#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 4.32 0.00 0.00 -1.04 -1.26 -4.36 114.28 111.94 2juj n THR 2 Ca 0.00 -3.72 0.00 0.00 -2.04 0.00 0.00 64.05 58.29 2juj n THR 2 Cb 0.00 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.11 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 3.89 2.11 -3.52 2.41 0.00 -1.26 -5.10 120.51 119.04 2juj n ALA 3 Ca 0.55 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 2juj n ALA 3 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 2juj n ALA 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2juj s SER 4 N 0.39 3.28 0.00 0.00 0.01 -1.26 -4.97 113.70 111.14 2juj s SER 4 Ca 0.00 -0.55 0.19 0.00 1.31 0.00 0.00 55.95 56.90 2juj s SER 4 Cb 0.00 -1.48 0.87 0.00 0.21 0.00 0.00 66.02 65.63 2juj s SER 4 CO 0.00 0.10 1.61 -2.65 0.41 0.00 0.00 173.24 172.71 2juj n PRO 5 N 3.96 0.09 0.04 12.44 -0.02 -1.26 -2.96 135.00 147.29 2juj n PRO 5 Ca -0.20 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.24 2juj n PRO 5 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.40 2juj n PRO 5 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2juj h GLN 6 N 0.00 0.70 -0.37 -0.52 4.20 -1.97 0.14 115.11 117.29 2juj h GLN 6 Ca 0.00 -0.73 -0.09 0.00 0.06 0.00 0.00 58.65 57.89 2juj h GLN 6 Cb 0.28 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2juj h GLN 6 CO 0.00 1.31 -0.14 1.25 -0.67 0.00 0.00 178.83 180.58 2juj h LEU 7 N 0.40 0.76 -1.81 1.46 7.12 -1.97 -1.83 115.31 119.45 2juj h LEU 7 Ca -0.12 -0.39 -0.03 0.00 0.13 0.00 0.00 57.88 57.48 2juj h LEU 7 Cb 1.66 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.57 2juj h LEU 7 CO 0.20 0.98 -0.13 -1.28 -0.13 0.00 0.00 178.44 178.07 2juj h SER 8 N 0.54 0.00 0.43 1.25 0.87 -1.52 -0.97 113.55 114.14 2juj h SER 8 Ca 0.09 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 2juj h SER 8 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2juj h SER 8 CO 0.05 0.13 -0.49 -1.28 -0.53 0.00 0.00 176.83 174.71 2juj h SER 9 N 0.00 0.08 -0.36 6.23 0.87 0.07 -2.71 113.55 117.73 2juj h SER 9 Ca -0.00 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2juj h SER 9 Cb 0.39 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2juj h SER 9 CO 0.02 0.56 0.20 -0.33 -0.53 0.00 0.00 176.83 176.75 2juj h GLU 10 N 0.06 0.39 -0.32 2.24 4.39 -0.40 0.06 114.58 121.00 2juj h GLU 10 Ca -0.00 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2juj h GLU 10 Cb 0.90 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.39 2juj h GLU 10 CO 0.07 0.26 -0.10 0.82 -1.16 0.00 0.00 179.01 178.89 2juj h ILE 11 N 0.40 0.63 0.00 3.13 5.03 -1.45 -0.86 117.51 124.40 2juj h ILE 11 Ca 0.15 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.88 2juj h ILE 11 Cb 0.03 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 34.45 2juj h ILE 11 CO -0.08 0.00 -0.04 -0.33 -0.68 0.00 0.00 178.15 177.01 2juj h GLU 12 N -0.03 0.00 0.07 2.37 4.39 -1.10 -0.92 114.58 119.36 2juj h GLU 12 Ca 0.16 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2juj h GLU 12 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2juj h GLU 12 CO -0.35 0.04 -0.04 -0.97 -1.16 0.00 0.00 179.01 176.54 2juj h ASN 13 N 0.00 -0.08 1.69 1.42 -0.73 0.49 -0.91 115.58 117.45 2juj h ASN 13 Ca -0.00 -0.17 -0.06 0.00 1.87 0.00 0.00 56.30 57.93 2juj h ASN 13 Cb 0.13 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2juj h ASN 13 CO 0.01 0.12 -0.31 0.17 -0.37 0.00 0.00 177.43 177.05 2juj h LEU 14 N -0.29 0.00 -1.21 0.34 -0.00 -1.39 -2.92 115.31 109.85 2juj h LEU 14 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 2juj h LEU 14 Cb 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.85 2juj h LEU 14 CO 0.02 0.29 0.57 0.24 -0.00 0.00 0.00 178.44 179.56 2juj h MET 15 N 0.00 0.88 0.00 0.17 2.86 -1.03 -0.62 114.93 117.20 2juj h MET 15 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2juj h MET 15 Cb 1.23 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2juj h MET 15 CO 0.04 0.58 0.00 0.45 1.06 0.00 0.00 176.91 179.04 2juj n SER 16 N -4.51 0.27 0.04 1.22 2.88 -0.36 -0.71 113.62 112.45 2juj n SER 16 Ca 0.14 0.60 0.11 0.00 -1.33 0.00 0.00 58.87 58.39 2juj n SER 16 Cb 0.27 -0.64 0.06 0.00 -0.75 0.00 0.00 64.21 63.15 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 -1.83 0.31 0.00 -1.46 6.02 -0.24 -4.95 117.38 115.22 2juj n GLN 17 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2juj n GLN 17 Cb 0.10 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.73 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 1.35 0.99 3.57 1.08 0.00 0.12 -5.03 105.19 107.27 2juj n GLY 18 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.52 -0.11 -4.46 1.61 4.01 -1.22 -4.82 117.16 111.64 2juj n TYR 19 Ca 0.00 0.17 -0.34 0.00 -0.16 0.00 0.00 57.90 57.57 2juj n TYR 19 Cb 0.00 -1.87 -0.11 0.00 -0.31 0.00 0.00 39.34 37.05 2juj n TYR 19 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2juj s SER 20 N -2.51 4.89 0.34 7.72 0.01 -1.26 -4.72 113.70 118.17 2juj s SER 20 Ca 0.67 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.97 2juj s SER 20 Cb -0.24 -1.49 0.68 0.00 0.21 0.00 0.00 66.02 65.18 2juj s SER 20 CO 0.61 0.30 1.95 1.88 0.41 0.00 0.00 173.24 178.39 2juj h TYR 21 N 5.75 0.85 -0.24 2.43 0.05 -1.97 -0.18 116.97 123.66 2juj h TYR 21 Ca -0.43 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.42 2juj h TYR 21 Cb 1.18 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.60 2juj h TYR 21 CO 0.57 0.45 -0.07 -0.56 -1.05 0.00 0.00 178.16 177.50 2juj h GLN 22 N 0.84 -0.02 0.00 4.88 3.07 -2.00 0.70 115.11 122.58 2juj h GLN 22 Ca 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.00 2juj h GLN 22 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2juj h GLN 22 CO -0.11 -0.01 -0.48 -0.44 0.09 0.00 0.00 178.83 177.88 2juj h ASP 23 N -0.02 0.00 -0.11 0.06 5.19 -1.91 -2.90 116.42 116.74 2juj h ASP 23 Ca 0.12 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2juj h ASP 23 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2juj h ASP 23 CO -0.26 0.31 -0.01 0.40 -3.12 0.00 0.00 179.24 176.56 2juj h ILE 24 N 0.00 0.91 -0.70 0.35 2.04 -0.11 0.40 117.51 120.40 2juj h ILE 24 Ca -0.02 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2juj h ILE 24 Cb 1.25 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2juj h ILE 24 CO 0.04 0.00 0.31 -0.61 0.00 0.00 0.00 178.15 177.90 2juj h GLN 25 N 0.02 1.01 -0.91 2.37 4.15 -0.93 -1.42 115.11 119.39 2juj h GLN 25 Ca 0.05 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.36 2juj h GLN 25 Cb 0.07 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 2juj h GLN 25 CO -0.09 0.80 0.60 0.87 -1.93 0.00 0.00 178.83 179.07 2juj h LYS 26 N 1.00 1.10 -0.54 1.69 1.57 -1.16 -1.13 116.57 119.09 2juj h LYS 26 Ca 0.24 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2juj h LYS 26 Cb 0.14 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2juj h LYS 26 CO -0.03 0.73 -0.05 0.00 -0.57 0.00 0.00 179.45 179.53 2juj h ALA 27 N 1.47 0.89 -0.54 3.86 0.00 0.64 -3.02 119.26 122.56 2juj h ALA 27 Ca 0.37 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2juj h ALA 27 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2juj h ALA 27 CO -0.11 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.82 2juj h LEU 28 N 0.88 0.80 -1.09 0.00 3.38 -0.24 0.26 115.31 119.30 2juj h LEU 28 Ca 0.15 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2juj h LEU 28 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2juj h LEU 28 CO 0.04 0.80 -0.41 -0.37 0.09 0.00 0.00 178.44 178.58 2juj h VAL 29 N 0.81 1.30 0.00 1.22 -1.51 -1.13 0.42 116.25 117.36 2juj h VAL 29 Ca 0.17 -1.46 -0.24 0.00 -1.23 0.00 0.00 66.70 63.95 2juj h VAL 29 Cb 0.33 1.73 -0.04 0.00 -2.13 0.00 0.00 31.29 31.19 2juj h VAL 29 CO 0.00 0.42 -1.39 -0.29 -1.23 0.00 0.00 177.57 175.09 2juj h ILE 30 N 0.08 1.05 -0.26 7.19 -0.00 -1.42 -3.32 117.51 120.84 2juj h ILE 30 Ca 0.01 -2.79 0.00 0.00 -0.00 0.00 0.00 64.86 62.08 2juj h ILE 30 Cb 0.76 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 40.07 2juj h ILE 30 CO 0.06 0.60 0.00 0.00 -0.00 0.00 0.00 178.15 178.81 2juj n ALA 31 N -2.45 2.47 -4.26 0.18 0.00 0.90 -4.91 120.51 112.44 2juj n ALA 31 Ca -0.10 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2juj n ALA 31 Cb 0.97 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 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 0.33 -0.89 -4.12 0.00 0.00 0.18 -0.05 117.38 112.82 2juj n GLN 32 Ca 0.12 0.10 -0.32 0.00 0.00 0.00 0.00 57.00 56.90 2juj n GLN 32 Cb 0.27 -3.40 -0.03 0.00 0.00 0.00 0.00 30.24 27.07 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 -2.74 -1.86 -4.84 2.61 6.94 0.12 -4.97 115.26 110.52 2juj n ASN 33 Ca -0.29 -1.02 -0.32 0.00 -0.02 0.00 0.00 54.58 52.93 2juj n ASN 33 Cb 0.67 -2.82 -0.03 0.00 -2.36 0.00 0.00 39.78 35.25 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 -3.79 6.50 0.00 0.53 -0.87 0.93 -5.03 114.94 113.21 2juj s ASN 34 Ca 0.40 1.59 0.00 0.00 -1.57 0.00 0.00 52.86 53.27 2juj s ASN 34 Cb -0.22 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 2juj s ASN 34 CO 0.92 -0.67 0.70 0.00 -2.57 0.00 0.00 177.10 175.48 2juj n ILE 35 N -1.71 0.00 0.05 0.60 3.06 -1.26 -3.39 119.36 116.71 2juj n ILE 35 Ca 0.07 1.19 -0.15 0.00 -2.50 0.00 0.00 62.75 61.36 2juj n ILE 35 Cb 0.54 -2.18 -0.05 0.00 0.54 0.00 0.00 39.64 38.49 2juj n ILE 35 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2juj h GLU 36 N 0.00 0.50 -0.51 9.51 4.39 -1.97 -3.19 114.58 123.31 2juj h GLU 36 Ca 0.00 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.15 2juj h GLU 36 Cb 0.00 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2juj h GLU 36 CO 0.00 1.15 0.16 1.98 -1.16 0.00 0.00 179.01 181.14 2juj h MET 37 N 0.30 0.76 0.17 2.33 4.05 -1.91 0.18 114.93 120.81 2juj h MET 37 Ca -0.08 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2juj h MET 37 Cb 1.55 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2juj h MET 37 CO 0.17 0.66 -0.08 0.00 0.23 0.00 0.00 176.91 177.89 2juj h ALA 38 N 1.43 -0.23 0.00 0.39 0.00 -1.60 -0.53 119.26 118.73 2juj h ALA 38 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2juj h ALA 38 Cb 0.22 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2juj h ALA 38 CO -0.01 -0.44 -0.14 1.57 0.00 0.00 0.00 179.25 180.23 2juj h LYS 39 N -0.59 0.00 0.04 0.00 2.10 -1.48 -2.42 116.57 114.21 2juj h LYS 39 Ca -0.02 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.40 2juj h LYS 39 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2juj h LYS 39 CO 0.04 0.14 -1.02 -0.91 -2.00 0.00 0.00 179.45 175.70 2juj h ASN 40 N 0.00 0.22 -0.40 7.07 2.35 -0.56 -2.94 115.58 121.32 2juj h ASN 40 Ca -0.00 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.42 2juj h ASN 40 Cb 0.26 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2juj h ASN 40 CO 0.02 1.10 -0.16 0.40 -1.65 0.00 0.00 177.43 177.13 2juj h ILE 41 N 0.06 1.27 0.29 2.81 1.08 -0.60 0.23 117.51 122.65 2juj h ILE 41 Ca -0.06 -1.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2juj h ILE 41 Cb 1.71 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.54 2juj h ILE 41 CO 0.15 0.44 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.76 2juj h LEU 42 N 0.78 -0.57 -0.68 1.44 3.38 -1.54 0.76 115.31 118.87 2juj h LEU 42 Ca 0.12 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2juj h LEU 42 Cb 0.70 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 2juj h LEU 42 CO 0.05 -0.34 -0.29 -0.09 0.09 0.00 0.00 178.44 177.86 2juj h ARG 43 N -0.51 -0.09 -0.34 1.13 2.43 -1.29 -0.10 114.38 115.61 2juj h ARG 43 Ca -0.02 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2juj h ARG 43 Cb 0.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2juj h ARG 43 CO -0.01 -0.06 0.02 0.93 -1.51 0.00 0.00 179.97 179.34 2juj h GLU 44 N -0.09 0.58 0.00 0.20 5.08 -0.24 -3.43 114.58 116.67 2juj h GLU 44 Ca 0.28 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2juj h GLU 44 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2juj h GLU 44 CO -0.74 0.69 0.00 1.19 -1.00 0.00 0.00 179.01 179.15 2juj n PHE 45 N -4.55 0.00 -2.97 4.33 3.01 0.26 -4.99 117.46 112.56 2juj n PHE 45 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 2juj n PHE 45 Cb 0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.68 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 4.95 0.50 -4.37 0.11 -0.15 -5.01 120.40 116.43 2juj s VAL 46 Ca 0.00 1.52 0.09 0.00 -2.93 0.00 0.00 61.98 60.66 2juj s VAL 46 Cb 0.00 -4.09 0.05 0.00 -1.53 0.00 0.00 36.38 30.81 2juj s VAL 46 CO 0.00 0.12 0.67 -0.94 -3.33 0.00 0.00 175.10 171.62 2juj s SER 47 N 1.04 5.36 -0.50 3.54 1.04 -1.26 -4.19 113.70 118.73 2juj s SER 47 Ca 0.37 -0.65 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 2juj s SER 47 Cb -0.17 -0.17 0.06 0.00 0.10 0.00 0.00 66.02 65.84 2juj s SER 47 CO 0.15 -1.05 0.60 -0.63 0.98 0.00 0.00 173.24 173.28 2juj s ILE 48 N -2.52 4.92 -2.49 -1.02 1.01 -1.26 -4.86 121.20 114.98 2juj s ILE 48 Ca 0.58 -0.56 0.23 0.00 0.00 0.00 0.00 60.65 60.90 2juj s ILE 48 Cb -0.08 -4.28 0.41 0.00 0.01 0.00 0.00 42.46 38.53 2juj s ILE 48 CO 0.36 -0.78 1.42 -1.20 0.00 0.00 0.00 174.94 174.74 2juj n SER 49 N 6.05 3.02 -4.21 3.58 7.64 -1.26 -4.86 113.62 123.59 2juj n SER 49 Ca -0.07 -1.93 -0.32 0.00 1.01 0.00 0.00 58.87 57.55 2juj n SER 49 Cb 0.45 -0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.56 3.22 0.19 6.43 0.01 -1.26 -4.97 113.70 115.76 2juj s SER 50 Ca 0.36 -0.56 0.10 0.00 1.31 0.00 0.00 55.95 57.17 2juj s SER 50 Cb 0.21 -1.46 -0.07 0.00 0.21 0.00 0.00 66.02 64.91 2juj s SER 50 CO 0.30 0.11 1.36 1.55 0.41 0.00 0.00 173.24 176.97 2juj h PRO 51 N 7.10 0.00 -1.61 12.44 0.13 -1.96 -3.42 132.00 144.68 2juj h PRO 51 Ca -0.28 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.61 2juj h PRO 51 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 2juj h PRO 51 CO 0.53 0.80 -0.58 0.00 -0.23 0.00 0.00 178.00 178.51 2juj s ALA 52 N -2.85 -1.17 -0.04 -0.56 0.00 -1.26 -5.10 121.76 110.78 2juj s ALA 52 Ca 0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2juj s ALA 52 Cb 0.09 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 2juj s ALA 52 CO 0.79 -2.07 1.42 -1.58 0.00 0.00 0.00 175.76 174.32 2juj s HIS 53 N 1.81 2.68 0.03 0.00 2.46 -1.26 -4.91 115.29 116.10 2juj s HIS 53 Ca 0.15 0.74 -0.30 0.00 0.47 0.00 0.00 55.06 56.11 2juj s HIS 53 Cb -0.11 -3.68 -0.09 0.00 -0.13 0.00 0.00 32.58 28.57 2juj s HIS 53 CO -0.11 -2.56 1.98 1.55 -2.47 0.00 0.00 174.74 173.13 2juj n VAL 54 N 4.96 0.76 -3.86 0.89 3.14 -1.26 -4.95 118.33 118.02 2juj n VAL 54 Ca 0.14 -0.14 -0.34 0.00 -2.96 0.00 0.00 64.34 61.03 2juj n VAL 54 Cb 0.44 -2.32 -0.13 0.00 -1.06 0.00 0.00 33.84 30.77 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2juj s ALA 55 N 4.54 3.15 -0.42 1.55 0.00 -1.26 -5.26 121.76 124.06 2juj s ALA 55 Ca 0.89 -2.71 0.03 0.00 0.00 0.00 0.00 51.96 50.18 2juj s ALA 55 Cb -0.44 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.42 2juj s ALA 55 CO 0.42 -1.83 0.61 0.25 0.00 0.00 0.00 175.76 175.21