#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwd s GLN 2 N 0.00 1.76 0.05 3.17 -0.21 -1.26 -1.27 119.66 121.91 2kwd s GLN 2 Ca 0.00 -1.16 0.07 0.00 0.02 0.00 0.00 55.36 54.29 2kwd s GLN 2 Cb 0.00 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 2kwd s GLN 2 CO 0.00 0.49 -0.18 0.71 -2.12 0.00 0.00 175.29 174.20 2kwd s TYR 3 N -1.01 2.57 -0.14 0.91 2.02 -0.71 -4.79 117.35 116.21 2kwd s TYR 3 Ca 0.15 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2kwd s TYR 3 Cb -0.10 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2kwd s TYR 3 CO 0.06 0.27 -0.20 0.21 -1.57 0.00 0.00 175.55 174.33 2kwd s LYS 4 N -1.54 3.09 -0.18 -0.62 2.20 0.15 -2.12 119.74 120.72 2kwd s LYS 4 Ca 0.15 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2kwd s LYS 4 Cb -0.11 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 2kwd s LYS 4 CO 0.06 0.04 0.04 -1.17 -0.36 0.00 0.00 175.35 173.97 2kwd s LEU 5 N 0.70 3.66 -0.16 5.43 1.98 0.43 0.11 118.68 130.83 2kwd s LEU 5 Ca -0.09 0.01 -0.11 0.00 -2.89 0.00 0.00 54.13 51.04 2kwd s LEU 5 Cb -0.16 -1.92 -0.05 0.00 0.66 0.00 0.00 46.19 44.72 2kwd s LEU 5 CO 0.01 0.15 0.22 -0.63 -1.89 0.00 0.00 176.35 174.22 2kwd s ILE 6 N 0.48 5.35 -0.39 6.68 -1.09 0.17 0.41 121.20 132.81 2kwd s ILE 6 Ca 0.02 0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 58.63 2kwd s ILE 6 Cb -0.13 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2kwd s ILE 6 CO 0.01 0.45 0.62 -0.76 -1.23 0.00 0.00 174.94 174.03 2kwd s LEU 7 N 0.10 4.37 -0.42 2.97 1.02 -0.74 -3.25 118.68 122.72 2kwd s LEU 7 Ca 0.14 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.24 2kwd s LEU 7 Cb -0.12 -2.73 0.15 0.00 0.02 0.00 0.00 46.19 43.50 2kwd s LEU 7 CO 0.02 -0.65 0.27 0.54 0.02 0.00 0.00 176.35 176.56 2kwd s ASN 8 N 1.87 3.06 0.00 2.29 4.22 -1.20 -3.25 114.94 121.93 2kwd s ASN 8 Ca 0.23 -2.66 0.00 0.00 -2.14 0.00 0.00 52.86 48.29 2kwd s ASN 8 Cb -0.14 -0.75 0.00 0.00 1.28 0.00 0.00 41.25 41.64 2kwd s ASN 8 CO 0.16 -0.25 0.00 0.61 -2.04 0.00 0.00 177.10 175.58 2kwd n GLY 9 N 3.46 6.57 0.12 0.45 0.00 -1.01 -3.71 105.19 111.07 2kwd n GLY 9 Ca 0.15 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2kwd n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kwd h LYS 10 N 0.00 -0.19 0.00 1.61 1.57 -1.93 -3.41 116.57 114.22 2kwd h LYS 10 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kwd h LYS 10 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2kwd h LYS 10 CO 0.00 0.19 -0.04 0.25 -0.57 0.00 0.00 179.45 179.28 2kwd n THR 11 N -4.99 0.00 -2.95 -0.16 -2.24 -1.26 -5.02 114.28 97.66 2kwd n THR 11 Ca -0.09 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 2kwd n THR 11 Cb 0.24 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.34 2kwd n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kwd s LEU 12 N -0.89 4.19 -0.01 3.22 0.20 -1.26 -5.02 118.68 119.11 2kwd s LEU 12 Ca 0.00 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.88 2kwd s LEU 12 Cb 0.00 -3.01 0.01 0.00 -0.43 0.00 0.00 46.19 42.76 2kwd s LEU 12 CO 0.00 -0.88 -0.00 -0.54 -0.29 0.00 0.00 176.35 174.64 2kwd s LYS 13 N 3.29 0.08 0.00 1.98 3.01 -1.26 -2.39 119.74 124.44 2kwd s LYS 13 Ca 0.31 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.30 2kwd s LYS 13 Cb -0.12 -0.16 0.00 0.00 -1.01 0.00 0.00 37.83 36.54 2kwd s LYS 13 CO 0.21 -0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.45 2kwd n GLY 14 N 3.42 -0.61 3.34 -3.33 0.00 -1.20 -4.98 105.19 101.83 2kwd n GLY 14 Ca -0.17 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2kwd n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwd s GLU 15 N -0.89 1.31 -0.04 1.61 0.41 -1.26 -1.80 118.70 118.04 2kwd s GLU 15 Ca 0.00 -1.54 -0.11 0.00 -0.41 0.00 0.00 54.97 52.91 2kwd s GLU 15 Cb 0.00 -1.16 0.02 0.00 -1.78 0.00 0.00 34.13 31.21 2kwd s GLU 15 CO 0.00 0.20 0.25 0.95 -0.49 0.00 0.00 175.26 176.17 2kwd s THR 16 N -2.74 0.05 0.11 3.63 -4.23 0.16 -4.91 115.64 107.71 2kwd s THR 16 Ca 0.21 -0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.25 2kwd s THR 16 Cb -0.02 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 2kwd s THR 16 CO 0.07 -0.21 0.21 -0.89 -0.54 0.00 0.00 174.62 173.25 2kwd s THR 17 N -0.87 0.12 0.02 3.99 2.01 -1.26 0.16 115.64 119.81 2kwd s THR 17 Ca -0.10 -1.29 -0.22 0.00 0.31 0.00 0.00 61.69 60.40 2kwd s THR 17 Cb -0.05 -1.53 0.05 0.00 0.01 0.00 0.00 72.50 70.98 2kwd s THR 17 CO 0.02 -0.55 0.49 0.28 -0.69 0.00 0.00 174.62 174.17 2kwd s THR 18 N -3.90 0.04 -0.28 -0.82 -1.32 -0.90 -4.99 115.64 103.46 2kwd s THR 18 Ca 0.09 -0.29 -0.09 0.00 -1.21 0.00 0.00 61.69 60.19 2kwd s THR 18 Cb 0.05 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 2kwd s THR 18 CO -0.07 -0.16 0.14 -0.70 -2.21 0.00 0.00 174.62 171.62 2kwd s GLU 19 N -2.06 3.69 0.12 7.08 2.56 -1.26 -1.73 118.70 127.10 2kwd s GLU 19 Ca -0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 54.97 54.27 2kwd s GLU 19 Cb -0.01 -3.53 0.03 0.00 2.00 0.00 0.00 34.13 32.62 2kwd s GLU 19 CO 0.01 -0.25 0.36 0.00 -0.56 0.00 0.00 175.26 174.82 2kwd s ALA 20 N 1.68 -0.78 -0.07 6.30 0.00 -0.39 -5.01 121.76 123.48 2kwd s ALA 20 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 2kwd s ALA 20 Cb -0.16 0.64 -0.28 0.00 0.00 0.00 0.00 23.12 23.33 2kwd s ALA 20 CO 0.07 -0.61 0.57 -0.24 0.00 0.00 0.00 175.76 175.55 2kwd h VAL 21 N 2.46 0.83 -3.09 0.00 3.04 -1.98 -2.70 116.25 114.81 2kwd h VAL 21 Ca -0.34 -2.51 -0.63 0.00 -1.01 0.00 0.00 66.70 62.21 2kwd h VAL 21 Cb 1.24 2.62 -0.07 0.00 -2.01 0.00 0.00 31.29 33.07 2kwd h VAL 21 CO 0.49 0.83 -0.57 -0.62 -1.01 0.00 0.00 177.57 176.69 2kwd s ASP 22 N -7.01 5.82 0.06 3.17 2.15 -1.26 -4.85 116.67 114.74 2kwd s ASP 22 Ca -0.16 0.09 -0.17 0.00 0.43 0.00 0.00 52.55 52.74 2kwd s ASP 22 Cb 0.06 -1.65 -0.17 0.00 -0.30 0.00 0.00 42.92 40.86 2kwd s ASP 22 CO 0.82 0.17 1.25 0.00 -0.17 0.00 0.00 175.17 177.24 2kwd h ALA 23 N 3.23 0.22 -0.38 3.66 0.00 -2.00 -3.07 119.26 120.92 2kwd h ALA 23 Ca -0.46 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 53.87 2kwd h ALA 23 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kwd h ALA 23 CO 0.69 0.44 -0.00 0.00 0.00 0.00 0.00 179.25 180.38 2kwd h ALA 24 N 0.49 0.51 -0.15 0.00 0.00 -2.01 -2.80 119.26 115.31 2kwd h ALA 24 Ca -0.04 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2kwd h ALA 24 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kwd h ALA 24 CO 0.11 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.76 2kwd h THR 25 N 0.49 0.85 -0.26 0.00 1.03 -1.98 -0.80 112.91 112.24 2kwd h THR 25 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.40 2kwd h THR 25 Cb 0.47 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 2kwd h THR 25 CO 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 175.52 175.24 2kwd h ALA 26 N 1.91 1.02 -0.01 0.00 0.00 -1.39 -2.78 119.26 118.01 2kwd h ALA 26 Ca 0.07 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2kwd h ALA 26 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kwd h ALA 26 CO -0.00 0.59 -0.47 1.05 0.00 0.00 0.00 179.25 180.41 2kwd h GLU 27 N 0.45 0.03 -0.78 0.00 4.11 -1.06 -2.97 114.58 114.36 2kwd h GLU 27 Ca 0.06 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.54 2kwd h GLU 27 Cb 0.73 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2kwd h GLU 27 CO 0.06 0.50 0.46 0.87 0.07 0.00 0.00 179.01 180.97 2kwd h LYS 28 N 0.03 0.81 0.09 1.06 1.57 -1.22 1.15 116.57 120.05 2kwd h LYS 28 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 0.85 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2kwd h LYS 28 CO 0.06 0.54 -0.04 0.28 -0.57 0.00 0.00 179.45 179.72 2kwd h VAL 29 N 0.83 1.17 -0.52 0.50 2.07 -1.63 -2.17 116.25 116.51 2kwd h VAL 29 Ca 0.35 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2kwd h VAL 29 Cb 0.21 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2kwd h VAL 29 CO -0.19 0.26 0.27 -0.26 0.02 0.00 0.00 177.57 177.67 2kwd h PHE 30 N -0.63 0.72 -0.37 1.57 0.04 -1.30 1.06 116.94 118.04 2kwd h PHE 30 Ca -0.01 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 2kwd h PHE 30 Cb 0.51 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2kwd h PHE 30 CO 0.09 0.54 -0.26 0.87 -0.60 0.00 0.00 178.31 178.95 2kwd h LYS 31 N 0.69 0.83 -0.10 1.51 1.57 0.12 0.12 116.57 121.32 2kwd h LYS 31 Ca 0.18 -0.40 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 2kwd h LYS 31 Cb 0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kwd h LYS 31 CO -0.03 1.04 -0.57 0.37 -0.57 0.00 0.00 179.45 179.69 2kwd h GLN 32 N 0.63 0.31 -0.29 3.15 4.15 -1.24 -3.01 115.11 118.81 2kwd h GLN 32 Ca 0.07 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 2kwd h GLN 32 Cb 0.83 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2kwd h GLN 32 CO 0.07 0.79 -0.35 -0.92 -1.93 0.00 0.00 178.83 176.50 2kwd h TYR 33 N 0.23 0.74 -0.74 3.99 3.20 0.14 -2.94 116.97 121.59 2kwd h TYR 33 Ca -0.00 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 61.71 2kwd h TYR 33 Cb 1.07 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 2kwd h TYR 33 CO 0.03 0.90 0.49 0.00 -1.64 0.00 0.00 178.16 177.93 2kwd h ALA 34 N 1.09 1.58 -0.38 1.82 0.00 -0.62 0.11 119.26 122.85 2kwd h ALA 34 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kwd h ALA 34 Cb 0.85 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2kwd h ALA 34 CO 0.07 0.34 0.14 -0.97 0.00 0.00 0.00 179.25 178.83 2kwd h ASN 35 N 0.89 0.54 0.59 0.00 -1.24 -1.53 0.81 115.58 115.63 2kwd h ASN 35 Ca 0.30 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 2kwd h ASN 35 Cb 0.07 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2kwd h ASN 35 CO -0.09 0.58 -0.08 0.44 -1.29 0.00 0.00 177.43 176.99 2kwd h ASP 36 N 0.47 0.00 0.68 1.15 3.32 -1.26 -2.89 116.42 117.89 2kwd h ASP 36 Ca 0.12 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2kwd h ASP 36 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2kwd h ASP 36 CO -0.01 0.08 -1.45 0.78 -1.72 0.00 0.00 179.24 176.93 2kwd h ASN 37 N 0.00 0.00 0.00 6.45 4.21 -0.07 -3.49 115.58 122.68 2kwd h ASN 37 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kwd h ASN 37 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2kwd h ASN 37 CO 0.01 0.66 0.00 0.61 -1.29 0.00 0.00 177.43 177.42 2kwd n GLY 38 N 1.42 1.96 3.39 2.83 0.00 0.21 -5.01 105.19 109.99 2kwd n GLY 38 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2kwd n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwd s VAL 39 N -2.40 4.84 -0.22 1.61 0.11 -1.13 -4.97 120.40 118.24 2kwd s VAL 39 Ca 0.00 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2kwd s VAL 39 Cb 0.00 -3.77 0.06 0.00 -1.53 0.00 0.00 36.38 31.13 2kwd s VAL 39 CO 0.00 -0.36 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.74 2kwd s ASP 40 N 1.86 3.54 0.00 3.54 -1.08 -1.26 -4.61 116.67 118.66 2kwd s ASP 40 Ca 0.03 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 2kwd s ASP 40 Cb -0.21 -1.06 0.00 0.00 -1.46 0.00 0.00 42.92 40.19 2kwd s ASP 40 CO 0.07 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.14 2kwd n GLY 41 N 4.76 5.04 3.72 2.66 0.00 -1.26 -4.64 105.19 115.46 2kwd n GLY 41 Ca -0.12 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2kwd n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwd s GLU 42 N 1.72 4.46 0.28 1.61 0.41 0.34 -4.60 118.70 122.91 2kwd s GLU 42 Ca 0.00 1.75 0.05 0.00 -0.41 0.00 0.00 54.97 56.35 2kwd s GLU 42 Cb 0.00 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2kwd s GLU 42 CO 0.00 -0.21 0.42 -1.58 -0.49 0.00 0.00 175.26 173.40 2kwd s TRP 43 N 0.91 3.38 0.18 1.61 0.52 -1.26 -0.63 118.94 123.63 2kwd s TRP 43 Ca 0.57 -0.01 -0.19 0.00 0.02 0.00 0.00 56.10 56.49 2kwd s TRP 43 Cb -0.29 -1.72 0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2kwd s TRP 43 CO 0.30 0.28 0.54 -0.08 0.02 0.00 0.00 176.95 178.01 2kwd s THR 44 N -2.08 0.02 -0.24 2.01 -1.32 -1.09 -5.01 115.64 107.92 2kwd s THR 44 Ca 0.38 -0.49 -0.09 0.00 -1.21 0.00 0.00 61.69 60.28 2kwd s THR 44 Cb -0.09 -1.34 0.11 0.00 -1.51 0.00 0.00 72.50 69.67 2kwd s THR 44 CO 0.31 -0.10 0.53 -0.47 -2.21 0.00 0.00 174.62 172.67 2kwd s TYR 45 N -3.82 -1.04 -0.38 9.09 5.04 -1.26 -2.97 117.35 122.01 2kwd s TYR 45 Ca 0.05 1.89 -0.15 0.00 -2.44 0.00 0.00 57.07 56.43 2kwd s TYR 45 Cb -0.01 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.84 2kwd s TYR 45 CO -0.07 -0.56 0.33 0.34 -1.34 0.00 0.00 175.55 174.25 2kwd s ASP 46 N 2.62 6.14 0.02 4.32 -1.08 -0.08 -4.91 116.67 123.68 2kwd s ASP 46 Ca -0.04 -0.56 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 2kwd s ASP 46 Cb -0.11 -2.18 0.92 0.00 -1.46 0.00 0.00 42.92 40.09 2kwd s ASP 46 CO -0.16 -0.40 1.72 -0.67 0.52 0.00 0.00 175.17 176.18 2kwd n ASP 47 N 5.31 0.25 0.19 -0.34 -0.08 -1.26 -1.35 116.55 119.27 2kwd n ASP 47 Ca -0.10 0.23 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 2kwd n ASP 47 Cb 0.48 -0.23 0.13 0.00 2.34 0.00 0.00 41.12 43.84 2kwd n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kwd h ALA 48 N 2.95 0.86 0.00 -1.67 0.00 -1.96 -3.30 119.26 116.12 2kwd h ALA 48 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kwd h ALA 48 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kwd h ALA 48 CO 0.00 0.29 -0.04 0.25 0.00 0.00 0.00 179.25 179.75 2kwd n THR 49 N -3.17 0.68 -4.02 0.00 -2.24 -1.20 -5.02 114.28 99.31 2kwd n THR 49 Ca 0.03 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 2kwd n THR 49 Cb 0.61 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 2kwd n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kwd n LYS 50 N -0.39 -1.87 -4.06 -0.78 4.76 -0.46 -4.80 118.16 110.55 2kwd n LYS 50 Ca 0.02 0.28 -0.21 0.00 -2.87 0.00 0.00 58.31 55.53 2kwd n LYS 50 Cb 0.41 -3.90 -0.17 0.00 -1.84 0.00 0.00 35.03 29.54 2kwd n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kwd s THR 51 N -3.91 0.53 0.22 -0.18 2.01 -0.47 -0.68 115.64 113.16 2kwd s THR 51 Ca 0.16 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2kwd s THR 51 Cb -0.07 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2kwd s THR 51 CO 0.93 0.24 0.13 -0.36 -0.69 0.00 0.00 174.62 174.87 2kwd s PHE 52 N 1.19 3.05 -0.18 4.92 0.40 0.31 -0.91 117.98 126.76 2kwd s PHE 52 Ca -0.07 -0.10 -0.10 0.00 -0.60 0.00 0.00 56.93 56.07 2kwd s PHE 52 Cb -0.14 -1.41 0.06 0.00 0.51 0.00 0.00 43.02 42.04 2kwd s PHE 52 CO -0.01 0.53 0.43 0.95 0.70 0.00 0.00 175.22 177.82 2kwd s THR 53 N -1.99 -0.09 -0.17 0.64 -4.23 -1.16 -0.66 115.64 107.99 2kwd s THR 53 Ca 0.31 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2kwd s THR 53 Cb -0.09 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 2kwd s THR 53 CO 0.23 0.04 -0.09 0.54 -0.54 0.00 0.00 174.62 174.80 2kwd s VAL 54 N 1.55 3.16 -0.14 2.29 0.11 -1.20 -2.69 120.40 123.49 2kwd s VAL 54 Ca -0.09 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2kwd s VAL 54 Cb -0.09 -2.38 0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2kwd s VAL 54 CO -0.13 0.48 -0.14 0.28 -3.33 0.00 0.00 175.10 172.26 2kwd s THR 55 N 0.86 1.55 -1.78 5.04 -1.32 0.19 -3.22 115.64 116.95 2kwd s THR 55 Ca -0.03 -0.62 0.14 0.00 -1.21 0.00 0.00 61.69 59.97 2kwd s THR 55 Cb -0.15 -1.45 0.11 0.00 -1.51 0.00 0.00 72.50 69.50 2kwd s THR 55 CO 0.01 0.45 0.95 -1.84 -2.21 0.00 0.00 174.62 171.98