#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juj n THR 2 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 107.16 2juj n THR 2 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2juj n THR 2 Cb 0.00 0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2juj n ALA 3 N -0.31 0.00 -1.69 2.41 0.00 -1.26 -4.92 120.51 114.75 2juj n ALA 3 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.16 2juj n ALA 3 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 2juj n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2juj n SER 4 N 0.00 3.67 -0.01 0.00 7.64 -1.26 -4.87 113.62 118.78 2juj n SER 4 Ca 0.00 1.02 0.01 0.00 1.01 0.00 0.00 58.87 60.91 2juj n SER 4 Cb 0.00 -1.49 0.31 0.00 -1.01 0.00 0.00 64.21 62.03 2juj n SER 4 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2juj h PRO 5 N 7.63 0.55 0.00 1.43 0.13 -1.91 -2.74 132.00 137.09 2juj h PRO 5 Ca -0.46 -0.10 -0.18 0.00 -0.87 0.00 0.00 66.00 64.40 2juj h PRO 5 Cb 1.24 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2juj h PRO 5 CO 0.93 0.53 -0.85 -0.56 -0.23 0.00 0.00 178.00 177.82 2juj h GLN 6 N 0.53 0.00 -0.21 0.86 3.07 -1.96 0.55 115.11 117.96 2juj h GLN 6 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.84 2juj h GLN 6 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2juj h GLN 6 CO 0.00 0.85 0.06 1.25 0.09 0.00 0.00 178.83 181.08 2juj h LEU 7 N 0.00 0.30 -0.96 0.06 7.12 -1.89 0.50 115.31 120.44 2juj h LEU 7 Ca -0.01 -0.21 -0.04 0.00 0.13 0.00 0.00 57.88 57.75 2juj h LEU 7 Cb 1.55 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.57 2juj h LEU 7 CO 0.11 0.43 0.26 -1.28 -0.13 0.00 0.00 178.44 177.83 2juj h SER 8 N 0.16 0.93 0.30 1.25 0.87 -1.21 -1.19 113.55 114.66 2juj h SER 8 Ca 0.07 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2juj h SER 8 Cb 0.24 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2juj h SER 8 CO -0.00 0.84 -0.20 0.28 -0.53 0.00 0.00 176.83 177.22 2juj h SER 9 N 0.99 0.00 -0.40 6.23 0.02 0.47 -2.82 113.55 118.04 2juj h SER 9 Ca 0.23 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2juj h SER 9 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2juj h SER 9 CO -0.02 0.20 -0.05 -0.08 -1.14 0.00 0.00 176.83 175.74 2juj h GLU 10 N 0.00 0.75 -0.83 3.45 4.57 0.12 -1.27 114.58 121.37 2juj h GLU 10 Ca -0.00 -0.27 0.14 0.00 -1.18 0.00 0.00 59.36 58.05 2juj h GLU 10 Cb 0.41 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.85 2juj h GLU 10 CO 0.03 0.86 0.42 0.82 -1.18 0.00 0.00 179.01 179.96 2juj h ILE 11 N 0.57 0.73 0.00 2.32 5.03 -1.25 0.30 117.51 125.20 2juj h ILE 11 Ca 0.11 -0.21 -0.02 0.00 -0.12 0.00 0.00 64.86 64.63 2juj h ILE 11 Cb 0.56 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.42 2juj h ILE 11 CO 0.03 0.11 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.20 2juj h GLU 12 N 0.60 0.00 0.02 2.37 5.08 -1.05 -1.01 114.58 120.60 2juj h GLU 12 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2juj h GLU 12 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2juj h GLU 12 CO -0.36 0.08 -0.01 -0.97 -1.00 0.00 0.00 179.01 176.74 2juj h ASN 13 N 0.00 -0.03 1.00 1.42 -1.24 0.13 -2.14 115.58 114.72 2juj h ASN 13 Ca -0.00 -0.50 -0.05 0.00 0.71 0.00 0.00 56.30 56.46 2juj h ASN 13 Cb 0.25 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 2juj h ASN 13 CO 0.01 0.49 -0.25 0.17 -1.29 0.00 0.00 177.43 176.56 2juj h LEU 14 N -0.56 0.00 -1.57 0.34 -0.00 -1.44 -2.55 115.31 109.53 2juj h LEU 14 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 2juj h LEU 14 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.15 2juj h LEU 14 CO 0.01 0.25 0.40 0.24 -0.00 0.00 0.00 178.44 179.33 2juj h MET 15 N 0.00 0.49 0.00 0.17 2.86 -1.04 -0.40 114.93 117.01 2juj h MET 15 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2juj h MET 15 Cb 0.82 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2juj h MET 15 CO 0.03 0.32 0.00 0.45 1.06 0.00 0.00 176.91 178.78 2juj n SER 16 N -4.48 0.42 0.03 1.22 2.88 -0.82 -1.17 113.62 111.71 2juj n SER 16 Ca 0.09 0.63 0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2juj n SER 16 Cb 0.29 -0.71 0.34 0.00 -0.75 0.00 0.00 64.21 63.38 2juj n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2juj n GLN 17 N -1.99 0.13 0.00 -1.46 6.02 -0.16 -4.91 117.38 115.02 2juj n GLN 17 Ca 0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2juj n GLN 17 Cb 0.15 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2juj n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2juj n GLY 18 N 1.42 0.76 3.62 1.08 0.00 -0.32 -4.76 105.19 106.99 2juj n GLY 18 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2juj n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2juj n TYR 19 N -0.98 0.53 -3.58 1.61 4.01 -1.25 -4.86 117.16 112.64 2juj n TYR 19 Ca 0.00 0.37 -0.37 0.00 -0.16 0.00 0.00 57.90 57.74 2juj n TYR 19 Cb 0.00 -2.00 -0.06 0.00 -0.31 0.00 0.00 39.34 36.96 2juj n TYR 19 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2juj s SER 20 N -2.26 6.56 0.45 7.72 1.04 -1.26 -4.80 113.70 121.15 2juj s SER 20 Ca 0.68 0.66 0.21 0.00 0.48 0.00 0.00 55.95 57.97 2juj s SER 20 Cb -0.26 -2.19 1.08 0.00 0.10 0.00 0.00 66.02 64.76 2juj s SER 20 CO 0.57 0.23 1.95 0.10 0.98 0.00 0.00 173.24 177.06 2juj h TYR 21 N 5.72 0.00 -0.33 5.02 -0.00 -1.97 0.33 116.97 125.73 2juj h TYR 21 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.24 2juj h TYR 21 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.91 2juj h TYR 21 CO 0.67 0.23 0.14 -0.56 -0.00 0.00 0.00 178.16 178.63 2juj h GLN 22 N 0.00 0.49 0.00 0.10 3.07 -1.99 0.13 115.11 116.92 2juj h GLN 22 Ca -0.00 -0.09 -0.20 0.00 0.09 0.00 0.00 58.65 58.45 2juj h GLN 22 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.95 2juj h GLN 22 CO 0.03 0.49 -0.99 -0.44 0.09 0.00 0.00 178.83 178.00 2juj h ASP 23 N 0.39 0.00 -0.26 0.06 3.32 -1.85 -2.50 116.42 115.58 2juj h ASP 23 Ca 0.11 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.19 2juj h ASP 23 Cb 0.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2juj h ASP 23 CO -0.01 0.91 0.07 0.40 -1.72 0.00 0.00 179.24 178.89 2juj h ILE 24 N 0.00 0.91 -0.81 0.35 2.04 -0.16 0.34 117.51 120.18 2juj h ILE 24 Ca -0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2juj h ILE 24 Cb 1.73 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 2juj h ILE 24 CO 0.11 0.03 0.34 -0.61 0.00 0.00 0.00 178.15 178.02 2juj h GLN 25 N 0.18 1.20 -0.50 2.37 4.15 -0.99 -1.41 115.11 120.11 2juj h GLN 25 Ca 0.12 -0.21 0.08 0.00 0.77 0.00 0.00 58.65 59.41 2juj h GLN 25 Cb 0.10 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.53 2juj h GLN 25 CO -0.14 0.96 0.12 -0.22 -1.93 0.00 0.00 178.83 177.62 2juj h LYS 26 N 1.18 0.25 -0.83 1.69 3.64 -0.89 -0.77 116.57 120.84 2juj h LYS 26 Ca 0.27 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2juj h LYS 26 Cb 0.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2juj h LYS 26 CO -0.02 0.17 0.55 0.00 -2.27 0.00 0.00 179.45 177.87 2juj h ALA 27 N 1.38 1.05 -0.46 5.00 0.00 0.23 -2.75 119.26 123.71 2juj h ALA 27 Ca 0.25 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2juj h ALA 27 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2juj h ALA 27 CO -0.31 0.46 0.00 -0.07 0.00 0.00 0.00 179.25 179.33 2juj h LEU 28 N 1.12 0.71 -1.25 0.00 3.38 -0.14 0.42 115.31 119.55 2juj h LEU 28 Ca 0.31 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2juj h LEU 28 Cb -0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2juj h LEU 28 CO -0.07 0.78 -0.34 -0.37 0.09 0.00 0.00 178.44 178.53 2juj h VAL 29 N 0.70 1.26 0.05 1.22 -1.51 -0.90 0.29 116.25 117.37 2juj h VAL 29 Ca 0.14 -1.22 -0.29 0.00 -1.23 0.00 0.00 66.70 64.10 2juj h VAL 29 Cb 0.43 1.62 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 2juj h VAL 29 CO 0.02 0.35 -1.57 -0.29 -1.23 0.00 0.00 177.57 174.85 2juj h ILE 30 N 0.05 1.06 -0.05 7.19 -0.00 -1.36 -3.34 117.51 121.06 2juj h ILE 30 Ca 0.00 -2.81 0.00 0.00 -0.00 0.00 0.00 64.86 62.05 2juj h ILE 30 Cb 0.63 2.61 0.00 0.00 -0.00 0.00 0.00 36.82 40.06 2juj h ILE 30 CO 0.05 0.72 0.00 0.00 -0.00 0.00 0.00 178.15 178.91 2juj n ALA 31 N -2.60 2.58 -4.35 0.18 0.00 0.14 -4.88 120.51 111.58 2juj n ALA 31 Ca -0.16 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 2juj n ALA 31 Cb 1.03 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.45 -1.63 -3.53 0.00 0.00 0.73 -0.05 117.38 112.44 2juj n GLN 32 Ca 0.14 0.21 -0.19 0.00 0.00 0.00 0.00 57.00 57.16 2juj n GLN 32 Cb 0.14 -4.48 0.07 0.00 0.00 0.00 0.00 30.24 25.97 2juj n GLN 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2juj n ASN 33 N -2.68 -2.15 -4.90 2.61 4.13 0.50 -5.02 115.26 107.75 2juj n ASN 33 Ca -0.06 -0.68 -0.28 0.00 1.68 0.00 0.00 54.58 55.24 2juj n ASN 33 Cb 0.55 -4.79 0.03 0.00 -1.54 0.00 0.00 39.78 34.04 2juj n ASN 33 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2juj s ASN 34 N -4.26 5.67 -0.05 6.41 0.01 0.93 -5.04 114.94 118.61 2juj s ASN 34 Ca 0.06 0.95 -0.02 0.00 -0.71 0.00 0.00 52.86 53.14 2juj s ASN 34 Cb -0.03 -1.91 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 2juj s ASN 34 CO 0.76 -1.09 0.11 -0.29 -1.51 0.00 0.00 177.10 175.07 2juj h ILE 35 N -0.31 0.00 0.02 0.60 2.10 -1.95 -3.33 117.51 114.63 2juj h ILE 35 Ca -0.45 -0.53 -0.24 0.00 1.08 0.00 0.00 64.86 64.71 2juj h ILE 35 Cb 1.24 0.00 0.01 0.00 -1.09 0.00 0.00 36.82 36.98 2juj h ILE 35 CO 0.62 0.00 -1.00 1.05 -1.08 0.00 0.00 178.15 177.74 2juj h GLU 36 N -0.60 0.48 0.00 2.19 4.11 -1.97 -3.12 114.58 115.67 2juj h GLU 36 Ca -0.01 -0.54 -0.04 0.00 0.07 0.00 0.00 59.36 58.85 2juj h GLU 36 Cb 0.05 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2juj h GLU 36 CO 0.01 1.18 -0.18 1.98 0.07 0.00 0.00 179.01 182.07 2juj h MET 37 N 0.26 0.00 0.04 1.06 4.05 -1.91 0.73 114.93 119.17 2juj h MET 37 Ca -0.10 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2juj h MET 37 Cb 1.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 2juj h MET 37 CO 0.18 0.18 -0.02 0.00 0.23 0.00 0.00 176.91 177.48 2juj h ALA 38 N 1.82 -0.06 0.00 0.39 0.00 -1.67 -2.27 119.26 117.47 2juj h ALA 38 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2juj h ALA 38 Cb 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2juj h ALA 38 CO 0.02 -0.11 -0.00 1.57 0.00 0.00 0.00 179.25 180.73 2juj h LYS 39 N -0.91 0.00 -0.03 0.00 2.10 -1.45 -1.49 116.57 114.78 2juj h LYS 39 Ca -0.01 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 2juj h LYS 39 Cb 0.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.99 2juj h LYS 39 CO 0.01 0.00 -0.90 -0.91 -2.00 0.00 0.00 179.45 175.65 2juj h ASN 40 N 0.00 0.65 -0.47 7.07 2.35 -0.92 -2.63 115.58 121.63 2juj h ASN 40 Ca -0.00 -0.49 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 2juj h ASN 40 Cb 0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2juj h ASN 40 CO 0.00 1.28 -0.07 0.40 -1.65 0.00 0.00 177.43 177.39 2juj h ILE 41 N 0.31 1.26 -0.16 2.81 1.08 -0.70 -0.45 117.51 121.66 2juj h ILE 41 Ca -0.08 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 2juj h ILE 41 Cb 1.53 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 2juj h ILE 41 CO 0.16 0.42 0.05 -0.07 -0.69 0.00 0.00 178.15 178.02 2juj h LEU 42 N 0.84 0.05 -0.64 1.44 3.38 -1.29 0.56 115.31 119.65 2juj h LEU 42 Ca 0.14 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2juj h LEU 42 Cb 0.59 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 2juj h LEU 42 CO 0.04 0.05 0.21 -0.09 0.09 0.00 0.00 178.44 178.74 2juj h ARG 43 N 0.12 0.36 -0.28 1.13 1.12 -1.14 0.14 114.38 115.82 2juj h ARG 43 Ca 0.07 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.76 2juj h ARG 43 Cb 0.04 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 29.92 2juj h ARG 43 CO -0.07 0.24 -0.44 0.93 -3.11 0.00 0.00 179.97 177.51 2juj h GLU 44 N 0.37 0.80 0.00 0.20 5.08 -0.52 -3.41 114.58 117.09 2juj h GLU 44 Ca 0.33 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2juj h GLU 44 Cb 0.46 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2juj h GLU 44 CO -0.36 1.11 0.00 1.19 -1.00 0.00 0.00 179.01 179.95 2juj n PHE 45 N -4.12 0.00 -3.65 4.33 3.01 0.19 -5.01 117.46 112.21 2juj n PHE 45 Ca -0.04 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.04 2juj n PHE 45 Cb 0.56 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 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 -0.70 5.23 0.26 -4.37 0.11 0.44 -5.04 120.40 116.33 2juj s VAL 46 Ca 0.00 0.58 0.10 0.00 -2.93 0.00 0.00 61.98 59.73 2juj s VAL 46 Cb 0.00 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2juj s VAL 46 CO 0.00 0.58 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.86 2juj s SER 47 N -0.97 4.34 0.53 3.54 0.01 -1.26 -4.30 113.70 115.59 2juj s SER 47 Ca 0.20 -0.71 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2juj s SER 47 Cb -0.15 -0.73 0.04 0.00 0.21 0.00 0.00 66.02 65.39 2juj s SER 47 CO 0.09 0.02 0.46 -0.63 0.41 0.00 0.00 173.24 173.59 2juj s ILE 48 N -2.29 1.88 -2.14 1.44 1.01 -1.26 -4.96 121.20 114.87 2juj s ILE 48 Ca 0.30 -1.40 0.18 0.00 0.00 0.00 0.00 60.65 59.73 2juj s ILE 48 Cb -0.06 -2.28 0.43 0.00 0.01 0.00 0.00 42.46 40.56 2juj s ILE 48 CO 0.18 0.00 1.53 -1.20 0.00 0.00 0.00 174.94 175.45 2juj n SER 49 N -1.80 1.09 -4.73 3.58 7.64 -1.26 -4.88 113.62 113.26 2juj n SER 49 Ca 0.02 -1.68 -0.42 0.00 1.01 0.00 0.00 58.87 57.81 2juj n SER 49 Cb 0.63 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.72 2juj n SER 49 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2juj s SER 50 N -1.47 7.13 0.89 6.43 0.01 -1.26 -5.04 113.70 120.40 2juj s SER 50 Ca 0.28 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2juj s SER 50 Cb 0.14 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2juj s SER 50 CO 0.22 -0.38 0.00 -0.81 0.41 0.00 0.00 173.24 172.68 2juj n PRO 51 N 3.16 -1.01 0.00 12.44 -0.04 -1.26 -4.16 135.00 144.13 2juj n PRO 51 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2juj n PRO 51 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2juj n ALA 52 N -3.00 0.00 -3.28 0.55 0.00 -1.26 -4.68 120.51 108.84 2juj n ALA 52 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 2juj n ALA 52 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2juj n ALA 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2juj s HIS 53 N 0.00 4.11 -0.14 0.00 5.65 -1.26 -4.79 115.29 118.86 2juj s HIS 53 Ca 0.00 -2.53 -0.11 0.00 0.25 0.00 0.00 55.06 52.67 2juj s HIS 53 Cb 0.00 -3.91 -0.25 0.00 -1.18 0.00 0.00 32.58 27.24 2juj s HIS 53 CO 0.00 -1.02 0.35 -0.24 -0.65 0.00 0.00 174.74 173.18 2juj h VAL 54 N 3.94 0.72 -1.16 0.89 3.04 -1.83 -3.47 116.25 118.37 2juj h VAL 54 Ca 0.19 -2.31 0.16 0.00 -1.01 0.00 0.00 66.70 63.73 2juj h VAL 54 Cb 0.89 2.46 -0.28 0.00 -2.01 0.00 0.00 31.29 32.35 2juj h VAL 54 CO 1.02 0.76 0.46 0.00 -1.01 0.00 0.00 177.57 178.80 2juj s ALA 55 N -2.51 -2.57 -2.08 3.17 0.00 -1.26 -5.13 121.76 111.38 2juj s ALA 55 Ca -0.23 2.07 0.17 0.00 0.00 0.00 0.00 51.96 53.97 2juj s ALA 55 Cb 0.06 -1.91 0.13 0.00 0.00 0.00 0.00 23.12 21.40 2juj s ALA 55 CO 0.73 -0.53 1.03 2.41 0.00 0.00 0.00 175.76 179.40