#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws h THR 2 N 0.00 0.06 -1.63 4.28 1.35 -2.12 -3.47 112.91 111.38 2jws h THR 2 Ca 0.00 -0.85 -0.40 0.00 -0.55 0.00 0.00 66.41 64.60 2jws h THR 2 Cb 0.00 0.10 -0.12 0.00 -1.73 0.00 0.00 68.15 66.40 2jws h THR 2 CO 0.00 0.02 -0.41 0.00 -0.25 0.00 0.00 175.52 174.88 2jws n TYR 3 N -4.94 -0.34 -3.15 4.73 9.36 -1.26 -4.88 117.16 116.68 2jws n TYR 3 Ca -0.03 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.24 2jws n TYR 3 Cb 0.11 -3.49 -0.00 0.00 -0.63 0.00 0.00 39.34 35.33 2jws n TYR 3 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2jws s LYS 4 N -4.06 0.28 -0.37 2.98 2.47 -1.26 -5.09 119.74 114.69 2jws s LYS 4 Ca 0.00 0.35 -0.14 0.00 -1.56 0.00 0.00 55.97 54.61 2jws s LYS 4 Cb 0.00 0.17 -0.00 0.00 -1.46 0.00 0.00 37.83 36.54 2jws s LYS 4 CO 0.00 -0.46 0.31 -0.51 0.16 0.00 0.00 175.35 174.84 2jws s LEU 5 N 2.92 4.70 0.00 5.43 2.01 -1.26 -4.27 118.68 128.21 2jws s LEU 5 Ca 0.17 -0.54 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2jws s LEU 5 Cb -0.07 -2.22 0.00 0.00 0.01 0.00 0.00 46.19 43.91 2jws s LEU 5 CO -0.21 -0.36 0.00 -0.38 1.01 0.00 0.00 176.35 176.41 2jws n ILE 6 N 5.19 0.00 -2.70 -0.59 5.41 -1.26 -4.83 119.36 120.58 2jws n ILE 6 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2jws n ILE 6 Cb 0.49 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 2jws n ILE 6 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jws n LEU 7 N 0.00 0.00 0.00 1.39 4.77 -1.26 -4.70 117.00 117.20 2jws n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2jws n LEU 7 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2jws n LEU 7 CO 0.00 -0.76 -0.14 0.59 -1.33 0.00 0.00 177.39 175.75 2jws n ASN 8 N -3.46 0.04 -0.14 -1.43 5.03 -1.26 -4.79 115.26 109.24 2jws n ASN 8 Ca 0.00 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 2jws n ASN 8 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.80 2jws n ASN 8 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2jws h LEU 9 N 0.00 -0.23 -1.47 3.41 6.46 -1.90 0.93 115.31 122.50 2jws h LEU 9 Ca 0.00 0.11 0.18 0.00 -0.12 0.00 0.00 57.88 58.05 2jws h LEU 9 Cb 0.28 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.35 2jws h LEU 9 CO 0.00 -0.08 0.57 0.50 -0.62 0.00 0.00 178.44 178.81 2jws h LYS 10 N 0.09 0.46 0.00 1.25 3.64 -1.89 0.16 116.57 120.28 2jws h LYS 10 Ca 0.23 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.32 2jws h LYS 10 Cb 0.34 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2jws h LYS 10 CO -0.40 0.30 -1.56 0.37 -2.27 0.00 0.00 179.45 175.90 2jws h GLN 11 N 0.47 0.00 -0.61 1.90 -0.00 -1.29 -2.63 115.11 112.96 2jws h GLN 11 Ca 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 59.05 2jws h GLN 11 Cb 1.01 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.46 2jws h GLN 11 CO -0.17 0.51 0.19 0.00 0.00 0.00 0.00 178.83 179.36 2jws h ALA 12 N 1.08 1.20 0.10 3.38 0.00 0.26 -0.64 119.26 124.65 2jws h ALA 12 Ca -0.23 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2jws h ALA 12 Cb 1.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2jws h ALA 12 CO 0.08 0.56 -1.59 1.57 0.00 0.00 0.00 179.25 179.87 2jws h LYS 13 N 0.89 0.22 -0.51 0.00 -0.00 -1.17 -2.54 116.57 113.45 2jws h LYS 13 Ca 0.20 -0.38 0.00 0.00 -0.00 0.00 0.00 60.65 60.48 2jws h LYS 13 Cb 0.25 0.14 -0.03 0.00 -0.00 0.00 0.00 32.23 32.59 2jws h LYS 13 CO -0.01 1.06 0.34 1.05 -0.00 0.00 0.00 179.45 181.89 2jws h GLU 14 N 0.06 0.68 -0.04 0.07 -0.00 -1.29 1.05 114.58 115.11 2jws h GLU 14 Ca -0.26 -0.04 -0.11 0.00 -0.00 0.00 0.00 59.36 58.94 2jws h GLU 14 Cb 2.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 30.60 2jws h GLU 14 CO 0.15 0.45 -0.50 1.49 -0.00 0.00 0.00 179.01 180.59 2jws h GLU 15 N 0.70 0.10 -0.25 1.06 4.57 -1.24 -2.87 114.58 116.64 2jws h GLU 15 Ca 0.19 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.14 2jws h GLU 15 Cb -0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2jws h GLU 15 CO -0.04 0.58 -0.54 0.00 -1.18 0.00 0.00 179.01 177.83 2jws h ALA 16 N 1.41 0.57 -0.38 2.92 0.00 -0.69 -1.09 119.26 122.00 2jws h ALA 16 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2jws h ALA 16 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jws h ALA 16 CO 0.07 0.68 0.05 0.97 0.00 0.00 0.00 179.25 181.03 2jws h ILE 17 N 0.57 1.19 -0.05 0.00 6.09 0.13 0.02 117.51 125.46 2jws h ILE 17 Ca 0.01 -0.73 -0.15 0.00 -1.37 0.00 0.00 64.86 62.63 2jws h ILE 17 Cb 1.12 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.25 2jws h ILE 17 CO 0.11 0.26 -0.62 0.11 -3.07 0.00 0.00 178.15 174.94 2jws h LYS 18 N 0.56 0.20 0.22 2.19 1.79 -1.36 0.09 116.57 120.27 2jws h LYS 18 Ca 0.13 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2jws h LYS 18 Cb 0.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2jws h LYS 18 CO 0.00 0.76 -0.11 0.93 -1.08 0.00 0.00 179.45 179.95 2jws h GLU 19 N 0.14 -0.29 -0.07 3.15 3.07 0.21 -1.16 114.58 119.63 2jws h GLU 19 Ca -0.01 0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 2jws h GLU 19 Cb 1.13 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2jws h GLU 19 CO 0.09 -0.06 -0.78 1.25 -1.40 0.00 0.00 179.01 178.12 2jws h LEU 20 N -0.49 0.55 -1.57 1.33 5.85 -1.08 0.13 115.31 120.03 2jws h LEU 20 Ca -0.03 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2jws h LEU 20 Cb 0.37 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2jws h LEU 20 CO 0.05 1.14 -0.11 0.58 -0.34 0.00 0.00 178.44 179.76 2jws h VAL 21 N 0.30 1.14 0.05 1.05 2.07 -0.97 0.82 116.25 120.71 2jws h VAL 21 Ca -0.04 -0.60 -0.32 0.00 0.82 0.00 0.00 66.70 66.56 2jws h VAL 21 Cb 1.37 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2jws h VAL 21 CO 0.14 0.18 -1.82 -0.67 0.02 0.00 0.00 177.57 175.42 2jws n ASP 22 N -4.34 1.40 0.11 0.57 -0.08 -0.44 -3.97 116.55 109.80 2jws n ASP 22 Ca -0.01 0.34 0.13 0.00 -1.51 0.00 0.00 54.79 53.74 2jws n ASP 22 Cb 0.23 -0.41 0.38 0.00 2.34 0.00 0.00 41.12 43.66 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jws h ALA 23 N 0.62 0.99 -5.90 -1.67 0.00 -0.39 -3.49 119.26 109.41 2jws h ALA 23 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jws h ALA 23 Cb 2.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2jws h ALA 23 CO 0.09 0.00 -0.76 0.41 0.00 0.00 0.00 179.25 178.99 2jws n GLY 24 N 1.30 -1.47 0.82 0.00 0.00 0.28 -5.02 105.19 101.09 2jws n GLY 24 Ca 0.05 0.35 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 1.68 0.00 -1.50 -0.61 -0.00 -1.25 -5.07 119.36 112.60 2jws n ILE 25 Ca -0.06 -0.21 -0.31 0.00 -0.00 0.00 0.00 62.75 62.17 2jws n ILE 25 Cb 0.28 0.21 -0.18 0.00 -0.00 0.00 0.00 39.64 39.95 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jws n ALA 26 N -2.47 0.72 0.04 -1.28 0.00 -1.26 -4.70 120.51 111.56 2jws n ALA 26 Ca -0.04 -0.61 0.22 0.00 0.00 0.00 0.00 53.44 53.01 2jws n ALA 26 Cb 0.13 -2.41 0.70 0.00 0.00 0.00 0.00 19.45 17.87 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 11.81 0.00 -0.80 0.00 4.81 -1.97 -0.91 114.58 127.52 2jws h GLU 27 Ca -0.01 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2jws h GLU 27 Cb 1.21 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.45 2jws h GLU 27 CO 1.48 0.00 0.05 -0.22 -0.73 0.00 0.00 179.01 179.60 2jws h LYS 28 N 0.00 0.12 0.00 1.92 1.63 -2.01 1.24 116.57 119.46 2jws h LYS 28 Ca 0.24 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2jws h LYS 28 Cb 1.38 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2jws h LYS 28 CO -0.00 0.08 -0.20 1.88 -3.45 0.00 0.00 179.45 177.75 2jws h TYR 29 N 0.12 0.00 0.00 1.91 -1.99 -1.53 0.34 116.97 115.82 2jws h TYR 29 Ca 0.45 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.17 2jws h TYR 29 Cb 0.83 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 2jws h TYR 29 CO -0.40 0.20 -0.08 0.97 -0.00 0.00 0.00 178.16 178.86 2jws h ILE 30 N 0.00 0.70 -0.02 -2.88 2.10 0.14 -1.31 117.51 116.24 2jws h ILE 30 Ca -0.00 -0.31 -0.22 0.00 1.08 0.00 0.00 64.86 65.41 2jws h ILE 30 Cb 0.37 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 2jws h ILE 30 CO 0.03 0.08 -0.90 0.50 -1.08 0.00 0.00 178.15 176.78 2jws h LYS 31 N 0.00 0.44 -0.46 2.19 3.64 -0.27 0.89 116.57 123.01 2jws h LYS 31 Ca -0.00 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2jws h LYS 31 Cb 0.18 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2jws h LYS 31 CO 0.01 1.10 0.28 -0.07 -2.27 0.00 0.00 179.45 178.50 2jws h LEU 32 N 0.26 0.54 0.05 5.20 3.38 -1.08 0.47 115.31 124.13 2jws h LEU 32 Ca -0.07 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.59 2jws h LEU 32 Cb 1.52 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2jws h LEU 32 CO 0.16 0.41 -1.54 0.16 0.09 0.00 0.00 178.44 177.72 2jws h ILE 33 N 0.63 0.81 0.00 1.22 3.07 -1.44 -3.15 117.51 118.64 2jws h ILE 33 Ca 0.17 -2.24 -0.01 0.00 1.55 0.00 0.00 64.86 64.33 2jws h ILE 33 Cb -0.03 2.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2jws h ILE 33 CO -0.03 0.53 -0.05 0.00 -1.05 0.00 0.00 178.15 177.54 2jws h ALA 34 N -0.29 1.87 0.00 0.16 0.00 0.94 -1.06 119.26 120.88 2jws h ALA 34 Ca -0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2jws h ALA 34 Cb 1.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2jws h ALA 34 CO -0.10 0.07 -0.57 -0.97 0.00 0.00 0.00 179.25 177.68 2jws h ASN 35 N 0.00 0.00 0.00 0.00 -1.24 -0.21 -3.50 115.58 110.64 2jws h ASN 35 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jws h ASN 35 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2jws h ASN 35 CO 0.01 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.23 2jws n ALA 36 N -2.17 0.00 0.00 1.57 0.00 -0.40 -4.90 120.51 114.61 2jws n ALA 36 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jws n ALA 36 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 13.64 0.00 -3.27 0.00 3.00 -1.26 -4.83 118.16 125.44 2jws n LYS 37 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 2jws n LYS 37 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 35.03 34.58 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 -1.52 -0.98 -0.33 3.15 -2.24 -1.26 -5.01 114.28 106.08 2jws n THR 38 Ca 0.00 -3.07 0.08 0.00 -2.27 0.00 0.00 64.05 58.79 2jws n THR 38 Cb 0.00 -1.22 0.17 0.00 -2.10 0.00 0.00 70.33 67.18 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 2.72 -0.39 -0.07 2.28 3.14 -1.26 0.11 118.33 124.86 2jws n VAL 39 Ca 0.27 2.13 -0.09 0.00 -2.96 0.00 0.00 64.34 63.69 2jws n VAL 39 Cb 0.50 -2.99 -0.02 0.00 -1.06 0.00 0.00 33.84 30.26 2jws n VAL 39 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2jws h GLU 40 N 0.00 0.32 -0.57 1.45 5.08 -2.00 -2.63 114.58 116.23 2jws h GLU 40 Ca 0.48 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 2jws h GLU 40 Cb 0.82 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2jws h GLU 40 CO -0.95 0.21 -0.04 0.78 -1.00 0.00 0.00 179.01 178.01 2jws h GLY 41 N 0.33 1.13 -0.29 -3.84 0.00 0.18 -1.86 103.07 98.72 2jws h GLY 41 Ca 0.10 -0.87 0.15 0.00 0.00 0.00 0.00 47.33 46.71 2jws h GLY 41 CO -0.03 0.79 -0.06 -2.08 0.00 0.00 0.00 176.54 175.16 2jws h VAL 42 N 0.93 0.37 0.00 4.60 2.07 0.11 1.93 116.25 126.26 2jws h VAL 42 Ca 0.16 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2jws h VAL 42 Cb 0.61 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2jws h VAL 42 CO 0.04 0.01 -0.53 4.11 0.02 0.00 0.00 177.57 181.22 2jws h TRP 43 N 0.07 0.00 0.19 1.57 5.08 -1.41 -2.86 115.95 118.58 2jws h TRP 43 Ca 0.36 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 60.07 2jws h TRP 43 Cb 0.60 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.79 2jws h TRP 43 CO -0.46 0.53 -1.14 1.15 -1.28 0.00 0.00 178.44 177.24 2jws h THR 44 N 0.00 1.39 -0.32 0.12 2.02 0.34 -2.57 112.91 113.89 2jws h THR 44 Ca -0.01 -2.59 -0.03 0.00 0.77 0.00 0.00 66.41 64.56 2jws h THR 44 Cb 1.27 3.08 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 2jws h THR 44 CO 0.07 0.76 0.06 -0.07 0.37 0.00 0.00 175.52 176.71 2jws h LEU 45 N -0.08 0.42 0.45 2.58 -0.00 0.28 0.19 115.31 119.15 2jws h LEU 45 Ca -0.20 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2jws h LEU 45 Cb 1.89 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.45 2jws h LEU 45 CO 0.22 0.44 -0.21 0.50 -0.00 0.00 0.00 178.44 179.38 2jws h LYS 46 N 0.46 -0.58 -0.38 1.13 3.64 -1.55 0.84 116.57 120.13 2jws h LYS 46 Ca 0.11 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2jws h LYS 46 Cb 0.20 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2jws h LYS 46 CO -0.00 -0.39 0.30 -0.44 -2.27 0.00 0.00 179.45 176.65 2jws h ASP 47 N -0.95 0.00 0.00 4.20 5.19 -1.38 0.16 116.42 123.65 2jws h ASP 47 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2jws h ASP 47 Cb 0.46 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.97 2jws h ASP 47 CO 0.10 0.00 -0.00 -0.08 -3.12 0.00 0.00 179.24 176.14 2jws h GLU 48 N 0.00 0.00 -0.05 3.56 4.81 -0.57 -2.61 114.58 119.72 2jws h GLU 48 Ca 0.18 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2jws h GLU 48 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2jws h GLU 48 CO -0.00 0.53 0.08 0.97 -0.73 0.00 0.00 179.01 179.85 2jws h ILE 49 N -1.00 0.37 0.09 2.32 6.09 0.12 0.17 117.51 125.67 2jws h ILE 49 Ca -0.00 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 2jws h ILE 49 Cb 0.53 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 2jws h ILE 49 CO -0.00 0.00 -1.19 0.25 -3.07 0.00 0.00 178.15 174.14 2jws h LEU 50 N 0.00 0.29 -2.02 2.19 5.85 -0.77 -3.21 115.31 117.63 2jws h LEU 50 Ca 0.02 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2jws h LEU 50 Cb 0.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2jws h LEU 50 CO -0.00 1.25 0.13 0.74 -0.34 0.00 0.00 178.44 180.21 2jws h THR 51 N 0.05 0.88 -0.08 1.05 2.02 -0.26 0.16 112.91 116.74 2jws h THR 51 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2jws h THR 51 Cb 1.91 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2jws h THR 51 CO 0.18 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.29 2jws n PHE 52 N -4.44 0.14 -2.82 3.16 -1.74 -1.07 -3.84 117.46 106.85 2jws n PHE 52 Ca 0.01 -0.06 -0.11 0.00 -0.56 0.00 0.00 57.45 56.73 2jws n PHE 52 Cb 0.26 -0.03 0.05 0.00 1.52 0.00 0.00 39.48 41.27 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 -0.18 0.29 -3.93 1.97 5.66 0.56 -5.07 114.28 113.59 2jws n THR 53 Ca 0.03 -2.82 -0.31 0.00 -3.05 0.00 0.00 64.05 57.90 2jws n THR 53 Cb 0.14 0.65 -0.15 0.00 -1.55 0.00 0.00 70.33 69.42 2jws n THR 53 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jws s VAL 54 N -1.59 1.65 0.00 1.08 1.01 -1.23 -5.00 120.40 116.31 2jws s VAL 54 Ca 0.28 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2jws s VAL 54 Cb 0.39 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2jws s VAL 54 CO -0.04 -0.34 0.00 0.35 0.00 0.00 0.00 175.10 175.08 2jws n THR 55 N 4.58 0.00 -0.88 3.92 -2.24 -1.26 -5.12 114.28 113.27 2jws n THR 55 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2jws n THR 55 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2jws n THR 55 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88