#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 -1.39 12.58 -2.24 -1.26 -5.01 114.28 116.96 2jws n THR 2 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2jws n THR 2 Cb 0.00 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 2jws n THR 2 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2jws n TYR 3 N -2.64 0.00 -2.99 4.78 4.01 -1.26 -4.86 117.16 114.20 2jws n TYR 3 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2jws n TYR 3 Cb 0.43 -2.82 0.00 0.00 -0.31 0.00 0.00 39.34 36.64 2jws n TYR 3 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2jws s LYS 4 N -3.10 0.32 0.08 -0.72 2.20 -1.26 -5.07 119.74 112.19 2jws s LYS 4 Ca 0.00 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 2jws s LYS 4 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2jws s LYS 4 CO 0.00 -0.50 0.00 1.28 -0.36 0.00 0.00 175.35 175.77 2jws n LEU 5 N 4.39 0.15 -3.63 5.43 4.77 -1.26 -5.17 117.00 121.69 2jws n LEU 5 Ca 0.08 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 2jws n LEU 5 Cb 0.60 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2jws n LEU 5 CO -0.10 -0.61 1.13 -0.51 -1.33 0.00 0.00 177.39 175.97 2jws s ILE 6 N -1.38 0.00 0.00 -0.08 2.07 -1.26 -5.13 121.20 115.43 2jws s ILE 6 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2jws s ILE 6 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2jws s ILE 6 CO 0.00 0.00 0.00 0.18 -1.91 0.00 0.00 174.94 173.21 2jws n LEU 7 N 0.05 0.28 -2.65 8.50 4.77 -1.26 -5.05 117.00 121.64 2jws n LEU 7 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 2jws n LEU 7 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2jws n LEU 7 CO 0.08 0.00 0.66 -3.20 -1.33 0.00 0.00 177.39 173.60 2jws n ASN 8 N -0.97 -1.03 0.09 -1.43 5.15 -1.26 -5.01 115.26 110.80 2jws n ASN 8 Ca 0.00 -1.53 -0.07 0.00 -0.60 0.00 0.00 54.58 52.39 2jws n ASN 8 Cb 0.00 1.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.31 2jws n ASN 8 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 2jws h LEU 9 N 1.13 0.23 -1.17 1.20 8.10 -1.97 -2.57 115.31 120.26 2jws h LEU 9 Ca -0.60 -0.16 0.20 0.00 0.11 0.00 0.00 57.88 57.42 2jws h LEU 9 Cb 1.23 -0.07 -0.09 0.00 -0.44 0.00 0.00 40.66 41.29 2jws h LEU 9 CO -0.21 0.90 0.61 0.50 -4.11 0.00 0.00 178.44 176.13 2jws h LYS 10 N 0.13 0.63 0.00 0.17 3.11 -1.96 0.20 116.57 118.84 2jws h LYS 10 Ca -0.02 -0.04 -0.25 0.00 -2.81 0.00 0.00 60.65 57.52 2jws h LYS 10 Cb 1.32 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 32.36 2jws h LYS 10 CO 0.11 0.42 -1.52 0.37 -2.81 0.00 0.00 179.45 176.02 2jws h GLN 11 N 0.65 0.00 -0.55 1.90 5.75 -1.98 -2.64 115.11 118.25 2jws h GLN 11 Ca 0.55 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 59.00 2jws h GLN 11 Cb 1.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 2jws h GLN 11 CO -0.31 0.53 0.14 0.00 -2.65 0.00 0.00 178.83 176.53 2jws h ALA 12 N 1.09 1.22 0.15 3.38 0.00 -0.58 -0.81 119.26 123.71 2jws h ALA 12 Ca -0.22 -0.20 -0.33 0.00 0.00 0.00 0.00 54.91 54.16 2jws h ALA 12 Cb 1.89 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2jws h ALA 12 CO 0.08 0.54 -1.67 1.57 0.00 0.00 0.00 179.25 179.78 2jws h LYS 13 N 0.81 0.32 -0.43 0.00 -0.00 -0.83 -2.61 116.57 113.82 2jws h LYS 13 Ca 0.18 -0.54 0.04 0.00 -0.00 0.00 0.00 60.65 60.33 2jws h LYS 13 Cb 0.29 0.20 -0.04 0.00 -0.00 0.00 0.00 32.23 32.67 2jws h LYS 13 CO -0.00 1.20 0.19 1.05 -0.00 0.00 0.00 179.45 181.89 2jws h GLU 14 N 0.09 0.37 -0.36 0.07 -0.00 -1.32 1.12 114.58 114.54 2jws h GLU 14 Ca -0.30 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.36 58.95 2jws h GLU 14 Cb 2.06 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 30.71 2jws h GLU 14 CO 0.17 0.24 -0.14 1.49 -0.00 0.00 0.00 179.01 180.77 2jws h GLU 15 N 0.38 0.65 -0.72 1.06 4.57 -1.27 -2.43 114.58 116.81 2jws h GLU 15 Ca 0.19 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2jws h GLU 15 Cb 0.14 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 2jws h GLU 15 CO -0.17 0.77 0.20 0.00 -1.18 0.00 0.00 179.01 178.64 2jws h ALA 16 N 1.25 0.99 -0.50 2.92 0.00 -0.58 -1.47 119.26 121.87 2jws h ALA 16 Ca 0.10 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2jws h ALA 16 Cb 0.58 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2jws h ALA 16 CO 0.04 0.66 0.15 0.82 0.00 0.00 0.00 179.25 180.92 2jws h ILE 17 N 1.09 0.78 -0.28 0.00 1.08 0.17 0.33 117.51 120.66 2jws h ILE 17 Ca 0.23 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2jws h ILE 17 Cb 0.34 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2jws h ILE 17 CO -0.00 0.06 0.08 0.11 -0.69 0.00 0.00 178.15 177.70 2jws h LYS 18 N 0.30 0.40 0.23 2.37 1.79 -1.22 0.86 116.57 121.31 2jws h LYS 18 Ca 0.25 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 2jws h LYS 18 Cb 0.30 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2jws h LYS 18 CO -0.28 0.37 -0.11 0.93 -1.08 0.00 0.00 179.45 179.27 2jws h GLU 19 N 0.40 -0.30 0.03 3.15 3.07 0.61 -0.08 114.58 121.45 2jws h GLU 19 Ca 0.10 0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 2jws h GLU 19 Cb 0.14 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2jws h GLU 19 CO -0.01 -0.12 -0.98 1.25 -1.40 0.00 0.00 179.01 177.75 2jws h LEU 20 N -0.41 0.40 -1.58 1.33 5.85 -0.66 0.08 115.31 120.31 2jws h LEU 20 Ca -0.03 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2jws h LEU 20 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jws h LEU 20 CO 0.05 1.17 -0.09 0.58 -0.34 0.00 0.00 178.44 179.81 2jws h VAL 21 N 0.15 1.13 0.07 1.05 2.07 0.80 0.82 116.25 122.33 2jws h VAL 21 Ca -0.08 -0.56 -0.33 0.00 0.82 0.00 0.00 66.70 66.55 2jws h VAL 21 Cb 1.63 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2jws h VAL 21 CO 0.16 0.17 -1.87 -0.67 0.02 0.00 0.00 177.57 175.39 2jws n ASP 22 N -4.35 1.55 0.12 0.57 2.03 -0.05 -3.99 116.55 112.43 2jws n ASP 22 Ca -0.01 0.30 0.13 0.00 0.52 0.00 0.00 54.79 55.73 2jws n ASP 22 Cb 0.22 -0.49 0.40 0.00 -0.72 0.00 0.00 41.12 40.52 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jws h ALA 23 N 0.50 1.00 -4.88 -1.67 0.00 -0.66 -3.49 119.26 110.06 2jws h ALA 23 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jws h ALA 23 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2jws h ALA 23 CO 0.08 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.47 2jws n GLY 24 N 1.16 -1.24 0.34 0.00 0.00 0.28 -5.03 105.19 100.71 2jws n GLY 24 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2jws n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jws n ILE 25 N 2.13 0.00 -1.19 -0.61 -6.64 -1.26 -5.08 119.36 106.71 2jws n ILE 25 Ca -0.04 -0.02 -0.25 0.00 -1.77 0.00 0.00 62.75 60.68 2jws n ILE 25 Cb 0.06 0.05 -0.15 0.00 -1.44 0.00 0.00 39.64 38.16 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jws n ALA 26 N -2.82 0.57 0.15 -1.28 0.00 -1.26 -4.69 120.51 111.18 2jws n ALA 26 Ca -0.01 -0.44 0.19 0.00 0.00 0.00 0.00 53.44 53.18 2jws n ALA 26 Cb 0.05 -1.86 0.79 0.00 0.00 0.00 0.00 19.45 18.43 2jws n ALA 26 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jws h GLU 27 N 9.14 0.00 -0.88 0.00 4.11 -1.98 -2.17 114.58 122.80 2jws h GLU 27 Ca -0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.64 2jws h GLU 27 Cb 0.97 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.06 2jws h GLU 27 CO 1.20 0.00 -0.03 -0.22 0.07 0.00 0.00 179.01 180.03 2jws h LYS 28 N 0.00 0.05 -0.22 1.06 1.63 -2.01 1.38 116.57 118.46 2jws h LYS 28 Ca 0.14 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2jws h LYS 28 Cb 0.81 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2jws h LYS 28 CO -0.00 0.03 -0.02 1.88 -3.45 0.00 0.00 179.45 177.89 2jws h TYR 29 N 0.05 0.34 -0.02 1.91 -1.99 -1.76 0.12 116.97 115.62 2jws h TYR 29 Ca 0.49 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.20 2jws h TYR 29 Cb 0.91 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.54 2jws h TYR 29 CO -0.51 0.37 0.02 0.97 -0.00 0.00 0.00 178.16 179.00 2jws h ILE 30 N 0.32 0.62 0.04 -2.88 2.10 0.17 -0.86 117.51 117.03 2jws h ILE 30 Ca 0.07 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.76 2jws h ILE 30 Cb 0.26 0.99 0.01 0.00 -1.09 0.00 0.00 36.82 36.98 2jws h ILE 30 CO 0.01 0.00 -1.06 0.50 -1.08 0.00 0.00 178.15 176.52 2jws h LYS 31 N 0.00 0.48 -0.47 2.19 1.63 -0.42 0.73 116.57 120.70 2jws h LYS 31 Ca 0.01 -0.57 0.03 0.00 -0.85 0.00 0.00 60.65 59.27 2jws h LYS 31 Cb 0.05 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2jws h LYS 31 CO -0.00 1.21 0.31 -0.07 -3.45 0.00 0.00 179.45 177.45 2jws h LEU 32 N 0.24 0.45 0.04 5.20 3.38 -0.99 0.34 115.31 123.99 2jws h LEU 32 Ca -0.12 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.53 2jws h LEU 32 Cb 1.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 2jws h LEU 32 CO 0.19 0.31 -1.73 2.30 0.09 0.00 0.00 178.44 179.60 2jws n ILE 33 N -4.47 1.62 0.18 1.22 -5.35 -1.09 -3.26 119.36 108.21 2jws n ILE 33 Ca 0.05 -0.32 0.14 0.00 -0.27 0.00 0.00 62.75 62.35 2jws n ILE 33 Cb 0.15 -1.88 0.71 0.00 -1.74 0.00 0.00 39.64 36.87 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 -0.32 2.07 0.00 -1.28 0.00 0.63 0.12 119.26 120.49 2jws h ALA 34 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jws h ALA 34 Cb 1.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2jws h ALA 34 CO -0.12 -0.23 -0.64 -0.97 0.00 0.00 0.00 179.25 177.28 2jws h ASN 35 N 0.00 0.00 0.00 0.00 -0.00 -0.47 -3.50 115.58 111.61 2jws h ASN 35 Ca 0.09 -0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.22 2jws h ASN 35 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.68 2jws h ASN 35 CO -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 177.43 177.51 2jws n ALA 36 N -1.90 0.00 0.00 1.57 0.00 0.43 -4.89 120.51 115.71 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 13.97 0.00 -3.33 0.00 3.00 -1.26 -4.80 118.16 125.74 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 -0.13 -0.09 0.00 0.00 0.00 0.00 35.03 34.81 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 -2.18 0.13 0.29 3.15 2.01 -1.26 -5.01 115.64 112.77 2jws s THR 38 Ca 0.00 -2.29 -0.02 0.00 0.31 0.00 0.00 61.69 59.69 2jws s THR 38 Cb 0.00 -1.07 0.38 0.00 0.01 0.00 0.00 72.50 71.82 2jws s THR 38 CO 0.00 -1.05 1.59 1.62 -0.69 0.00 0.00 174.62 176.09 2jws h VAL 39 N 4.73 0.10 -0.75 3.82 3.04 -1.96 1.09 116.25 126.33 2jws h VAL 39 Ca 0.21 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 2jws h VAL 39 Cb 0.95 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 2jws h VAL 39 CO 0.31 0.01 0.48 -0.33 -1.01 0.00 0.00 177.57 177.03 2jws h GLU 40 N 0.04 1.00 -0.09 4.17 5.08 -1.99 -2.65 114.58 120.13 2jws h GLU 40 Ca 0.53 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.78 2jws h GLU 40 Cb 1.02 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2jws h GLU 40 CO -0.87 0.68 -0.10 0.78 -1.00 0.00 0.00 179.01 178.50 2jws h GLY 41 N 1.02 0.25 -0.68 -3.84 0.00 0.37 -2.14 103.07 98.05 2jws h GLY 41 Ca 0.27 -0.26 0.32 0.00 0.00 0.00 0.00 47.33 47.67 2jws h GLY 41 CO -0.06 0.23 0.41 -2.08 0.00 0.00 0.00 176.54 175.04 2jws h VAL 42 N -0.19 0.19 0.02 4.60 2.07 0.92 2.54 116.25 126.40 2jws h VAL 42 Ca 0.01 -0.06 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 2jws h VAL 42 Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2jws h VAL 42 CO 0.02 0.03 -0.94 -0.25 0.02 0.00 0.00 177.57 176.45 2jws h TRP 43 N 0.17 0.28 0.00 1.57 2.91 -1.42 -2.81 115.95 116.65 2jws h TRP 43 Ca 0.70 -0.16 -0.01 0.00 1.13 0.00 0.00 58.89 60.55 2jws h TRP 43 Cb 1.62 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.25 2jws h TRP 43 CO -0.14 1.02 -0.06 1.15 -1.03 0.00 0.00 178.44 179.38 2jws h THR 44 N 0.09 1.38 -0.79 2.65 2.02 0.18 -2.67 112.91 115.77 2jws h THR 44 Ca -0.05 -2.05 0.17 0.00 0.77 0.00 0.00 66.41 65.24 2jws h THR 44 Cb 1.61 2.62 -0.05 0.00 -1.74 0.00 0.00 68.15 70.59 2jws h THR 44 CO 0.14 0.47 0.53 -0.07 0.37 0.00 0.00 175.52 176.96 2jws h LEU 45 N -1.00 0.37 0.52 2.58 4.07 0.37 0.85 115.31 123.07 2jws h LEU 45 Ca -0.01 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2jws h LEU 45 Cb 0.80 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.50 2jws h LEU 45 CO -0.01 0.18 -0.25 0.50 -1.08 0.00 0.00 178.44 177.78 2jws h LYS 46 N 0.39 -0.67 -0.29 1.13 3.64 -1.59 0.77 116.57 119.96 2jws h LYS 46 Ca 0.39 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 2jws h LYS 46 Cb 0.96 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2jws h LYS 46 CO -0.13 -0.45 0.20 -0.44 -2.27 0.00 0.00 179.45 176.37 2jws h ASP 47 N -1.12 0.09 0.04 4.20 3.32 -1.02 -1.17 116.42 120.76 2jws h ASP 47 Ca -0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2jws h ASP 47 Cb 0.53 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2jws h ASP 47 CO 0.12 0.06 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.59 2jws h GLU 48 N 0.10 -0.05 -0.12 3.56 4.22 0.75 -2.70 114.58 120.34 2jws h GLU 48 Ca 0.13 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.61 2jws h GLU 48 Cb 0.40 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jws h GLU 48 CO -0.01 0.58 0.17 0.97 -2.18 0.00 0.00 179.01 178.54 2jws h ILE 49 N -0.91 0.35 0.13 2.32 6.09 0.95 0.20 117.51 126.65 2jws h ILE 49 Ca -0.01 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2jws h ILE 49 Cb 0.66 0.86 0.01 0.00 0.47 0.00 0.00 36.82 38.81 2jws h ILE 49 CO 0.01 0.00 -1.26 0.25 -3.07 0.00 0.00 178.15 174.08 2jws h LEU 50 N 0.00 0.44 -2.14 2.19 5.85 -1.27 -3.20 115.31 117.19 2jws h LEU 50 Ca 0.06 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2jws h LEU 50 Cb 0.39 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2jws h LEU 50 CO -0.00 1.37 0.16 0.74 -0.34 0.00 0.00 178.44 180.37 2jws h THR 51 N 0.08 0.69 -0.27 1.05 2.02 -0.26 0.26 112.91 116.47 2jws h THR 51 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2jws h THR 51 Cb 1.98 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2jws h THR 51 CO 0.21 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.32 2jws n PHE 52 N -4.16 0.54 -2.83 3.16 -1.74 -1.06 -4.11 117.46 107.27 2jws n PHE 52 Ca 0.01 -0.23 -0.11 0.00 -0.56 0.00 0.00 57.45 56.57 2jws n PHE 52 Cb 0.29 -0.09 0.05 0.00 1.52 0.00 0.00 39.48 41.25 2jws n PHE 52 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2jws n THR 53 N 0.32 0.19 0.00 1.97 5.66 0.91 -5.01 114.28 118.33 2jws n THR 53 Ca 0.10 -2.69 0.00 0.00 -3.05 0.00 0.00 64.05 58.41 2jws n THR 53 Cb 0.38 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 2jws n THR 53 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2jws n VAL 54 N 0.02 0.00 -2.42 1.08 0.31 -1.22 -4.97 118.33 111.13 2jws n VAL 54 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 2jws n VAL 54 Cb 0.75 -0.31 -0.02 0.00 -0.91 0.00 0.00 33.84 33.35 2jws n VAL 54 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jws s THR 55 N -0.02 4.11 0.00 2.52 2.01 -1.26 -5.18 115.64 117.81 2jws s THR 55 Ca 0.00 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.24 2jws s THR 55 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2jws s THR 55 CO 0.00 -0.53 0.40 -0.62 -0.69 0.00 0.00 174.62 173.17