#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 -0.85 -1.23 12.58 -1.04 -1.26 -4.63 114.28 117.85 2jws n THR 2 Ca 0.00 0.91 -0.05 0.00 -2.04 0.00 0.00 64.05 62.86 2jws n THR 2 Cb 0.00 -1.39 0.23 0.00 -1.82 0.00 0.00 70.33 67.35 2jws n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jws n TYR 3 N -4.36 1.68 -3.08 -1.42 9.36 -1.26 -4.64 117.16 113.44 2jws n TYR 3 Ca -0.09 -1.41 -0.18 0.00 3.32 0.00 0.00 57.90 59.54 2jws n TYR 3 Cb 0.69 -0.57 -0.02 0.00 -0.63 0.00 0.00 39.34 38.80 2jws n TYR 3 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jws n LYS 4 N -0.80 0.83 -3.04 2.98 0.00 -1.26 -4.98 118.16 111.88 2jws n LYS 4 Ca 0.37 -2.91 -0.16 0.00 0.00 0.00 0.00 58.31 55.60 2jws n LYS 4 Cb 1.19 -1.38 -0.00 0.00 0.00 0.00 0.00 35.03 34.84 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 1.01 -0.38 -4.31 3.14 4.32 -1.26 -5.04 117.00 114.48 2jws n LEU 5 Ca 0.19 -4.49 -0.44 0.00 -0.02 0.00 0.00 56.01 51.25 2jws n LEU 5 Cb 0.60 0.77 -0.01 0.00 -1.62 0.00 0.00 43.42 43.16 2jws n LEU 5 CO 0.15 2.17 0.73 0.27 -1.22 0.00 0.00 177.39 179.49 2jws s ILE 6 N -1.28 5.81 -0.02 -0.08 -4.36 -1.26 -5.00 121.20 115.01 2jws s ILE 6 Ca 0.34 -3.46 0.03 0.00 -0.26 0.00 0.00 60.65 57.30 2jws s ILE 6 Cb 0.29 -4.50 -0.00 0.00 1.25 0.00 0.00 42.46 39.50 2jws s ILE 6 CO -0.09 -1.17 -0.10 -0.76 0.24 0.00 0.00 174.94 173.05 2jws s LEU 7 N -1.25 1.90 -0.34 0.37 1.43 -1.26 -5.03 118.68 114.50 2jws s LEU 7 Ca 0.30 -0.19 0.14 0.00 -1.03 0.00 0.00 54.13 53.35 2jws s LEU 7 Cb -0.10 -0.56 0.42 0.00 0.03 0.00 0.00 46.19 45.99 2jws s LEU 7 CO -0.09 0.10 1.43 -0.46 0.23 0.00 0.00 176.35 177.56 2jws n ASN 8 N 3.06 -0.97 0.09 2.29 6.94 -1.26 -4.95 115.26 120.45 2jws n ASN 8 Ca -0.16 -2.25 -0.01 0.00 -0.02 0.00 0.00 54.58 52.14 2jws n ASN 8 Cb 0.55 0.52 0.26 0.00 -2.36 0.00 0.00 39.78 38.75 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 1.48 0.27 -1.17 -4.53 8.10 -1.96 0.48 115.31 117.99 2jws h LEU 9 Ca -0.36 -0.10 0.13 0.00 0.11 0.00 0.00 57.88 57.66 2jws h LEU 9 Cb 1.29 -0.07 -0.08 0.00 -0.44 0.00 0.00 40.66 41.36 2jws h LEU 9 CO -0.09 0.59 0.60 0.50 -4.11 0.00 0.00 178.44 175.93 2jws h LYS 10 N 0.24 0.79 0.04 0.17 3.64 -1.96 0.28 116.57 119.76 2jws h LYS 10 Ca 0.03 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 2jws h LYS 10 Cb 0.69 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2jws h LYS 10 CO 0.05 0.53 -1.81 0.94 -2.27 0.00 0.00 179.45 176.89 2jws n GLN 11 N -4.58 0.67 -0.27 1.90 0.00 -1.07 -2.43 117.38 111.60 2jws n GLN 11 Ca 0.18 0.28 -0.00 0.00 -0.00 0.00 0.00 57.00 57.46 2jws n GLN 11 Cb 0.42 -1.76 0.20 0.00 0.00 0.00 0.00 30.24 29.09 2jws n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jws h ALA 12 N 0.73 1.40 0.13 1.69 0.00 0.01 0.83 119.26 124.05 2jws h ALA 12 Ca -0.33 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 2jws h ALA 12 Cb 2.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2jws h ALA 12 CO 0.08 0.55 -1.64 1.57 0.00 0.00 0.00 179.25 179.82 2jws h LYS 13 N 1.13 0.27 -0.14 0.00 -0.00 -0.62 -2.65 116.57 114.56 2jws h LYS 13 Ca 0.30 -0.47 0.03 0.00 -0.00 0.00 0.00 60.65 60.52 2jws h LYS 13 Cb -0.13 0.17 -0.03 0.00 -0.00 0.00 0.00 32.23 32.25 2jws h LYS 13 CO -0.07 1.14 -0.06 0.93 -0.00 0.00 0.00 179.45 181.39 2jws h GLU 14 N 0.07 -0.05 -0.32 0.07 4.39 -1.16 1.10 114.58 118.69 2jws h GLU 14 Ca -0.29 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 2jws h GLU 14 Cb 2.04 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 2jws h GLU 14 CO 0.16 -0.03 -0.03 1.49 -1.16 0.00 0.00 179.01 179.44 2jws h GLU 15 N -0.05 0.49 -0.60 2.33 4.57 -0.97 -1.95 114.58 118.40 2jws h GLU 15 Ca 0.08 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2jws h GLU 15 Cb 0.16 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2jws h GLU 15 CO -0.17 0.54 0.07 0.00 -1.18 0.00 0.00 179.01 178.27 2jws h ALA 16 N 1.51 0.98 -0.22 2.92 0.00 -0.58 -1.47 119.26 122.40 2jws h ALA 16 Ca 0.10 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jws h ALA 16 Cb 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jws h ALA 16 CO 0.01 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.66 2jws h ILE 17 N 0.93 0.78 -0.31 0.00 1.08 0.19 0.97 117.51 121.16 2jws h ILE 17 Ca 0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 2jws h ILE 17 Cb 0.45 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2jws h ILE 17 CO 0.02 0.00 0.17 0.11 -0.69 0.00 0.00 178.15 177.76 2jws h LYS 18 N -0.00 0.42 0.23 2.37 1.57 -1.27 0.85 116.57 120.73 2jws h LYS 18 Ca 0.10 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2jws h LYS 18 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jws h LYS 18 CO -0.23 0.31 -0.11 0.93 -0.57 0.00 0.00 179.45 179.78 2jws h GLU 19 N 0.42 -0.30 0.00 3.15 3.07 0.18 0.14 114.58 121.26 2jws h GLU 19 Ca 0.11 0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.78 2jws h GLU 19 Cb 0.01 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2jws h GLU 19 CO -0.02 -0.13 -0.92 1.25 -1.40 0.00 0.00 179.01 177.79 2jws h LEU 20 N -0.40 0.39 -1.46 1.33 5.85 -0.59 0.47 115.31 120.91 2jws h LEU 20 Ca -0.03 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2jws h LEU 20 Cb 0.30 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2jws h LEU 20 CO 0.05 1.12 -0.17 0.58 -0.34 0.00 0.00 178.44 179.68 2jws h VAL 21 N 0.17 1.17 0.09 1.05 2.07 0.79 0.94 116.25 122.54 2jws h VAL 21 Ca -0.06 -0.79 -0.33 0.00 0.82 0.00 0.00 66.70 66.35 2jws h VAL 21 Cb 1.55 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2jws h VAL 21 CO 0.15 0.24 -1.77 0.44 0.02 0.00 0.00 177.57 176.65 2jws h ASP 22 N 0.13 0.30 1.45 0.57 5.19 -0.65 -3.32 116.42 120.09 2jws h ASP 22 Ca 0.03 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 2jws h ASP 22 Cb 0.39 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2jws h ASP 22 CO 0.03 1.50 0.00 0.00 -3.12 0.00 0.00 179.24 177.64 2jws h ALA 23 N 0.46 1.00 -6.46 3.45 0.00 -0.59 -3.49 119.26 113.62 2jws h ALA 23 Ca -0.33 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.22 2jws h ALA 23 Cb 2.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.83 2jws h ALA 23 CO 0.11 0.00 -1.16 0.41 0.00 0.00 0.00 179.25 178.61 2jws n GLY 24 N 1.14 0.01 0.00 0.00 0.00 0.32 -5.00 105.19 101.66 2jws n GLY 24 Ca 0.05 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.23 2jws n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jws n ILE 25 N -0.27 0.00 -1.51 -0.61 -0.00 -1.25 -5.05 119.36 110.67 2jws n ILE 25 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.36 2jws n ILE 25 Cb 0.67 0.00 -0.16 0.00 -0.00 0.00 0.00 39.64 40.15 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 -3.00 0.66 0.08 -1.39 0.00 -1.26 -4.71 120.51 110.89 2jws n ALA 26 Ca 0.00 -0.63 0.21 0.00 0.00 0.00 0.00 53.44 53.02 2jws n ALA 26 Cb 0.00 -2.48 0.74 0.00 0.00 0.00 0.00 19.45 17.71 2jws n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jws h GLU 27 N 12.35 0.00 -0.82 0.00 5.08 -1.96 -1.14 114.58 128.09 2jws h GLU 27 Ca -0.03 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.54 2jws h GLU 27 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 2jws h GLU 27 CO 1.43 0.00 0.13 -0.22 -1.00 0.00 0.00 179.01 179.35 2jws h LYS 28 N 0.00 0.16 -0.15 2.33 1.63 -2.01 1.17 116.57 119.70 2jws h LYS 28 Ca 0.20 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 2jws h LYS 28 Cb 1.10 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2jws h LYS 28 CO -0.00 0.11 -0.04 1.88 -3.45 0.00 0.00 179.45 177.94 2jws h TYR 29 N 0.17 0.22 0.00 1.91 -1.99 -1.57 0.26 116.97 115.97 2jws h TYR 29 Ca 0.49 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.20 2jws h TYR 29 Cb 0.93 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.59 2jws h TYR 29 CO -0.34 0.27 -0.03 0.97 -0.00 0.00 0.00 178.16 179.04 2jws h ILE 30 N 0.22 0.68 0.03 -2.88 2.10 0.13 -1.50 117.51 116.29 2jws h ILE 30 Ca 0.05 -0.12 -0.26 0.00 1.08 0.00 0.00 64.86 65.62 2jws h ILE 30 Cb 0.22 1.07 0.01 0.00 -1.09 0.00 0.00 36.82 37.04 2jws h ILE 30 CO 0.01 0.03 -1.06 0.50 -1.08 0.00 0.00 178.15 176.55 2jws h LYS 31 N 0.00 0.52 -0.22 2.19 1.63 -0.51 0.71 116.57 120.90 2jws h LYS 31 Ca -0.00 -0.61 -0.01 0.00 -0.85 0.00 0.00 60.65 59.18 2jws h LYS 31 Cb 0.07 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2jws h LYS 31 CO 0.00 1.23 0.09 -0.07 -3.45 0.00 0.00 179.45 177.26 2jws h LEU 32 N 0.27 0.26 0.04 5.20 3.38 -1.10 0.23 115.31 123.59 2jws h LEU 32 Ca -0.12 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.52 2jws h LEU 32 Cb 1.71 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 2jws h LEU 32 CO 0.19 0.24 -1.74 2.30 0.09 0.00 0.00 178.44 179.52 2jws n ILE 33 N -4.45 1.62 0.23 1.22 -5.35 -1.08 -3.32 119.36 108.23 2jws n ILE 33 Ca 0.00 -0.32 0.10 0.00 -0.27 0.00 0.00 62.75 62.26 2jws n ILE 33 Cb 0.12 -1.88 0.66 0.00 -1.74 0.00 0.00 39.64 36.80 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 -0.33 2.03 0.00 -1.28 0.00 0.56 0.39 119.26 120.63 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 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2jws h ALA 34 CO -0.13 -0.08 -0.53 -1.71 0.00 0.00 0.00 179.25 176.81 2jws n ASN 35 N -4.47 0.69 0.00 0.00 5.15 0.78 -5.02 115.26 112.39 2jws n ASN 35 Ca -0.02 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2jws n ASN 35 Cb 0.15 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2jws n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jws n ALA 36 N -1.80 0.00 0.00 5.20 0.00 0.13 -4.87 120.51 119.17 2jws n ALA 36 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jws n ALA 36 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.13 0.00 0.00 -1.26 -4.81 118.16 122.96 2jws n LYS 37 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.12 2jws n LYS 37 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 35.03 34.20 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 -2.00 -0.71 -0.35 3.15 -2.24 -1.26 -5.02 114.28 105.85 2jws n THR 38 Ca 0.00 -2.68 0.07 0.00 -2.27 0.00 0.00 64.05 59.18 2jws n THR 38 Cb 0.00 -0.70 0.17 0.00 -2.10 0.00 0.00 70.33 67.69 2jws n THR 38 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2jws h VAL 39 N 4.23 0.03 -0.75 2.28 3.04 -1.97 1.10 116.25 124.22 2jws h VAL 39 Ca 0.15 -0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.86 2jws h VAL 39 Cb 0.97 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.24 2jws h VAL 39 CO 0.28 0.00 0.48 -0.33 -1.01 0.00 0.00 177.57 176.99 2jws h GLU 40 N 0.00 0.93 -0.12 4.17 5.08 -1.97 -2.60 114.58 120.07 2jws h GLU 40 Ca 0.49 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.76 2jws h GLU 40 Cb 0.83 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jws h GLU 40 CO -0.98 0.62 -0.09 0.78 -1.00 0.00 0.00 179.01 178.34 2jws h GLY 41 N 0.96 0.31 -0.65 -3.84 0.00 0.40 -2.06 103.07 98.19 2jws h GLY 41 Ca 0.29 -0.30 0.32 0.00 0.00 0.00 0.00 47.33 47.64 2jws h GLY 41 CO -0.09 0.27 0.44 -2.08 0.00 0.00 0.00 176.54 175.08 2jws h VAL 42 N -0.09 0.21 0.03 4.60 2.07 0.97 2.13 116.25 126.18 2jws h VAL 42 Ca 0.02 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.26 2jws h VAL 42 Cb 0.59 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2jws h VAL 42 CO 0.02 0.04 -0.99 -0.25 0.02 0.00 0.00 177.57 176.41 2jws h TRP 43 N 0.20 0.22 0.04 1.57 2.91 -1.39 -2.80 115.95 116.70 2jws h TRP 43 Ca 0.71 -0.14 -0.08 0.00 1.13 0.00 0.00 58.89 60.50 2jws h TRP 43 Cb 1.63 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 30.28 2jws h TRP 43 CO -0.11 1.04 -0.35 1.15 -1.03 0.00 0.00 178.44 179.14 2jws h THR 44 N 0.06 1.62 -0.59 2.65 2.02 0.17 -2.63 112.91 116.21 2jws h THR 44 Ca -0.05 -2.26 0.04 0.00 0.77 0.00 0.00 66.41 64.91 2jws h THR 44 Cb 1.69 3.11 -0.03 0.00 -1.74 0.00 0.00 68.15 71.17 2jws h THR 44 CO 0.15 0.62 0.39 -0.07 0.37 0.00 0.00 175.52 176.97 2jws h LEU 45 N -0.62 0.56 0.60 2.58 -0.00 0.28 0.54 115.31 119.27 2jws h LEU 45 Ca -0.06 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2jws h LEU 45 Cb 1.21 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2jws h LEU 45 CO 0.07 0.38 -0.29 0.50 -0.00 0.00 0.00 178.44 179.10 2jws h LYS 46 N 0.65 -0.78 -0.23 1.13 3.64 -1.56 0.92 116.57 120.33 2jws h LYS 46 Ca 0.24 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2jws h LYS 46 Cb 0.15 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2jws h LYS 46 CO -0.07 -0.52 0.16 -0.44 -2.27 0.00 0.00 179.45 176.31 2jws h ASP 47 N -1.22 0.18 0.05 4.20 3.32 -1.24 -1.17 116.42 120.53 2jws h ASP 47 Ca -0.08 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jws h ASP 47 Cb 0.62 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2jws h ASP 47 CO 0.14 0.12 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.68 2jws h GLU 48 N 0.21 -0.06 -0.12 3.56 4.81 0.13 -2.67 114.58 120.43 2jws h GLU 48 Ca 0.10 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2jws h GLU 48 Cb 0.13 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jws h GLU 48 CO -0.02 0.53 0.18 0.97 -0.73 0.00 0.00 179.01 179.94 2jws h ILE 49 N -0.93 0.35 0.17 2.32 6.09 0.11 0.18 117.51 125.80 2jws h ILE 49 Ca -0.01 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.19 2jws h ILE 49 Cb 0.61 0.85 0.01 0.00 0.47 0.00 0.00 36.82 38.77 2jws h ILE 49 CO 0.01 0.00 -1.32 0.25 -3.07 0.00 0.00 178.15 174.02 2jws h LEU 50 N 0.00 0.55 -2.32 2.19 5.85 -1.27 -3.17 115.31 117.14 2jws h LEU 50 Ca 0.06 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.22 2jws h LEU 50 Cb 0.41 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2jws h LEU 50 CO -0.00 1.47 0.16 0.74 -0.34 0.00 0.00 178.44 180.47 2jws h THR 51 N 0.10 0.40 -0.23 1.05 2.02 -0.28 0.24 112.91 116.21 2jws h THR 51 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2jws h THR 51 Cb 2.03 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jws h THR 51 CO 0.23 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.34 2jws n PHE 52 N -3.68 0.57 -2.80 3.16 -1.74 -1.04 -4.05 117.46 107.88 2jws n PHE 52 Ca 0.00 -0.22 -0.10 0.00 -0.56 0.00 0.00 57.45 56.57 2jws n PHE 52 Cb 0.27 -0.14 0.06 0.00 1.52 0.00 0.00 39.48 41.19 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 0.24 0.12 -3.87 1.97 5.66 0.84 -5.09 114.28 114.15 2jws n THR 53 Ca 0.09 -2.36 -0.30 0.00 -3.05 0.00 0.00 64.05 58.43 2jws n THR 53 Cb 0.43 0.88 -0.16 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.82 1.32 -0.36 1.08 1.01 -1.24 -4.98 120.40 116.40 2jws s VAL 54 Ca 0.26 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 61.02 2jws s VAL 54 Cb 0.36 -1.75 0.46 0.00 0.00 0.00 0.00 36.38 35.45 2jws s VAL 54 CO -0.05 -0.29 1.39 0.35 0.00 0.00 0.00 175.10 176.50 2jws n THR 55 N 4.72 2.74 0.10 3.92 -2.24 -1.26 -5.12 114.28 117.13 2jws n THR 55 Ca -0.08 -3.76 0.01 0.00 -2.27 0.00 0.00 64.05 57.95 2jws n THR 55 Cb 0.44 -1.01 0.05 0.00 -2.10 0.00 0.00 70.33 67.70 2jws n THR 55 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71