#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws s THR 2 N 0.00 1.31 -0.37 12.58 -4.23 -1.26 -5.04 115.64 118.64 2jws s THR 2 Ca 0.00 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 2jws s THR 2 Cb 0.00 -1.77 0.65 0.00 1.34 0.00 0.00 72.50 72.72 2jws s THR 2 CO 0.00 -0.61 1.67 0.00 -0.54 0.00 0.00 174.62 175.14 2jws n TYR 3 N 0.02 2.18 -3.16 3.99 0.18 -1.26 -4.64 117.16 114.47 2jws n TYR 3 Ca -0.12 -1.09 -0.08 0.00 1.88 0.00 0.00 57.90 58.49 2jws n TYR 3 Cb 0.59 -0.64 -0.03 0.00 -0.38 0.00 0.00 39.34 38.88 2jws n TYR 3 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2jws s LYS 4 N -2.66 0.84 0.00 -3.48 2.36 -1.26 -4.98 119.74 110.56 2jws s LYS 4 Ca 0.48 -0.81 0.00 0.00 -2.55 0.00 0.00 55.97 53.09 2jws s LYS 4 Cb 0.38 -0.32 0.00 0.00 -1.05 0.00 0.00 37.83 36.84 2jws s LYS 4 CO 0.12 -1.25 0.00 1.28 1.55 0.00 0.00 175.35 177.05 2jws n LEU 5 N 3.86 1.48 0.00 5.43 7.99 -1.26 -5.04 117.00 129.46 2jws n LEU 5 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 2jws n LEU 5 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2jws n LEU 5 CO 0.03 0.25 0.00 0.00 -1.51 0.00 0.00 177.39 176.16 2jws n ILE 6 N -1.97 0.00 0.00 -0.08 0.13 -1.26 -4.92 119.36 111.26 2jws n ILE 6 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2jws n ILE 6 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.10 2jws n ILE 6 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2jws n LEU 7 N 0.00 0.00 -0.95 9.51 4.77 -1.26 -4.70 117.00 124.37 2jws n LEU 7 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2jws n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jws n LEU 7 CO 0.00 0.00 -0.04 0.59 -1.33 0.00 0.00 177.39 176.61 2jws n ASN 8 N 2.49 -2.79 -0.03 -1.43 3.02 -1.26 -4.92 115.26 110.34 2jws n ASN 8 Ca 0.00 -0.05 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 2jws n ASN 8 Cb 0.00 -1.93 -0.08 0.00 -0.61 0.00 0.00 39.78 37.16 2jws n ASN 8 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jws h LEU 9 N -0.22 0.68 -1.28 3.41 7.12 -1.88 -1.65 115.31 121.49 2jws h LEU 9 Ca -0.17 -0.64 0.19 0.00 0.13 0.00 0.00 57.88 57.39 2jws h LEU 9 Cb 1.12 -0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 40.96 2jws h LEU 9 CO 0.19 1.21 0.61 0.50 -0.13 0.00 0.00 178.44 180.82 2jws h LYS 10 N 0.20 0.58 0.00 1.25 3.64 -1.97 0.43 116.57 120.70 2jws h LYS 10 Ca -0.04 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 2jws h LYS 10 Cb 1.20 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2jws h LYS 10 CO 0.12 0.38 -1.57 0.37 -2.27 0.00 0.00 179.45 176.48 2jws h GLN 11 N 0.59 0.01 -0.57 1.90 4.15 -1.97 -2.62 115.11 116.60 2jws h GLN 11 Ca 0.51 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.87 2jws h GLN 11 Cb 1.01 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 2jws h GLN 11 CO -0.26 0.62 0.18 0.00 -1.93 0.00 0.00 178.83 177.44 2jws h ALA 12 N 0.97 1.25 0.15 3.38 0.00 -0.12 -1.15 119.26 123.73 2jws h ALA 12 Ca -0.23 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.17 2jws h ALA 12 Cb 1.97 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2jws h ALA 12 CO 0.09 0.54 -1.66 1.57 0.00 0.00 0.00 179.25 179.79 2jws h LYS 13 N 0.83 0.31 -0.53 0.00 -0.00 -1.11 -2.60 116.57 113.48 2jws h LYS 13 Ca 0.19 -0.53 0.06 0.00 -0.00 0.00 0.00 60.65 60.36 2jws h LYS 13 Cb 0.23 0.20 -0.05 0.00 -0.00 0.00 0.00 32.23 32.61 2jws h LYS 13 CO -0.01 1.20 0.25 1.05 -0.00 0.00 0.00 179.45 181.93 2jws h GLU 14 N 0.09 0.46 -0.17 0.07 -0.00 -1.31 1.08 114.58 114.79 2jws h GLU 14 Ca -0.30 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 58.93 2jws h GLU 14 Cb 2.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 30.69 2jws h GLU 14 CO 0.17 0.31 -0.35 1.49 -0.00 0.00 0.00 179.01 180.62 2jws h GLU 15 N 0.48 0.36 -0.45 1.06 4.57 -1.33 -2.55 114.58 116.71 2jws h GLU 15 Ca 0.24 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 2jws h GLU 15 Cb 0.19 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2jws h GLU 15 CO -0.19 0.66 -0.10 0.00 -1.18 0.00 0.00 179.01 178.21 2jws h ALA 16 N 1.33 0.99 -0.20 2.92 0.00 -0.40 -0.93 119.26 122.97 2jws h ALA 16 Ca 0.04 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2jws h ALA 16 Cb 0.76 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jws h ALA 16 CO 0.06 0.60 0.09 0.82 0.00 0.00 0.00 179.25 180.82 2jws h ILE 17 N 0.73 0.98 -0.26 0.00 1.08 0.15 -0.23 117.51 119.95 2jws h ILE 17 Ca 0.12 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2jws h ILE 17 Cb 0.58 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2jws h ILE 17 CO 0.04 0.04 0.08 0.11 -0.69 0.00 0.00 178.15 177.72 2jws h LYS 18 N 0.20 0.36 0.23 2.37 1.79 -1.27 0.41 116.57 120.65 2jws h LYS 18 Ca 0.09 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2jws h LYS 18 Cb 0.03 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2jws h LYS 18 CO -0.07 0.32 -0.11 0.93 -1.08 0.00 0.00 179.45 179.45 2jws h GLU 19 N 0.36 -0.29 0.01 3.15 3.07 0.31 -0.08 114.58 121.11 2jws h GLU 19 Ca 0.09 0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 2jws h GLU 19 Cb 0.11 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2jws h GLU 19 CO -0.01 -0.14 -0.95 1.25 -1.40 0.00 0.00 179.01 177.77 2jws h LEU 20 N -0.38 0.45 -1.56 1.33 5.85 -0.81 0.13 115.31 120.32 2jws h LEU 20 Ca -0.03 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 2jws h LEU 20 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jws h LEU 20 CO 0.05 1.18 -0.12 0.58 -0.34 0.00 0.00 178.44 179.79 2jws h VAL 21 N 0.19 1.14 0.05 1.05 2.07 -0.15 0.91 116.25 121.51 2jws h VAL 21 Ca -0.07 -0.62 -0.33 0.00 0.82 0.00 0.00 66.70 66.50 2jws h VAL 21 Cb 1.59 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 2jws h VAL 21 CO 0.16 0.19 -1.91 0.47 0.02 0.00 0.00 177.57 176.49 2jws n ASP 22 N -4.33 1.35 0.11 0.57 8.00 -0.05 -4.02 116.55 118.18 2jws n ASP 22 Ca -0.01 0.28 0.13 0.00 0.71 0.00 0.00 54.79 55.89 2jws n ASP 22 Cb 0.23 -0.31 0.39 0.00 -0.02 0.00 0.00 41.12 41.41 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jws h ALA 23 N 0.59 1.00 -5.40 2.24 0.00 -0.44 -3.49 119.26 113.75 2jws h ALA 23 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jws h ALA 23 Cb 2.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 2jws h ALA 23 CO 0.07 0.00 -0.48 0.41 0.00 0.00 0.00 179.25 179.26 2jws n GLY 24 N 1.29 -1.76 1.35 0.00 0.00 0.31 -5.01 105.19 101.37 2jws n GLY 24 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 2.20 0.00 -1.26 -0.61 -5.35 -1.25 -5.07 119.36 108.01 2jws n ILE 25 Ca -0.11 -0.12 -0.27 0.00 -0.27 0.00 0.00 62.75 61.99 2jws n ILE 25 Cb 0.16 0.23 -0.16 0.00 -1.74 0.00 0.00 39.64 38.13 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws n ALA 26 N -2.27 0.59 0.14 -1.28 0.00 -1.26 -4.70 120.51 111.74 2jws n ALA 26 Ca -0.04 -0.46 0.19 0.00 0.00 0.00 0.00 53.44 53.13 2jws n ALA 26 Cb 0.20 -1.96 0.77 0.00 0.00 0.00 0.00 19.45 18.46 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 9.69 0.00 -0.83 0.00 4.11 -1.98 -1.89 114.58 123.68 2jws h GLU 27 Ca -0.01 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.62 2jws h GLU 27 Cb 1.03 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 2jws h GLU 27 CO 1.27 0.00 -0.00 -0.22 0.07 0.00 0.00 179.01 180.13 2jws h LYS 28 N 0.00 0.08 -0.04 1.06 1.63 -2.01 1.40 116.57 118.69 2jws h LYS 28 Ca 0.15 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2jws h LYS 28 Cb 0.88 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2jws h LYS 28 CO -0.00 0.05 -0.17 1.88 -3.45 0.00 0.00 179.45 177.76 2jws h TYR 29 N 0.08 0.06 0.00 1.91 -1.99 -1.71 0.44 116.97 115.76 2jws h TYR 29 Ca 0.46 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.18 2jws h TYR 29 Cb 0.85 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 2jws h TYR 29 CO -0.46 0.23 -0.03 0.97 -0.00 0.00 0.00 178.16 178.87 2jws h ILE 30 N 0.05 0.66 0.01 -2.88 2.10 0.18 -1.14 117.51 116.49 2jws h ILE 30 Ca 0.01 -0.10 -0.25 0.00 1.08 0.00 0.00 64.86 65.60 2jws h ILE 30 Cb 0.33 1.06 0.01 0.00 -1.09 0.00 0.00 36.82 37.14 2jws h ILE 30 CO 0.02 0.03 -1.00 0.50 -1.08 0.00 0.00 178.15 176.62 2jws h LYS 31 N 0.00 0.53 -0.24 2.19 1.63 -0.32 0.91 116.57 121.27 2jws h LYS 31 Ca -0.00 -0.58 -0.00 0.00 -0.85 0.00 0.00 60.65 59.21 2jws h LYS 31 Cb 0.06 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2jws h LYS 31 CO 0.00 1.21 0.13 -0.07 -3.45 0.00 0.00 179.45 177.27 2jws h LEU 32 N 0.29 0.28 0.02 5.20 3.38 -1.05 0.33 115.31 123.76 2jws h LEU 32 Ca -0.10 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 2jws h LEU 32 Cb 1.65 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 2jws h LEU 32 CO 0.18 0.23 -1.61 2.30 0.09 0.00 0.00 178.44 179.63 2jws n ILE 33 N -4.48 1.57 0.20 1.22 -5.35 -1.07 -3.33 119.36 108.12 2jws n ILE 33 Ca 0.01 -0.19 0.12 0.00 -0.27 0.00 0.00 62.75 62.42 2jws n ILE 33 Cb 0.09 -1.96 0.69 0.00 -1.74 0.00 0.00 39.64 36.72 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 -0.48 2.07 0.00 -1.28 0.00 0.94 0.83 119.26 121.34 2jws h ALA 34 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jws h ALA 34 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2jws h ALA 34 CO -0.20 -0.17 -0.47 -0.97 0.00 0.00 0.00 179.25 177.44 2jws h ASN 35 N 0.00 0.00 0.00 0.00 -0.00 -0.50 -3.50 115.58 111.58 2jws h ASN 35 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 2jws h ASN 35 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 2jws h ASN 35 CO -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 177.43 177.46 2jws n ALA 36 N -2.01 0.00 0.00 1.57 0.00 0.28 -4.90 120.51 115.45 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 9.26 0.00 -3.29 0.00 3.00 -1.26 -4.82 118.16 121.05 2jws n LYS 37 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 2jws n LYS 37 Cb 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 35.03 34.54 2jws n LYS 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2jws n THR 38 N -1.64 -1.00 -0.34 3.15 -2.24 -1.26 -5.00 114.28 105.95 2jws n THR 38 Ca 0.00 -3.43 0.13 0.00 -2.27 0.00 0.00 64.05 58.49 2jws n THR 38 Cb 0.00 -1.54 0.26 0.00 -2.10 0.00 0.00 70.33 66.95 2jws n THR 38 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jws n VAL 39 N 2.42 -0.41 0.16 2.28 3.14 -1.26 0.13 118.33 124.80 2jws n VAL 39 Ca 0.26 2.14 -0.14 0.00 -2.96 0.00 0.00 64.34 63.65 2jws n VAL 39 Cb 0.50 -3.11 -0.08 0.00 -1.06 0.00 0.00 33.84 30.09 2jws n VAL 39 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2jws h GLU 40 N 0.00 -0.33 -0.60 1.45 4.11 -1.94 -2.73 114.58 114.53 2jws h GLU 40 Ca 0.57 0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.98 2jws h GLU 40 Cb 1.14 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2jws h GLU 40 CO -0.92 -0.18 0.19 0.78 0.07 0.00 0.00 179.01 178.95 2jws h GLY 41 N -0.41 0.97 -0.01 1.06 0.00 -0.61 -1.23 103.07 102.85 2jws h GLY 41 Ca -0.04 -0.54 0.16 0.00 0.00 0.00 0.00 47.33 46.92 2jws h GLY 41 CO 0.06 0.51 0.27 -2.08 0.00 0.00 0.00 176.54 175.30 2jws h VAL 42 N 0.88 0.57 0.00 4.60 2.07 0.13 1.84 116.25 126.34 2jws h VAL 42 Ca 0.20 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.49 2jws h VAL 42 Cb 0.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jws h VAL 42 CO -0.01 0.07 -0.58 4.11 0.02 0.00 0.00 177.57 181.18 2jws h TRP 43 N 0.37 0.00 0.05 1.57 0.09 -1.18 -2.82 115.95 114.03 2jws h TRP 43 Ca 0.45 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 59.36 2jws h TRP 43 Cb 0.75 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.99 2jws h TRP 43 CO -0.20 0.45 -0.29 1.15 0.09 0.00 0.00 178.44 179.65 2jws h THR 44 N 0.00 1.70 -0.21 0.12 2.02 0.52 -2.59 112.91 114.47 2jws h THR 44 Ca -0.02 -2.42 -0.02 0.00 0.77 0.00 0.00 66.41 64.72 2jws h THR 44 Cb 1.37 3.33 -0.01 0.00 -1.74 0.00 0.00 68.15 71.09 2jws h THR 44 CO 0.06 0.65 0.03 -0.07 0.37 0.00 0.00 175.52 176.55 2jws h LEU 45 N -0.77 0.27 0.63 2.58 3.38 0.26 0.30 115.31 121.94 2jws h LEU 45 Ca -0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2jws h LEU 45 Cb 1.23 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2jws h LEU 45 CO 0.05 0.30 -0.30 0.50 0.09 0.00 0.00 178.44 179.08 2jws h LYS 46 N 0.29 -0.81 -0.02 1.13 3.64 -1.57 0.95 116.57 120.19 2jws h LYS 46 Ca 0.07 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2jws h LYS 46 Cb 0.15 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jws h LYS 46 CO -0.00 -0.54 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.18 2jws h ASP 47 N -1.23 0.03 0.03 4.20 5.19 -1.32 -0.62 116.42 122.71 2jws h ASP 47 Ca -0.09 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2jws h ASP 47 Cb 0.65 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2jws h ASP 47 CO 0.14 0.05 -0.02 -0.08 -3.12 0.00 0.00 179.24 176.21 2jws h GLU 48 N 0.03 -0.04 0.00 3.56 4.22 -0.37 -2.65 114.58 119.34 2jws h GLU 48 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 2jws h GLU 48 Cb 0.05 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jws h GLU 48 CO 0.00 0.64 -0.01 0.97 -2.18 0.00 0.00 179.01 178.43 2jws h ILE 49 N -0.90 0.41 0.06 2.32 6.09 0.12 0.59 117.51 126.20 2jws h ILE 49 Ca -0.00 -0.02 -0.24 0.00 -1.37 0.00 0.00 64.86 63.22 2jws h ILE 49 Cb 0.70 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 2jws h ILE 49 CO 0.01 0.00 -1.10 0.25 -3.07 0.00 0.00 178.15 174.24 2jws h LEU 50 N 0.00 0.25 -1.26 2.19 5.85 -1.17 -3.24 115.31 117.93 2jws h LEU 50 Ca -0.00 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2jws h LEU 50 Cb 0.02 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2jws h LEU 50 CO 0.00 1.18 0.50 0.74 -0.34 0.00 0.00 178.44 180.52 2jws h THR 51 N 0.05 1.17 0.00 1.05 2.02 -0.50 -2.46 112.91 114.25 2jws h THR 51 Ca -0.08 -0.34 -0.37 0.00 0.77 0.00 0.00 66.41 66.39 2jws h THR 51 Cb 1.83 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2jws h THR 51 CO 0.17 0.18 2.03 2.22 0.37 0.00 0.00 175.52 180.49 2jws n PHE 52 N -4.43 1.17 0.00 3.16 -1.74 -1.05 -3.05 117.46 111.52 2jws n PHE 52 Ca 0.09 -1.93 0.00 0.00 -0.56 0.00 0.00 57.45 55.05 2jws n PHE 52 Cb 0.05 -1.72 0.00 0.00 1.52 0.00 0.00 39.48 39.33 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 3.58 0.00 -0.01 1.97 -1.04 -1.19 -5.02 114.28 112.56 2jws n THR 53 Ca 0.48 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.48 2jws n THR 53 Cb 0.31 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.82 2jws n THR 53 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2jws h VAL 54 N 0.00 0.00 -3.12 12.58 2.07 -1.51 -3.51 116.25 122.76 2jws h VAL 54 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2jws h VAL 54 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2jws h VAL 54 CO 0.00 0.00 -0.52 0.41 0.02 0.00 0.00 177.57 177.48 2jws n THR 55 N -2.71 -8.16 -0.47 2.57 -1.04 -1.17 -5.01 114.28 98.28 2jws n THR 55 Ca -0.01 1.76 0.00 0.00 -2.04 0.00 0.00 64.05 63.77 2jws n THR 55 Cb 0.02 -4.29 0.00 0.00 -1.82 0.00 0.00 70.33 64.24 2jws n THR 55 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64