#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juj h THR 2 N 0.00 1.16 -1.65 0.00 2.02 -2.11 -3.37 112.91 108.95 2juj h THR 2 Ca 0.00 -2.53 -0.77 0.00 0.77 0.00 0.00 66.41 63.89 2juj h THR 2 Cb 0.00 2.90 -0.18 0.00 -1.74 0.00 0.00 68.15 69.14 2juj h THR 2 CO 0.00 0.78 1.83 0.00 0.37 0.00 0.00 175.52 178.49 2juj n ALA 3 N -2.82 5.58 -1.94 6.16 0.00 -1.26 -4.99 120.51 121.24 2juj n ALA 3 Ca -0.21 -4.38 -0.42 0.00 0.00 0.00 0.00 53.44 48.43 2juj n ALA 3 Cb 0.98 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 2juj n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2juj s SER 4 N 0.20 6.61 0.44 0.00 1.04 -1.26 -4.90 113.70 115.84 2juj s SER 4 Ca 0.40 2.52 0.19 0.00 0.48 0.00 0.00 55.95 59.55 2juj s SER 4 Cb 0.10 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.69 2juj s SER 4 CO 0.01 -0.86 1.94 1.55 0.98 0.00 0.00 173.24 176.86 2juj h PRO 5 N 7.73 0.00 -0.14 4.02 0.13 -1.96 -2.64 132.00 139.14 2juj h PRO 5 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 2juj h PRO 5 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2juj h PRO 5 CO 0.92 0.24 -0.38 1.96 -0.23 0.00 0.00 178.00 180.52 2juj h GLN 6 N 0.00 0.51 -0.19 0.86 4.20 -1.98 -0.30 115.11 118.21 2juj h GLN 6 Ca -0.00 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 2juj h GLN 6 Cb 0.50 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2juj h GLN 6 CO 0.03 0.97 0.12 1.25 -0.67 0.00 0.00 178.83 180.53 2juj h LEU 7 N 0.13 0.23 -1.48 1.46 6.46 -1.93 0.28 115.31 120.46 2juj h LEU 7 Ca -0.01 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 2juj h LEU 7 Cb 0.99 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 2juj h LEU 7 CO 0.08 0.21 0.42 -1.28 -0.62 0.00 0.00 178.44 177.24 2juj h SER 8 N 0.23 0.56 0.14 1.25 0.87 -1.44 -0.80 113.55 114.36 2juj h SER 8 Ca 0.07 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2juj h SER 8 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2juj h SER 8 CO -0.01 0.37 -0.26 0.28 -0.53 0.00 0.00 176.83 176.68 2juj h SER 9 N 0.65 0.21 -0.39 6.23 0.02 0.60 -1.75 113.55 119.12 2juj h SER 9 Ca 0.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2juj h SER 9 Cb 0.23 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2juj h SER 9 CO -0.08 0.47 0.20 -0.33 -1.14 0.00 0.00 176.83 175.95 2juj h GLU 10 N 0.19 0.56 -0.16 3.45 4.39 0.50 0.14 114.58 123.65 2juj h GLU 10 Ca 0.03 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2juj h GLU 10 Cb 0.57 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2juj h GLU 10 CO 0.04 0.48 0.05 0.82 -1.16 0.00 0.00 179.01 179.24 2juj h ILE 11 N 0.50 0.96 0.00 3.13 5.03 -1.33 -2.23 117.51 123.57 2juj h ILE 11 Ca 0.14 -0.04 -0.01 0.00 -0.12 0.00 0.00 64.86 64.82 2juj h ILE 11 Cb 0.09 0.82 -0.00 0.00 -3.03 0.00 0.00 36.82 34.71 2juj h ILE 11 CO -0.02 0.02 -0.04 -0.33 -0.68 0.00 0.00 178.15 177.11 2juj h GLU 12 N 0.13 0.00 0.03 2.37 5.08 -0.78 0.32 114.58 121.74 2juj h GLU 12 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2juj h GLU 12 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2juj h GLU 12 CO -0.07 0.04 -0.02 -0.97 -1.00 0.00 0.00 179.01 176.99 2juj h ASN 13 N 0.00 -0.04 1.53 1.42 -0.73 -0.09 -1.08 115.58 116.59 2juj h ASN 13 Ca -0.00 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 2juj h ASN 13 Cb 0.09 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2juj h ASN 13 CO 0.00 0.12 -0.49 0.17 -0.37 0.00 0.00 177.43 176.87 2juj h LEU 14 N -0.19 0.00 -0.54 0.34 -0.00 -1.41 -3.25 115.31 110.26 2juj h LEU 14 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 2juj h LEU 14 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.78 2juj h LEU 14 CO 0.01 0.30 0.25 0.24 -0.00 0.00 0.00 178.44 179.24 2juj h MET 15 N 0.00 0.46 0.00 0.17 2.86 -0.77 -1.35 114.93 116.31 2juj h MET 15 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2juj h MET 15 Cb 1.25 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2juj h MET 15 CO 0.04 0.31 0.00 -1.13 1.06 0.00 0.00 176.91 177.18 2juj n SER 16 N -4.92 0.00 0.15 1.22 3.41 -0.42 -0.98 113.62 112.07 2juj n SER 16 Ca 0.06 -0.34 0.12 0.00 -0.26 0.00 0.00 58.87 58.44 2juj n SER 16 Cb 0.18 -0.13 0.12 0.00 -0.26 0.00 0.00 64.21 64.12 2juj n SER 16 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2juj h GLN 17 N 0.00 0.00 0.00 4.33 4.20 -1.35 -3.45 115.11 118.84 2juj h GLN 17 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2juj h GLN 17 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2juj h GLN 17 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2juj n GLY 18 N 1.17 1.06 3.56 3.46 0.00 -0.15 -4.42 105.19 109.87 2juj n GLY 18 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2juj n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2juj s TYR 19 N -2.00 1.63 -0.16 1.61 2.02 -1.23 -4.89 117.35 114.33 2juj s TYR 19 Ca 0.00 1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 57.80 2juj s TYR 19 Cb 0.00 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 2juj s TYR 19 CO 0.00 -3.48 0.02 -1.12 -1.57 0.00 0.00 175.55 169.40 2juj s SER 20 N -2.85 5.29 0.48 2.29 0.01 -1.26 -4.81 113.70 112.84 2juj s SER 20 Ca 0.67 0.02 0.14 0.00 1.31 0.00 0.00 55.95 58.09 2juj s SER 20 Cb -0.23 -1.85 1.11 0.00 0.21 0.00 0.00 66.02 65.26 2juj s SER 20 CO 0.62 0.20 2.07 0.10 0.41 0.00 0.00 173.24 176.64 2juj h TYR 21 N 6.52 0.07 0.10 2.43 -0.00 -1.97 -0.45 116.97 123.67 2juj h TYR 21 Ca -0.36 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.38 2juj h TYR 21 Cb 1.18 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.73 37.86 2juj h TYR 21 CO 0.56 0.12 -0.18 -0.56 -0.00 0.00 0.00 178.16 178.10 2juj h GLN 22 N 0.07 -0.33 0.00 0.10 3.07 -2.00 0.09 115.11 116.12 2juj h GLN 22 Ca 0.02 0.02 -0.07 0.00 0.09 0.00 0.00 58.65 58.71 2juj h GLN 22 Cb 0.12 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 2juj h GLN 22 CO 0.01 -0.22 -0.39 -0.44 0.09 0.00 0.00 178.83 177.87 2juj h ASP 23 N -0.34 0.00 -0.02 0.06 5.19 -1.88 -2.59 116.42 116.84 2juj h ASP 23 Ca 0.02 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2juj h ASP 23 Cb 0.36 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2juj h ASP 23 CO -0.10 0.32 -0.02 0.40 -3.12 0.00 0.00 179.24 176.72 2juj h ILE 24 N 0.00 0.94 -0.28 0.35 2.04 -0.74 0.57 117.51 120.40 2juj h ILE 24 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2juj h ILE 24 Cb 1.25 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2juj h ILE 24 CO 0.04 0.00 -0.16 -0.61 0.00 0.00 0.00 178.15 177.42 2juj h GLN 25 N -0.03 0.50 -0.37 2.37 -0.00 -0.99 -2.00 115.11 114.59 2juj h GLN 25 Ca 0.01 -0.15 0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2juj h GLN 25 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 2juj h GLN 25 CO -0.03 0.64 0.24 0.87 0.00 0.00 0.00 178.83 180.55 2juj h LYS 26 N 0.46 0.48 -0.85 1.69 1.57 -1.03 -2.59 116.57 116.29 2juj h LYS 26 Ca 0.08 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2juj h LYS 26 Cb 0.54 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2juj h LYS 26 CO 0.03 0.32 0.56 0.00 -0.57 0.00 0.00 179.45 179.79 2juj h ALA 27 N 1.14 1.48 -0.59 3.86 0.00 0.68 -2.37 119.26 123.46 2juj h ALA 27 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2juj h ALA 27 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2juj h ALA 27 CO -0.04 0.44 0.17 -0.07 0.00 0.00 0.00 179.25 179.75 2juj h LEU 28 N 1.05 0.83 -1.01 0.00 3.38 -1.00 0.28 115.31 118.85 2juj h LEU 28 Ca 0.34 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2juj h LEU 28 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2juj h LEU 28 CO -0.10 0.79 -0.48 -0.37 0.09 0.00 0.00 178.44 178.37 2juj h VAL 29 N 0.87 1.34 0.00 1.22 -1.51 -1.15 0.46 116.25 117.48 2juj h VAL 29 Ca 0.19 -1.65 -0.21 0.00 -1.23 0.00 0.00 66.70 63.80 2juj h VAL 29 Cb 0.27 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.27 2juj h VAL 29 CO -0.01 0.47 -1.30 -0.29 -1.23 0.00 0.00 177.57 175.22 2juj h ILE 30 N 0.03 0.94 -0.46 7.19 -0.00 -1.38 -3.33 117.51 120.49 2juj h ILE 30 Ca -0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 64.86 62.27 2juj h ILE 30 Cb 0.86 2.40 0.00 0.00 -0.00 0.00 0.00 36.82 40.08 2juj h ILE 30 CO 0.06 0.53 0.00 0.00 -0.00 0.00 0.00 178.15 178.75 2juj n ALA 31 N -2.42 2.62 -4.29 0.18 0.00 0.97 -4.91 120.51 112.67 2juj n ALA 31 Ca -0.08 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 52.11 2juj n ALA 31 Cb 0.92 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 2juj n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2juj n GLN 32 N 0.81 -1.45 -4.15 0.00 0.00 -0.00 0.34 117.38 112.93 2juj n GLN 32 Ca 0.16 0.17 -0.35 0.00 0.00 0.00 0.00 57.00 56.99 2juj n GLN 32 Cb 0.50 -4.01 -0.01 0.00 0.00 0.00 0.00 30.24 26.71 2juj n GLN 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2juj n ASN 33 N -2.83 -3.65 -4.79 2.61 6.94 0.14 -4.97 115.26 108.71 2juj n ASN 33 Ca -0.23 -0.96 -0.35 0.00 -0.02 0.00 0.00 54.58 53.02 2juj n ASN 33 Cb 0.65 -3.03 -0.03 0.00 -2.36 0.00 0.00 39.78 35.00 2juj n ASN 33 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2juj s ASN 34 N -3.31 6.42 0.02 0.53 -0.87 0.15 -5.00 114.94 112.88 2juj s ASN 34 Ca 0.72 1.98 -0.28 0.00 -1.57 0.00 0.00 52.86 53.71 2juj s ASN 34 Cb -0.38 -2.57 -0.15 0.00 -0.02 0.00 0.00 41.25 38.12 2juj s ASN 34 CO 0.90 -0.73 1.16 -0.29 -2.57 0.00 0.00 177.10 175.58 2juj h ILE 35 N 1.72 0.04 -0.12 0.60 2.10 -1.93 -3.15 117.51 116.77 2juj h ILE 35 Ca -0.49 -0.28 -0.08 0.00 1.08 0.00 0.00 64.86 65.09 2juj h ILE 35 Cb 1.22 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 2juj h ILE 35 CO 0.60 0.01 -0.22 -0.33 -1.08 0.00 0.00 178.15 177.12 2juj h GLU 36 N -1.24 0.36 -0.22 2.19 5.08 -1.96 -2.90 114.58 115.88 2juj h GLU 36 Ca -0.10 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 2juj h GLU 36 Cb 0.75 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2juj h GLU 36 CO 0.16 0.82 -0.12 1.98 -1.00 0.00 0.00 179.01 180.85 2juj h MET 37 N -0.06 0.37 0.14 2.33 4.05 -1.90 0.26 114.93 120.11 2juj h MET 37 Ca 0.01 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2juj h MET 37 Cb 0.81 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2juj h MET 37 CO 0.05 0.49 -0.07 0.00 0.23 0.00 0.00 176.91 177.62 2juj h ALA 38 N 1.53 -0.19 0.00 0.39 0.00 -1.58 0.22 119.26 119.63 2juj h ALA 38 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2juj h ALA 38 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2juj h ALA 38 CO 0.02 -0.39 -0.19 1.57 0.00 0.00 0.00 179.25 180.27 2juj h LYS 39 N -0.62 0.00 -0.01 0.00 2.10 -1.27 -1.82 116.57 114.94 2juj h LYS 39 Ca -0.02 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 2juj h LYS 39 Cb 0.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2juj h LYS 39 CO 0.03 0.19 -0.90 -0.91 -2.00 0.00 0.00 179.45 175.86 2juj h ASN 40 N 0.00 0.48 -0.51 7.07 2.35 -0.43 -1.40 115.58 123.14 2juj h ASN 40 Ca -0.00 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 2juj h ASN 40 Cb 0.34 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2juj h ASN 40 CO 0.02 1.16 0.02 0.40 -1.65 0.00 0.00 177.43 177.39 2juj h ILE 41 N 0.22 1.25 0.41 2.81 1.08 -0.39 0.54 117.51 123.43 2juj h ILE 41 Ca -0.07 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 2juj h ILE 41 Cb 1.52 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.08 2juj h ILE 41 CO 0.15 0.38 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.70 2juj h LEU 42 N 0.86 -0.56 -0.99 1.44 -0.00 -1.26 0.79 115.31 115.60 2juj h LEU 42 Ca 0.16 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.22 2juj h LEU 42 Cb 0.48 0.16 -0.10 0.00 -0.00 0.00 0.00 40.66 41.20 2juj h LEU 42 CO 0.02 -0.37 0.60 -0.09 -0.00 0.00 0.00 178.44 178.60 2juj h ARG 43 N -0.60 0.83 -0.11 1.13 1.12 -0.81 0.91 114.38 116.87 2juj h ARG 43 Ca -0.05 -0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.65 2juj h ARG 43 Cb 0.48 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2juj h ARG 43 CO 0.07 0.55 -0.42 0.93 -3.11 0.00 0.00 179.97 177.99 2juj h GLU 44 N 0.86 0.47 0.00 0.20 5.08 0.31 -3.44 114.58 118.05 2juj h GLU 44 Ca 0.53 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2juj h GLU 44 Cb 0.68 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2juj h GLU 44 CO -0.33 0.99 0.00 1.19 -1.00 0.00 0.00 179.01 179.87 2juj n PHE 45 N -4.31 0.00 -3.23 4.33 3.01 0.27 -4.99 117.46 112.55 2juj n PHE 45 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.99 2juj n PHE 45 Cb 0.55 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.95 2juj n PHE 45 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2juj s VAL 46 N 0.00 5.08 0.39 -4.37 0.11 0.21 -5.00 120.40 116.82 2juj s VAL 46 Ca 0.00 0.94 0.08 0.00 -2.93 0.00 0.00 61.98 60.06 2juj s VAL 46 Cb 0.00 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2juj s VAL 46 CO 0.00 0.12 0.19 -0.44 -3.33 0.00 0.00 175.10 171.64 2juj s SER 47 N 1.35 4.56 -0.15 3.54 0.01 -1.26 -4.07 113.70 117.68 2juj s SER 47 Ca 0.23 -0.95 -0.23 0.00 1.31 0.00 0.00 55.95 56.31 2juj s SER 47 Cb -0.15 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 2juj s SER 47 CO 0.09 -0.48 0.71 -0.63 0.41 0.00 0.00 173.24 173.34 2juj s ILE 48 N -2.53 4.99 -1.23 1.44 1.01 -1.26 -4.92 121.20 118.69 2juj s ILE 48 Ca 0.41 1.38 0.19 0.00 0.00 0.00 0.00 60.65 62.63 2juj s ILE 48 Cb 0.01 -4.02 0.67 0.00 0.01 0.00 0.00 42.46 39.13 2juj s ILE 48 CO 0.23 0.13 1.58 -1.20 0.00 0.00 0.00 174.94 175.67 2juj n SER 49 N 4.75 4.44 -4.90 3.58 7.64 -1.26 -4.96 113.62 122.90 2juj n SER 49 Ca 0.00 -2.35 -0.20 0.00 1.01 0.00 0.00 58.87 57.33 2juj n SER 49 Cb 0.50 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 2juj n SER 49 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2juj s SER 50 N -0.99 5.15 0.18 6.43 1.04 -1.26 -5.03 113.70 119.22 2juj s SER 50 Ca 0.48 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 56.03 2juj s SER 50 Cb 0.30 -0.56 0.12 0.00 0.10 0.00 0.00 66.02 65.97 2juj s SER 50 CO 0.25 -0.69 1.62 1.55 0.98 0.00 0.00 173.24 176.95 2juj h PRO 51 N 0.94 -0.13 0.00 4.02 0.13 -1.99 -3.47 132.00 131.51 2juj h PRO 51 Ca -0.41 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2juj h PRO 51 Cb 1.27 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2juj h PRO 51 CO 0.55 -0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.23 2juj n ALA 52 N -2.95 0.00 -1.87 -0.56 0.00 -1.26 -4.90 120.51 108.97 2juj n ALA 52 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2juj n ALA 52 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 2juj n ALA 52 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2juj n HIS 53 N 0.00 -0.33 -2.12 0.00 8.25 -1.26 -4.92 115.22 114.85 2juj n HIS 53 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2juj n HIS 53 Cb 0.00 -2.42 -0.00 0.00 1.12 0.00 0.00 29.99 28.69 2juj n HIS 53 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2juj n VAL 54 N -3.49 4.98 -2.51 1.59 0.31 -1.26 -4.73 118.33 113.21 2juj n VAL 54 Ca -0.13 -4.39 -0.37 0.00 -0.01 0.00 0.00 64.34 59.45 2juj n VAL 54 Cb 0.51 -2.16 0.01 0.00 -0.91 0.00 0.00 33.84 31.30 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2juj n ALA 55 N 2.35 5.81 -1.62 3.52 0.00 -1.26 -4.90 120.51 124.42 2juj n ALA 55 Ca 0.55 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.50 2juj n ALA 55 Cb 0.28 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2juj n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91