TYR 72 CO 0.06 0.58 -0.38 0.93 -1.64 0.00 0.00 178.16 177.72 2gdm h GLU 73 N 1.02 0.42 -0.75 1.82 5.08 -0.68 -2.20 114.58 119.28 2gdm h GLU 73 Ca 0.29 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2gdm h GLU 73 Cb -0.08 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2gdm h GLU 73 CO -0.08 0.74 0.42 0.00 -1.00 0.00 0.00 179.01 179.09 2gdm h ALA 74 N 1.25 0.97 -0.14 3.43 0.00 -0.09 -1.58 119.26 123.09 2gdm h ALA 74 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2gdm h ALA 74 Cb 0.83 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2gdm h ALA 74 CO 0.07 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 2gdm h ALA 75 N 1.22 0.07 -0.39 0.00 0.00 -0.77 -1.11 119.26 118.27 2gdm h ALA 75 Ca 0.27 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2gdm h ALA 75 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2gdm h ALA 75 CO -0.04 -0.50 0.07 0.82 0.00 0.00 0.00 179.25 179.59 2gdm h ILE 76 N -0.04 1.24 -0.46 0.00 1.08 -1.31 -2.45 117.51 115.58 2gdm h ILE 76 Ca 0.08 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.64 2gdm h ILE 76 Cb 0.15 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2gdm h ILE 76 CO -0.17 0.29 0.05 -0.61 -0.69 0.00 0.00 178.15 177.03 2gdm h GLN 77 N 0.50 0.71 -0.13 2.37 4.15 -0.95 -0.52 115.11 121.25 2gdm h GLN 77 Ca 0.12 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 2gdm h GLN 77 Cb 0.36 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2gdm h GLN 77 CO 0.01 0.69 -0.23 -0.07 -1.93 0.00 0.00 178.83 177.29 2gdm h LEU 78 N 0.68 0.21 0.19 -2.39 3.38 -1.13 0.64 115.31 116.90 2gdm h LEU 78 Ca 0.15 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.78 2gdm h LEU 78 Cb 0.34 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.07 2gdm h LEU 78 CO 0.01 0.46 -1.19 -0.08 0.09 0.00 0.00 178.44 177.72 2gdm h GLU 79 N 0.20 0.47 -0.03 1.13 4.22 -0.78 -1.85 114.58 117.95 2gdm h GLU 79 Ca 0.03 -0.76 -0.25 0.00 0.08 0.00 0.00 59.36 58.46 2gdm h GLU 79 Cb 0.53 0.28 0.02 0.00 0.50 0.00 0.00 28.75 30.07 2gdm h GLU 79 CO 0.04 1.36 -0.98 0.28 -2.18 0.00 0.00 179.01 177.53 2gdm h VAL 80 N -0.02 1.30 0.00 0.32 2.07 -1.05 -3.40 116.25 115.48 2gdm h VAL 80 Ca -0.20 -2.22 -0.12 0.00 0.82 0.00 0.00 66.70 64.97 2gdm h VAL 80 Cb 1.93 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.98 2gdm h VAL 80 CO 0.23 0.69 -1.60 0.35 0.02 0.00 0.00 177.57 177.25 2gdm n THR 81 N -3.85 0.45 -0.54 2.57 -2.24 0.21 -5.01 114.28 105.86 2gdm n THR 81 Ca -0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2gdm n THR 81 Cb 0.85 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2gdm n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gdm n GLY 82 N 2.26 0.75 3.34 3.38 0.00 -0.69 -5.01 105.19 109.21 2gdm n GLY 82 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2gdm n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gdm s VAL 83 N -2.57 0.00 -0.19 1.61 -7.23 -1.26 -4.95 120.40 105.80 2gdm s VAL 83 Ca 0.00 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2gdm s VAL 83 Cb 0.00 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2gdm s VAL 83 CO 0.00 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.06 2gdm s VAL 84 N -3.39 3.55 -0.02 1.32 1.01 -1.26 -3.04 120.40 118.57 2gdm s VAL 84 Ca 0.38 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2gdm s VAL 84 Cb 0.02 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2gdm s VAL 84 CO 0.25 0.45 0.89 -0.69 0.00 0.00 0.00 175.10 175.99 2gdm s VAL 85 N 1.06 4.91 -0.60 2.92 1.01 -1.26 -5.01 120.40 123.43 2gdm s VAL 85 Ca 0.01 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 2gdm s VAL 85 Cb -0.15 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.04 2gdm s VAL 85 CO 0.00 0.20 1.05 -0.89 0.00 0.00 0.00 175.10 175.46 2gdm s THR 86 N 0.90 4.20 0.00 3.92 2.01 -1.26 -4.97 115.64 120.44 2gdm s THR 86 Ca 0.47 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2gdm s THR 86 Cb -0.20 -4.66 0.00 0.00 0.01 0.00 0.00 72.50 67.65 2gdm s THR 86 CO 0.25 -1.31 0.00 -0.90 -0.69 0.00 0.00 174.62 171.96 2gdm n ASP 87 N 7.99 0.68 0.08 3.53 5.75 -1.26 -4.98 116.55 128.34 2gdm n ASP 87 Ca 0.03 -0.91 -0.05 0.00 -0.01 0.00 0.00 54.79 53.85 2gdm n ASP 87 Cb 0.48 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.70 2gdm n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gdm h ALA 88 N 0.58 0.89 -0.99 2.12 0.00 -1.99 -1.97 119.26 117.90 2gdm h ALA 88 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2gdm h ALA 88 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2gdm h ALA 88 CO 0.00 0.70 0.65 1.15 0.00 0.00 0.00 179.25 181.75 2gdm h THR 89 N 0.21 1.20 0.00 0.00 2.02 -1.99 0.12 112.91 114.47 2gdm h THR 89 Ca 0.00 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 2gdm h THR 89 Cb 1.04 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2gdm h THR 89 CO 0.09 0.23 -0.74 -0.07 0.37 0.00 0.00 175.52 175.40 2gdm h LEU 90 N 1.29 0.00 -0.40 2.58 3.38 -1.89 -2.24 115.31 118.03 2gdm h LEU 90 Ca 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 2gdm h LEU 90 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2gdm h LEU 90 CO -0.11 0.63 0.08 0.11 0.09 0.00 0.00 178.44 179.25 2gdm h LYS 91 N 0.00 0.64 -0.65 1.13 1.57 -0.89 0.81 116.57 119.18 2gdm h LYS 91 Ca -0.03 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2gdm h LYS 91 Cb 1.51 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 2gdm h LYS 91 CO 0.08 0.68 0.17 -0.97 -0.57 0.00 0.00 179.45 178.83 2gdm h ASN 92 N 0.50 0.97 -0.02 0.86 -1.24 -0.79 -2.04 115.58 113.82 2gdm h ASN 92 Ca 0.12 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 2gdm h ASN 92 Cb 0.33 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2gdm h ASN 92 CO 0.00 0.95 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.86 2gdm h LEU 93 N 0.95 0.33 -0.43 0.34 3.38 -1.04 -1.25 115.31 117.60 2gdm h LEU 93 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2gdm h LEU 93 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2gdm h LEU 93 CO 0.00 0.52 0.24 1.23 0.09 0.00 0.00 178.44 180.51 2gdm h GLY 94 N 0.88 0.63 0.71 0.83 0.00 -0.18 -2.09 103.07 103.85 2gdm h GLY 94 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2gdm h GLY 94 CO 0.03 0.27 -0.01 1.76 0.00 0.00 0.00 176.54 178.59 2gdm h SER 95 N 0.55 0.14 -0.65 0.19 0.02 -0.84 -2.52 113.55 110.44 2gdm h SER 95 Ca 0.15 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2gdm h SER 95 Cb 0.05 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.43 2gdm h SER 95 CO -0.02 0.45 -0.38 0.58 -1.14 0.00 0.00 176.83 176.32 2gdm h VAL 96 N -0.18 0.12 -0.61 2.27 2.07 -1.26 -0.79 116.25 117.87 2gdm h VAL 96 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 2gdm h VAL 96 Cb 0.39 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2gdm h VAL 96 CO 0.01 0.00 0.07 0.45 0.02 0.00 0.00 177.57 178.11 2gdm h HIS 97 N -0.15 1.10 -0.63 1.57 3.86 -1.27 -2.44 115.15 117.18 2gdm h HIS 97 Ca 0.23 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2gdm h HIS 97 Cb 0.56 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2gdm h HIS 97 CO -0.70 0.95 0.40 0.28 0.86 0.00 0.00 177.93 179.72 2gdm h VAL 98 N 0.93 1.11 -0.88 2.45 2.07 -1.04 -1.51 116.25 119.37 2gdm h VAL 98 Ca 0.18 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2gdm h VAL 98 Cb 0.47 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2gdm h VAL 98 CO 0.02 0.15 0.57 0.28 0.02 0.00 0.00 177.57 178.61 2gdm h SER 99 N 0.80 0.86 -0.31 0.57 0.02 -0.95 -2.72 113.55 111.81 2gdm h SER 99 Ca 0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2gdm h SER 99 Cb -0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2gdm h SER 99 CO -0.08 0.54 0.00 0.29 -1.14 0.00 0.00 176.83 176.44 2gdm n LYS 100 N -4.49 1.84 -2.57 3.45 4.76 -0.94 -4.95 118.16 115.25 2gdm n LYS 100 Ca 0.14 -1.29 -0.08 0.00 -2.87 0.00 0.00 58.31 54.20 2gdm n LYS 100 Cb 0.22 -1.33 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 2gdm n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gdm n GLY 101 N 1.12 0.24 3.79 0.72 0.00 -1.03 -4.94 105.19 105.10 2gdm n GLY 101 Ca 0.14 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2gdm n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdm s VAL 102 N -2.80 4.47 0.21 1.61 1.01 -0.59 -5.04 120.40 119.28 2gdm s VAL 102 Ca 0.12 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.66 2gdm s VAL 102 Cb -0.05 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2gdm s VAL 102 CO 0.15 0.42 -0.04 0.00 0.00 0.00 0.00 175.10 175.63 2gdm s ALA 103 N -1.27 1.79 0.24 5.51 0.00 -1.26 -4.51 121.76 122.26 2gdm s ALA 103 Ca 0.37 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2gdm s ALA 103 Cb -0.21 0.33 0.45 0.00 0.00 0.00 0.00 23.12 23.70 2gdm s ALA 103 CO 0.24 -0.18 1.71 -0.44 0.00 0.00 0.00 175.76 177.08 2gdm h ASP 104 N 2.53 0.16 0.13 0.00 5.19 -1.98 -1.43 116.42 121.02 2gdm h ASP 104 Ca -0.38 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2gdm h ASP 104 Cb 1.22 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2gdm h ASP 104 CO 0.64 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.80 2gdm n ALA 105 N -2.57 1.93 0.17 3.45 0.00 -1.26 -2.15 120.51 120.08 2gdm n ALA 105 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2gdm n ALA 105 Cb 0.43 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.72 2gdm n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gdm h HIS 106 N 0.00 0.00 -0.43 0.00 3.86 -1.67 -3.39 115.15 113.52 2gdm h HIS 106 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2gdm h HIS 106 Cb 0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2gdm h HIS 106 CO 0.00 0.29 0.23 0.74 0.86 0.00 0.00 177.93 180.05 2gdm h PHE 107 N 0.00 0.57 -0.02 2.45 -1.00 -1.56 -1.83 116.94 115.56 2gdm h PHE 107 Ca -0.01 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 2gdm h PHE 107 Cb 1.23 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 2gdm h PHE 107 CO 0.00 0.41 -0.29 -1.35 -1.61 0.00 0.00 178.31 175.47 2gdm h PRO 108 N 0.60 0.04 0.11 1.51 0.11 -1.80 -1.23 132.00 131.33 2gdm h PRO 108 Ca 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2gdm h PRO 108 Cb 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2gdm h PRO 108 CO -0.03 0.33 -0.05 0.28 -0.21 0.00 0.00 178.00 178.32 2gdm h VAL 109 N 0.03 0.92 -0.27 3.15 2.07 -1.59 -2.09 116.25 118.47 2gdm h VAL 109 Ca 0.00 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 2gdm h VAL 109 Cb 0.54 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2gdm h VAL 109 CO 0.04 0.03 -0.32 0.58 0.02 0.00 0.00 177.57 177.91 2gdm h VAL 110 N -0.19 1.28 0.08 2.57 2.07 -1.43 -2.25 116.25 118.38 2gdm h VAL 110 Ca -0.01 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.09 2gdm h VAL 110 Cb 0.15 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2gdm h VAL 110 CO 0.02 0.46 -0.35 0.50 0.02 0.00 0.00 177.57 178.22 2gdm h LYS 111 N 0.49 -0.54 -0.64 1.57 3.64 -1.06 -0.08 116.57 119.95 2gdm h LYS 111 Ca 0.06 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2gdm h LYS 111 Cb 0.80 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2gdm h LYS 111 CO 0.07 -0.36 0.41 0.93 -2.27 0.00 0.00 179.45 178.23 2gdm h GLU 112 N -0.56 0.85 -0.44 1.90 4.39 -1.32 -0.58 114.58 118.82 2gdm h GLU 112 Ca 0.04 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2gdm h GLU 112 Cb 0.61 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2gdm h GLU 112 CO -0.23 0.58 -0.29 0.00 -1.16 0.00 0.00 179.01 177.91 2gdm h ALA 113 N 1.58 0.64 -0.30 3.43 0.00 -1.15 0.22 119.26 123.69 2gdm h ALA 113 Ca 0.23 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2gdm h ALA 113 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2gdm h ALA 113 CO -0.05 0.68 0.16 0.82 0.00 0.00 0.00 179.25 180.86 2gdm h ILE 114 N 0.82 1.13 -0.75 0.00 2.04 -0.60 -1.36 117.51 118.79 2gdm h ILE 114 Ca 0.09 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2gdm h ILE 114 Cb 0.87 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2gdm h ILE 114 CO 0.08 0.13 0.35 -0.07 0.00 0.00 0.00 178.15 178.64 2gdm h LEU 115 N 0.36 1.00 -0.38 1.44 3.38 -0.91 -1.44 115.31 118.76 2gdm h LEU 115 Ca 0.10 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2gdm h LEU 115 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2gdm h LEU 115 CO -0.02 0.87 -0.62 0.11 0.09 0.00 0.00 178.44 178.86 2gdm h LYS 116 N 1.07 0.65 0.59 1.13 1.57 -0.87 -2.22 116.57 118.49 2gdm h LYS 116 Ca 0.26 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2gdm h LYS 116 Cb 0.14 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2gdm h LYS 116 CO -0.03 1.07 -0.47 1.15 -0.57 0.00 0.00 179.45 180.61 2gdm h THR 117 N 0.48 0.07 -1.00 -0.16 2.02 -0.86 -2.18 112.91 111.28 2gdm h THR 117 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 2gdm h THR 117 Cb 1.21 0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 2gdm h THR 117 CO 0.12 0.00 0.62 0.40 0.37 0.00 0.00 175.52 177.03 2gdm h ILE 118 N -1.03 0.79 -0.53 3.11 1.08 -1.31 -0.43 117.51 119.18 2gdm h ILE 118 Ca -0.07 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 64.17 2gdm h ILE 118 Cb 0.87 -0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.42 2gdm h ILE 118 CO 0.00 0.16 0.23 0.50 -0.69 0.00 0.00 178.15 178.35 2gdm h LYS 119 N 0.85 0.43 -0.30 2.37 3.64 -1.17 -0.43 116.57 121.96 2gdm h LYS 119 Ca 0.55 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.82 2gdm h LYS 119 Cb 0.74 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2gdm h LYS 119 CO -0.34 0.28 -0.15 0.93 -2.27 0.00 0.00 179.45 177.91 2gdm h GLU 120 N 0.44 0.63 -0.34 1.90 5.08 -0.67 -2.05 114.58 119.57 2gdm h GLU 120 Ca 0.25 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2gdm h GLU 120 Cb 0.22 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2gdm h GLU 120 CO -0.22 0.86 0.02 0.28 -1.00 0.00 0.00 179.01 178.95 2gdm h VAL 121 N 0.38 0.78 0.00 3.13 2.07 -0.67 -3.09 116.25 118.85 2gdm h VAL 121 Ca 0.07 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2gdm h VAL 121 Cb 0.67 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2gdm h VAL 121 CO 0.04 0.02 -0.40 1.33 0.02 0.00 0.00 177.57 178.58 2gdm n VAL 122 N -5.15 0.15 -3.49 2.57 0.24 -0.21 -4.98 118.33 107.47 2gdm n VAL 122 Ca 0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2gdm n VAL 122 Cb 0.17 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2gdm n VAL 122 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdm n GLY 123 N 1.44 3.04 0.00 7.63 0.00 -0.78 -2.31 105.19 114.22 2gdm n GLY 123 Ca 0.05 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.79 2gdm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gdm n ALA 124 N 9.81 1.44 1.21 4.61 0.00 -1.26 -1.92 120.51 134.41 2gdm n ALA 124 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2gdm n ALA 124 Cb 0.00 -1.12 0.61 0.00 0.00 0.00 0.00 19.45 18.94 2gdm n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gdm n LYS 125 N -1.39 0.28 -1.71 0.00 5.02 -0.98 -4.93 118.16 114.47 2gdm n LYS 125 Ca 0.03 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 2gdm n LYS 125 Cb 0.07 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2gdm n LYS 125 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2gdm n TRP 126 N -1.31 2.06 -4.08 2.13 -0.00 -0.81 -5.02 117.44 110.42 2gdm n TRP 126 Ca 0.11 0.47 -0.10 0.00 -0.00 0.00 0.00 57.50 57.97 2gdm n TRP 126 Cb 0.30 -2.35 -0.08 0.00 -0.00 0.00 0.00 31.31 29.18 2gdm n TRP 126 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2gdm s SER 127 N -0.71 0.10 0.21 5.87 1.04 -1.26 -5.04 113.70 113.90 2gdm s SER 127 Ca 0.65 -1.10 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 2gdm s SER 127 Cb -0.47 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.22 2gdm s SER 127 CO 0.54 -0.90 1.82 -0.33 0.98 0.00 0.00 173.24 175.36 2gdm h GLU 128 N 2.57 1.05 -0.89 4.02 4.39 -2.00 -2.18 114.58 121.54 2gdm h GLU 128 Ca -0.32 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2gdm h GLU 128 Cb 1.23 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 2gdm h GLU 128 CO 0.49 0.78 0.50 1.49 -1.16 0.00 0.00 179.01 181.11 2gdm h GLU 129 N 1.04 1.23 -0.17 2.33 4.57 -1.99 -1.18 114.58 120.41 2gdm h GLU 129 Ca 0.27 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2gdm h GLU 129 Cb 0.03 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2gdm h GLU 129 CO -0.04 0.88 0.11 1.25 -1.18 0.00 0.00 179.01 180.03 2gdm h LEU 130 N 1.23 0.21 -0.22 1.64 5.85 -1.89 -1.31 115.31 120.83 2gdm h LEU 130 Ca 0.31 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2gdm h LEU 130 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2gdm h LEU 130 CO -0.05 0.18 0.10 -1.13 -0.34 0.00 0.00 178.44 177.20 2gdm h ASN 131 N 0.22 0.29 -0.50 1.25 -0.73 -0.99 -1.98 115.58 113.14 2gdm h ASN 131 Ca 0.06 -0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.13 2gdm h ASN 131 Cb 0.01 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 2gdm h ASN 131 CO -0.01 0.34 0.29 0.28 -0.37 0.00 0.00 177.43 177.96 2gdm h SER 132 N 0.22 0.47 0.35 1.15 0.02 -1.19 -0.77 113.55 113.80 2gdm h SER 132 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2gdm h SER 132 Cb 0.13 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2gdm h SER 132 CO -0.01 0.34 -0.22 0.00 -1.14 0.00 0.00 176.83 175.80 2gdm h ALA 133 N 1.22 -0.54 -0.19 3.77 0.00 -1.00 -0.14 119.26 122.39 2gdm h ALA 133 Ca 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2gdm h ALA 133 Cb 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gdm h ALA 133 CO -0.09 -0.81 -0.01 -1.49 0.00 0.00 0.00 179.25 176.85 2gdm h TRP 134 N -0.55 0.28 -0.14 0.00 4.06 -1.22 -1.84 115.95 116.55 2gdm h TRP 134 Ca -0.04 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2gdm h TRP 134 Cb 0.45 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2gdm h TRP 134 CO -0.09 0.30 0.05 1.15 -3.56 0.00 0.00 178.44 176.29 2gdm h THR 135 N 0.28 1.17 -0.05 1.49 2.02 -0.79 -1.18 112.91 115.85 2gdm h THR 135 Ca 0.06 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2gdm h THR 135 Cb 0.21 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2gdm h THR 135 CO 0.01 0.16 0.02 0.40 0.37 0.00 0.00 175.52 176.47 2gdm h ILE 136 N 0.06 1.12 -0.21 3.11 2.04 -0.76 -1.38 117.51 121.51 2gdm h ILE 136 Ca 0.05 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2gdm h ILE 136 Cb 0.20 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2gdm h ILE 136 CO -0.00 0.10 -0.14 0.00 0.00 0.00 0.00 178.15 178.10 2gdm h ALA 137 N 0.88 0.01 0.33 1.87 0.00 -1.35 -0.81 119.26 120.18 2gdm h ALA 137 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2gdm h ALA 137 Cb 0.14 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gdm h ALA 137 CO -0.00 -0.57 -0.21 -0.92 0.00 0.00 0.00 179.25 177.55 2gdm h TYR 138 N -0.14 -0.54 -0.81 0.00 5.03 -1.13 -1.92 116.97 117.46 2gdm h TYR 138 Ca 0.12 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.50 2gdm h TYR 138 Cb 0.32 0.19 -0.07 0.00 1.55 0.00 0.00 36.73 38.73 2gdm h TYR 138 CO -0.30 -0.32 0.48 -0.44 -1.32 0.00 0.00 178.16 176.26 2gdm h ASP 139 N -0.52 0.71 -0.37 -2.11 3.32 -1.00 -0.04 116.42 116.42 2gdm h ASP 139 Ca -0.03 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2gdm h ASP 139 Cb 0.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2gdm h ASP 139 CO 0.03 0.43 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.28 2gdm h GLU 140 N 0.83 0.90 -0.32 3.56 4.39 -1.11 -1.14 114.58 121.69 2gdm h GLU 140 Ca 0.38 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2gdm h GLU 140 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2gdm h GLU 140 CO -0.21 1.13 0.16 1.25 -1.16 0.00 0.00 179.01 180.17 2gdm h LEU 141 N 0.71 0.41 -1.10 1.33 5.85 -1.16 -2.76 115.31 118.60 2gdm h LEU 141 Ca 0.06 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2gdm h LEU 141 Cb 0.97 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2gdm h LEU 141 CO 0.09 0.41 0.61 0.00 -0.34 0.00 0.00 178.44 179.21 2gdm h ALA 142 N 1.02 1.38 -0.48 1.25 0.00 -0.91 -0.60 119.26 120.93 2gdm h ALA 142 Ca 0.11 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2gdm h ALA 142 Cb 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2gdm h ALA 142 CO -0.02 0.55 0.24 0.82 0.00 0.00 0.00 179.25 180.84 2gdm h ILE 143 N 1.21 0.96 -0.35 0.00 2.04 -0.91 0.17 117.51 120.62 2gdm h ILE 143 Ca 0.36 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 2gdm h ILE 143 Cb -0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2gdm h ILE 143 CO -0.10 0.09 -0.05 0.58 0.00 0.00 0.00 178.15 178.67 2gdm h VAL 144 N 0.47 1.27 -0.67 1.67 2.07 -1.29 -1.83 116.25 117.94 2gdm h VAL 144 Ca 0.21 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 2gdm h VAL 144 Cb 0.12 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2gdm h VAL 144 CO -0.15 0.36 0.15 0.40 0.02 0.00 0.00 177.57 178.35 2gdm h ILE 145 N 0.45 1.26 -0.27 4.57 2.04 -0.49 -1.89 117.51 123.19 2gdm h ILE 145 Ca 0.09 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 2gdm h ILE 145 Cb 0.54 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2gdm h ILE 145 CO 0.03 0.37 -0.11 0.11 0.00 0.00 0.00 178.15 178.55 2gdm h LYS 146 N 1.01 0.45 -0.58 2.37 1.57 -0.65 -1.12 116.57 119.62 2gdm h LYS 146 Ca 0.21 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2gdm h LYS 146 Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2gdm h LYS 146 CO 0.01 0.56 0.01 -0.22 -0.57 0.00 0.00 179.45 179.24 2gdm h LYS 147 N 0.42 1.02 0.00 3.15 3.11 -0.77 0.63 116.57 124.13 2gdm h LYS 147 Ca 0.08 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 2gdm h LYS 147 Cb 0.45 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2gdm h LYS 147 CO 0.02 1.01 0.00 0.93 -2.81 0.00 0.00 179.45 178.60 2gdm h GLU 148 N 0.91 0.00 0.01 1.90 4.39 -0.70 0.13 114.58 121.23 2gdm h GLU 148 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 2gdm h GLU 148 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2gdm h GLU 148 CO 0.03 0.00 -0.20 0.52 -1.16 0.00 0.00 179.01 178.20 2gdm h MET 149 N 0.00 0.12 -0.81 2.33 2.86 -0.69 0.93 114.93 119.68 2gdm h MET 149 Ca 0.00 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2gdm h MET 149 Cb 0.72 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 2gdm h MET 149 CO 0.00 0.92 0.47 0.22 1.06 0.00 0.00 176.91 179.58 2gdm h ASP 150 N -0.61 0.98 0.08 1.22 3.58 -0.79 -2.84 116.42 118.04 2gdm h ASP 150 Ca -0.03 -0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.12 2gdm h ASP 150 Cb 0.99 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.80 2gdm h ASP 150 CO 0.04 0.77 -0.85 0.44 -2.88 0.00 0.00 179.24 176.76 2gdm h ASP 151 N 1.11 0.75 -0.28 2.28 5.19 -0.71 -3.32 116.42 121.43 2gdm h ASP 151 Ca 0.29 -0.53 -0.19 0.00 -0.62 0.00 0.00 57.03 55.98 2gdm h ASP 151 Cb -0.01 -0.22 -0.08 0.00 0.18 0.00 0.00 39.33 39.19 2gdm h ASP 151 CO -0.05 1.32 0.20 0.00 -3.12 0.00 0.00 179.24 177.59 2gdm n ALA 152 N -2.58 4.78 0.00 3.45 0.00 0.32 -5.05 120.51 121.43 2gdm n ALA 152 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2gdm n ALA 152 Cb 0.78 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2gdm n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50