#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws n THR 2 N 0.00 0.00 -2.44 4.28 -2.24 -1.26 -5.02 114.28 107.60 2jws n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2jws n THR 2 Cb 0.00 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2jws n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jws n TYR 3 N -2.55 -1.78 0.04 4.78 0.18 -1.26 -3.96 117.16 112.61 2jws n TYR 3 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2jws n TYR 3 Cb 0.00 -1.57 0.00 0.00 -0.38 0.00 0.00 39.34 37.39 2jws n TYR 3 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 2jws n LYS 4 N -2.56 0.00 -1.82 -3.48 0.00 -1.26 -5.15 118.16 103.89 2jws n LYS 4 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 2jws n LYS 4 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2jws n LYS 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jws n LEU 5 N -2.55 -5.79 -4.11 3.14 4.32 -1.25 -4.93 117.00 105.83 2jws n LEU 5 Ca 0.00 2.94 -0.36 0.00 -0.02 0.00 0.00 56.01 58.56 2jws n LEU 5 Cb 0.00 -2.85 -0.10 0.00 -1.62 0.00 0.00 43.42 38.84 2jws n LEU 5 CO 0.00 -1.21 -0.06 -0.63 -1.22 0.00 0.00 177.39 174.27 2jws s ILE 6 N -0.99 3.54 0.25 -0.08 1.01 -1.26 -5.07 121.20 118.60 2jws s ILE 6 Ca 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 60.65 58.18 2jws s ILE 6 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2jws s ILE 6 CO 0.00 -0.79 0.00 -0.76 0.00 0.00 0.00 174.94 173.39 2jws s LEU 7 N 0.54 2.18 0.00 2.97 1.02 -1.26 -5.05 118.68 119.08 2jws s LEU 7 Ca 0.13 -1.24 0.10 0.00 0.02 0.00 0.00 54.13 53.13 2jws s LEU 7 Cb -0.22 -0.30 0.16 0.00 0.02 0.00 0.00 46.19 45.86 2jws s LEU 7 CO -0.04 -0.52 0.99 -0.46 0.02 0.00 0.00 176.35 176.35 2jws n ASN 8 N -0.46 2.26 0.04 2.29 6.94 -1.26 -4.53 115.26 120.54 2jws n ASN 8 Ca -0.04 -1.67 -0.16 0.00 -0.02 0.00 0.00 54.58 52.69 2jws n ASN 8 Cb 0.64 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.83 2jws n ASN 8 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 2jws h LEU 9 N 1.90 0.32 -1.41 -4.53 8.10 -1.97 -2.60 115.31 115.11 2jws h LEU 9 Ca 0.00 -0.49 0.19 0.00 0.11 0.00 0.00 57.88 57.70 2jws h LEU 9 Cb 0.54 -0.10 -0.07 0.00 -0.44 0.00 0.00 40.66 40.58 2jws h LEU 9 CO 0.00 1.41 0.60 0.50 -4.11 0.00 0.00 178.44 176.84 2jws h LYS 10 N 0.06 0.48 0.03 0.17 3.64 -1.97 0.26 116.57 119.23 2jws h LYS 10 Ca -0.26 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 58.78 2jws h LYS 10 Cb 2.01 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.67 2jws h LYS 10 CO 0.14 0.32 -1.80 1.04 -2.27 0.00 0.00 179.45 176.88 2jws n GLN 11 N -4.55 0.66 -0.22 1.90 6.02 -1.25 -2.40 117.38 117.54 2jws n GLN 11 Ca 0.19 0.28 -0.01 0.00 -0.01 0.00 0.00 57.00 57.46 2jws n GLN 11 Cb 0.65 -1.77 0.21 0.00 1.02 0.00 0.00 30.24 30.35 2jws n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jws h ALA 12 N 0.77 1.38 0.14 -1.58 0.00 -0.68 0.12 119.26 119.41 2jws h ALA 12 Ca -0.33 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 2jws h ALA 12 Cb 2.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 2jws h ALA 12 CO 0.08 0.53 -1.66 1.57 0.00 0.00 0.00 179.25 179.77 2jws h LYS 13 N 1.02 0.30 -0.07 0.00 -0.00 -0.71 -2.59 116.57 114.52 2jws h LYS 13 Ca 0.27 -0.51 0.02 0.00 -0.00 0.00 0.00 60.65 60.43 2jws h LYS 13 Cb -0.03 0.19 -0.02 0.00 -0.00 0.00 0.00 32.23 32.37 2jws h LYS 13 CO -0.05 1.18 -0.05 0.93 -0.00 0.00 0.00 179.45 181.46 2jws h GLU 14 N 0.08 -0.05 -0.17 0.07 4.39 -1.20 0.98 114.58 118.68 2jws h GLU 14 Ca -0.30 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 2jws h GLU 14 Cb 2.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.70 2jws h GLU 14 CO 0.16 -0.03 -0.17 1.49 -1.16 0.00 0.00 179.01 179.29 2jws h GLU 15 N -0.05 0.28 -0.43 2.33 4.81 -0.91 -2.06 114.58 118.55 2jws h GLU 15 Ca 0.05 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2jws h GLU 15 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2jws h GLU 15 CO -0.11 0.45 -0.15 0.00 -0.73 0.00 0.00 179.01 178.48 2jws h ALA 16 N 1.57 0.94 -0.28 2.92 0.00 -0.68 -0.76 119.26 122.96 2jws h ALA 16 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2jws h ALA 16 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2jws h ALA 16 CO 0.03 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.81 2jws h ILE 17 N 0.71 0.91 -0.26 0.00 1.08 0.16 0.22 117.51 120.33 2jws h ILE 17 Ca 0.11 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 2jws h ILE 17 Cb 0.65 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 2jws h ILE 17 CO 0.05 0.04 -0.03 0.11 -0.69 0.00 0.00 178.15 177.63 2jws h LYS 18 N 0.21 0.39 0.23 2.37 1.57 -1.27 0.41 116.57 120.48 2jws h LYS 18 Ca 0.13 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2jws h LYS 18 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jws h LYS 18 CO -0.14 0.44 -0.11 0.93 -0.57 0.00 0.00 179.45 180.01 2jws h GLU 19 N 0.38 -0.30 -0.00 3.15 3.07 0.48 0.36 114.58 121.73 2jws h GLU 19 Ca 0.08 0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.77 2jws h GLU 19 Cb 0.30 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2jws h GLU 19 CO 0.01 -0.20 -0.85 1.25 -1.40 0.00 0.00 179.01 177.82 2jws h LEU 20 N -0.31 0.22 -1.47 1.33 5.85 -0.79 0.49 115.31 120.65 2jws h LEU 20 Ca -0.03 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2jws h LEU 20 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2jws h LEU 20 CO 0.05 0.97 -0.16 0.58 -0.34 0.00 0.00 178.44 179.54 2jws h VAL 21 N 0.10 1.17 0.10 1.05 2.07 -0.02 1.08 116.25 121.79 2jws h VAL 21 Ca -0.04 -0.76 -0.35 0.00 0.82 0.00 0.00 66.70 66.37 2jws h VAL 21 Cb 1.47 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2jws h VAL 21 CO 0.13 0.23 -1.95 0.47 0.02 0.00 0.00 177.57 176.47 2jws n ASP 22 N -4.28 1.91 0.13 0.57 9.92 0.10 -4.04 116.55 120.87 2jws n ASP 22 Ca -0.01 0.24 0.13 0.00 -0.53 0.00 0.00 54.79 54.62 2jws n ASP 22 Cb 0.27 -0.73 0.39 0.00 -0.64 0.00 0.00 41.12 40.41 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jws h ALA 23 N 0.23 1.00 -6.33 2.24 0.00 -0.72 -3.49 119.26 112.19 2jws h ALA 23 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jws h ALA 23 Cb 2.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2jws h ALA 23 CO 0.09 0.00 -1.00 0.41 0.00 0.00 0.00 179.25 178.75 2jws n GLY 24 N 1.12 -0.13 3.65 0.00 0.00 0.37 -5.02 105.19 105.18 2jws n GLY 24 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2jws n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jws s ILE 25 N -1.01 0.00 -0.00 -0.61 -5.25 -1.25 -5.08 121.20 107.99 2jws s ILE 25 Ca -0.00 0.00 -0.00 0.00 -0.99 0.00 0.00 60.65 59.66 2jws s ILE 25 Cb 0.00 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.41 2jws s ILE 25 CO 0.02 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.17 2jws n ALA 26 N 2.31 -1.91 0.24 2.27 0.00 -1.26 -4.81 120.51 117.35 2jws n ALA 26 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.38 2jws n ALA 26 Cb 0.57 -0.46 0.57 0.00 0.00 0.00 0.00 19.45 20.12 2jws n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jws h GLU 27 N 3.34 0.00 -0.84 0.00 4.57 -1.98 -2.51 114.58 117.16 2jws h GLU 27 Ca -0.00 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.39 2jws h GLU 27 Cb 0.91 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.36 2jws h GLU 27 CO 0.00 0.13 0.19 -0.22 -1.18 0.00 0.00 179.01 177.93 2jws h LYS 28 N 0.00 0.19 -0.12 1.92 1.63 -2.01 1.03 116.57 119.21 2jws h LYS 28 Ca -0.00 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2jws h LYS 28 Cb 0.24 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2jws h LYS 28 CO 0.02 0.13 -0.13 1.88 -3.45 0.00 0.00 179.45 177.90 2jws h TYR 29 N 0.20 0.20 0.00 1.91 -1.99 -1.76 -0.25 116.97 115.27 2jws h TYR 29 Ca 0.51 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.22 2jws h TYR 29 Cb 0.99 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 2jws h TYR 29 CO -0.29 0.32 -0.03 0.97 -0.00 0.00 0.00 178.16 179.13 2jws h ILE 30 N 0.18 0.64 0.10 -2.88 2.10 0.10 -1.63 117.51 116.12 2jws h ILE 30 Ca 0.04 -0.12 -0.28 0.00 1.08 0.00 0.00 64.86 65.58 2jws h ILE 30 Cb 0.35 1.07 0.02 0.00 -1.09 0.00 0.00 36.82 37.17 2jws h ILE 30 CO 0.02 0.03 -1.17 0.50 -1.08 0.00 0.00 178.15 176.45 2jws h LYS 31 N 0.00 0.48 -0.20 2.19 3.64 -0.62 0.47 116.57 122.52 2jws h LYS 31 Ca -0.00 -0.64 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 2jws h LYS 31 Cb 0.07 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2jws h LYS 31 CO 0.00 1.27 0.10 -0.07 -2.27 0.00 0.00 179.45 178.48 2jws h LEU 32 N 0.21 0.24 0.05 5.20 3.38 -1.11 0.29 115.31 123.56 2jws h LEU 32 Ca -0.15 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 2jws h LEU 32 Cb 1.85 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2jws h LEU 32 CO 0.21 0.21 -1.74 2.30 0.09 0.00 0.00 178.44 179.51 2jws n ILE 33 N -4.47 1.62 0.26 1.22 -5.35 -1.09 -3.39 119.36 108.17 2jws n ILE 33 Ca -0.00 -0.32 0.09 0.00 -0.27 0.00 0.00 62.75 62.25 2jws n ILE 33 Cb 0.10 -1.88 0.68 0.00 -1.74 0.00 0.00 39.64 36.81 2jws n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws h ALA 34 N -0.31 1.88 0.00 -1.28 0.00 0.06 -0.47 119.26 119.14 2jws h ALA 34 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jws h ALA 34 Cb 1.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2jws h ALA 34 CO -0.12 0.02 -0.51 -0.97 0.00 0.00 0.00 179.25 177.67 2jws h ASN 35 N 0.00 0.00 0.00 0.00 -0.73 -0.59 -3.50 115.58 110.76 2jws h ASN 35 Ca -0.00 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.03 2jws h ASN 35 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2jws h ASN 35 CO 0.00 0.07 0.00 0.00 -0.37 0.00 0.00 177.43 177.13 2jws n ALA 36 N -1.88 0.00 0.00 1.57 0.00 -0.19 -4.89 120.51 115.12 2jws n ALA 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jws n ALA 36 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2jws n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jws n LYS 37 N 14.00 0.00 -3.33 0.00 3.00 -1.26 -4.83 118.16 125.74 2jws n LYS 37 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2jws n LYS 37 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 35.03 34.86 2jws n LYS 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2jws s THR 38 N -2.31 0.09 0.29 3.15 2.01 -1.26 -5.01 115.64 112.61 2jws s THR 38 Ca 0.00 -2.17 -0.02 0.00 0.31 0.00 0.00 61.69 59.80 2jws s THR 38 Cb 0.00 -1.04 0.40 0.00 0.01 0.00 0.00 72.50 71.88 2jws s THR 38 CO 0.00 -1.00 1.58 1.62 -0.69 0.00 0.00 174.62 176.12 2jws h VAL 39 N 4.77 0.07 -0.60 3.82 3.04 -1.96 1.05 116.25 126.44 2jws h VAL 39 Ca 0.19 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.88 2jws h VAL 39 Cb 0.95 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.25 2jws h VAL 39 CO 0.30 0.00 0.38 -0.33 -1.01 0.00 0.00 177.57 176.91 2jws h GLU 40 N 0.02 0.80 -0.14 4.17 5.08 -1.96 -2.63 114.58 119.92 2jws h GLU 40 Ca 0.54 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.80 2jws h GLU 40 Cb 1.01 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jws h GLU 40 CO -0.91 0.55 -0.05 0.78 -1.00 0.00 0.00 179.01 178.38 2jws h GLY 41 N 0.81 0.31 -0.63 -3.84 0.00 0.29 -1.87 103.07 98.14 2jws h GLY 41 Ca 0.22 -0.27 0.32 0.00 0.00 0.00 0.00 47.33 47.60 2jws h GLY 41 CO -0.04 0.24 0.45 -2.08 0.00 0.00 0.00 176.54 175.10 2jws h VAL 42 N -0.04 0.23 0.02 4.60 2.07 0.90 1.87 116.25 125.89 2jws h VAL 42 Ca 0.03 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 2jws h VAL 42 Cb 0.50 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2jws h VAL 42 CO 0.02 0.04 -0.97 -0.25 0.02 0.00 0.00 177.57 176.43 2jws h TRP 43 N 0.22 0.09 0.10 1.57 7.01 -1.36 -2.81 115.95 120.77 2jws h TRP 43 Ca 0.70 -0.06 -0.16 0.00 2.11 0.00 0.00 58.89 61.48 2jws h TRP 43 Cb 1.62 -0.01 0.02 0.00 -2.10 0.00 0.00 29.16 28.69 2jws h TRP 43 CO -0.10 0.98 -0.69 1.15 -2.79 0.00 0.00 178.44 176.98 2jws h THR 44 N 0.02 1.51 -0.37 2.65 2.02 0.19 -2.59 112.91 116.35 2jws h THR 44 Ca -0.03 -2.40 -0.02 0.00 0.77 0.00 0.00 66.41 64.73 2jws h THR 44 Cb 1.68 3.06 -0.02 0.00 -1.74 0.00 0.00 68.15 71.13 2jws h THR 44 CO 0.13 0.68 0.14 -0.07 0.37 0.00 0.00 175.52 176.77 2jws h LEU 45 N -0.35 0.47 0.55 2.58 3.38 0.23 0.28 115.31 122.44 2jws h LEU 45 Ca -0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2jws h LEU 45 Cb 1.50 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 42.14 2jws h LEU 45 CO 0.13 0.44 -0.26 0.50 0.09 0.00 0.00 178.44 179.33 2jws h LYS 46 N 0.52 -0.71 -0.23 1.13 3.64 -1.56 0.87 116.57 120.23 2jws h LYS 46 Ca 0.13 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2jws h LYS 46 Cb 0.12 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2jws h LYS 46 CO -0.01 -0.47 0.16 0.22 -2.27 0.00 0.00 179.45 177.08 2jws h ASP 47 N -1.13 0.05 0.05 4.20 3.58 -1.36 -0.51 116.42 121.31 2jws h ASP 47 Ca -0.08 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2jws h ASP 47 Cb 0.57 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2jws h ASP 47 CO 0.12 0.04 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.42 2jws h GLU 48 N 0.06 -0.06 -0.09 0.28 4.22 -0.41 -2.65 114.58 115.93 2jws h GLU 48 Ca 0.11 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.58 2jws h GLU 48 Cb 0.35 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2jws h GLU 48 CO -0.01 0.49 0.14 0.97 -2.18 0.00 0.00 179.01 178.42 2jws h ILE 49 N -0.95 0.36 0.15 2.32 6.09 0.11 0.79 117.51 126.39 2jws h ILE 49 Ca -0.01 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.20 2jws h ILE 49 Cb 0.58 0.88 0.01 0.00 0.47 0.00 0.00 36.82 38.76 2jws h ILE 49 CO 0.01 0.00 -1.30 0.25 -3.07 0.00 0.00 178.15 174.04 2jws h LEU 50 N 0.00 0.50 -1.22 2.19 5.85 -1.16 -3.21 115.31 118.27 2jws h LEU 50 Ca 0.04 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2jws h LEU 50 Cb 0.32 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2jws h LEU 50 CO -0.00 1.42 0.00 0.74 -0.34 0.00 0.00 178.44 180.26 2jws h THR 51 N 0.09 0.00 -0.51 1.05 2.02 -0.47 -2.70 112.91 112.39 2jws h THR 51 Ca -0.16 -0.19 -0.21 0.00 0.77 0.00 0.00 66.41 66.62 2jws h THR 51 Cb 2.01 0.90 -0.13 0.00 -1.74 0.00 0.00 68.15 69.20 2jws h THR 51 CO 0.21 0.00 0.27 2.22 0.37 0.00 0.00 175.52 178.60 2jws n PHE 52 N -2.44 1.62 -2.66 3.16 -1.74 -0.99 -4.32 117.46 110.09 2jws n PHE 52 Ca 0.00 -1.03 -0.05 0.00 -0.56 0.00 0.00 57.45 55.81 2jws n PHE 52 Cb 0.17 -0.57 0.07 0.00 1.52 0.00 0.00 39.48 40.68 2jws n PHE 52 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2jws n THR 53 N -0.22 0.00 -3.96 1.97 -1.04 -1.02 -5.10 114.28 104.91 2jws n THR 53 Ca 0.29 -0.62 -0.24 0.00 -2.04 0.00 0.00 64.05 61.44 2jws n THR 53 Cb 1.07 1.05 -0.17 0.00 -1.82 0.00 0.00 70.33 70.46 2jws n THR 53 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jws s VAL 54 N 0.14 0.75 -0.26 12.58 1.01 -1.26 -4.99 120.40 128.38 2jws s VAL 54 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jws s VAL 54 Cb 0.20 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.85 2jws s VAL 54 CO -0.08 0.31 0.01 -0.89 0.00 0.00 0.00 175.10 174.45 2jws s THR 55 N 1.58 1.36 0.00 3.92 2.01 -1.26 -5.14 115.64 118.11 2jws s THR 55 Ca 0.01 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.68 2jws s THR 55 Cb -0.13 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.59 2jws s THR 55 CO -0.05 -0.31 0.00 -0.62 -0.69 0.00 0.00 174.62 172.95