#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 1.37 0.03 3.17 -0.21 -1.26 -0.90 119.66 121.85 2kwd s GLN 2 Ca 0.00 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.71 2kwd s GLN 2 Cb 0.00 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.61 2kwd s GLN 2 CO 0.00 0.37 -0.15 0.71 -2.12 0.00 0.00 175.29 174.10 2kwd s TYR 3 N -0.56 2.65 -0.13 0.91 2.02 -0.53 -4.77 117.35 116.94 2kwd s TYR 3 Ca 0.06 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2kwd s TYR 3 Cb -0.07 -1.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2kwd s TYR 3 CO 0.00 0.28 -0.22 0.21 -1.57 0.00 0.00 175.55 174.24 2kwd s LYS 4 N -1.38 3.04 -0.17 -0.62 2.20 -0.12 -2.05 119.74 120.64 2kwd s LYS 4 Ca 0.15 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 2kwd s LYS 4 Cb -0.11 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 2kwd s LYS 4 CO 0.06 0.05 0.03 -1.17 -0.36 0.00 0.00 175.35 173.95 2kwd s LEU 5 N 0.67 3.62 -0.15 5.43 1.98 0.52 0.11 118.68 130.86 2kwd s LEU 5 Ca -0.10 0.02 -0.12 0.00 -2.89 0.00 0.00 54.13 51.04 2kwd s LEU 5 Cb -0.16 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 2kwd s LEU 5 CO 0.01 0.18 0.22 -0.63 -1.89 0.00 0.00 176.35 174.25 2kwd s ILE 6 N 0.32 5.35 -0.31 6.68 -1.09 0.38 0.48 121.20 133.02 2kwd s ILE 6 Ca 0.01 0.40 -0.20 0.00 -2.23 0.00 0.00 60.65 58.62 2kwd s ILE 6 Cb -0.13 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2kwd s ILE 6 CO 0.01 0.46 0.64 -0.76 -1.23 0.00 0.00 174.94 174.05 2kwd s LEU 7 N 0.08 4.15 -0.43 2.97 1.02 -0.89 -3.27 118.68 122.31 2kwd s LEU 7 Ca 0.14 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.73 2kwd s LEU 7 Cb -0.12 -2.82 0.15 0.00 0.02 0.00 0.00 46.19 43.41 2kwd s LEU 7 CO 0.03 -0.49 0.28 0.54 0.02 0.00 0.00 176.35 176.73 2kwd s ASN 8 N 1.65 2.91 0.00 2.29 4.22 -1.17 -3.52 114.94 121.32 2kwd s ASN 8 Ca 0.25 -2.74 0.00 0.00 -2.14 0.00 0.00 52.86 48.24 2kwd s ASN 8 Cb -0.15 -0.72 0.00 0.00 1.28 0.00 0.00 41.25 41.66 2kwd s ASN 8 CO 0.12 -0.23 0.00 0.61 -2.04 0.00 0.00 177.10 175.56 2kwd n GLY 9 N 3.34 7.55 0.30 0.45 0.00 -0.59 -3.67 105.19 112.57 2kwd n GLY 9 Ca 0.17 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.68 0.00 1.61 1.57 -1.97 -3.38 116.57 113.72 2kwd h LYS 10 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kwd h LYS 10 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2kwd h LYS 10 CO 0.00 -0.43 0.00 2.41 -0.57 0.00 0.00 179.45 180.86 2kwd n THR 11 N -5.37 0.00 -2.79 -0.16 -1.04 -1.26 -5.00 114.28 98.66 2kwd n THR 11 Ca -0.12 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 2kwd n THR 11 Cb 0.30 1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 70.23 2kwd n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2kwd s LEU 12 N -0.16 3.96 -0.08 -4.42 1.43 -1.26 -4.99 118.68 113.17 2kwd s LEU 12 Ca 0.00 0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2kwd s LEU 12 Cb 0.00 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.99 2kwd s LEU 12 CO 0.00 -0.98 0.17 -0.54 0.23 0.00 0.00 176.35 175.24 2kwd s LYS 13 N 3.69 0.13 0.00 1.70 3.01 -1.26 -1.54 119.74 125.47 2kwd s LYS 13 Ca 0.39 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.75 2kwd s LYS 13 Cb -0.11 -0.15 0.00 0.00 -1.01 0.00 0.00 37.83 36.56 2kwd s LYS 13 CO 0.23 -0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.34 2kwd n GLY 14 N 4.15 -0.64 3.42 -3.33 0.00 -1.23 -4.98 105.19 102.58 2kwd n GLY 14 Ca -0.25 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.02 1.54 -0.07 1.61 0.41 -1.26 -2.09 118.70 117.82 2kwd s GLU 15 Ca 0.00 -1.74 -0.08 0.00 -0.41 0.00 0.00 54.97 52.74 2kwd s GLU 15 Cb 0.00 -1.30 0.02 0.00 -1.78 0.00 0.00 34.13 31.07 2kwd s GLU 15 CO 0.00 0.14 0.21 0.95 -0.49 0.00 0.00 175.26 176.07 2kwd s THR 16 N -2.88 0.01 0.07 3.63 -4.23 0.18 -4.91 115.64 107.51 2kwd s THR 16 Ca 0.28 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.60 2kwd s THR 16 Cb 0.01 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.51 2kwd s THR 16 CO 0.11 -0.05 0.19 -0.89 -0.54 0.00 0.00 174.62 173.44 2kwd s THR 17 N -0.12 0.13 0.04 3.99 2.01 -1.26 0.19 115.64 120.62 2kwd s THR 17 Ca -0.02 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.69 2kwd s THR 17 Cb -0.02 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.37 2kwd s THR 17 CO 0.01 -0.59 0.49 0.28 -0.69 0.00 0.00 174.62 174.11 2kwd s THR 18 N -3.32 0.04 -0.26 -0.82 -1.32 -0.87 -5.00 115.64 104.09 2kwd s THR 18 Ca 0.01 -0.30 -0.09 0.00 -1.21 0.00 0.00 61.69 60.10 2kwd s THR 18 Cb 0.02 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2kwd s THR 18 CO -0.08 -0.16 0.13 -0.70 -2.21 0.00 0.00 174.62 171.60 2kwd s GLU 19 N -2.31 3.84 0.13 7.08 2.56 -1.26 -1.45 118.70 127.29 2kwd s GLU 19 Ca -0.06 -0.38 -0.15 0.00 0.00 0.00 0.00 54.97 54.38 2kwd s GLU 19 Cb -0.01 -3.49 0.03 0.00 2.00 0.00 0.00 34.13 32.66 2kwd s GLU 19 CO -0.01 -0.14 0.38 0.00 -0.56 0.00 0.00 175.26 174.93 2kwd s ALA 20 N 1.57 -0.76 -0.03 6.30 0.00 -0.08 -4.96 121.76 123.79 2kwd s ALA 20 Ca 0.06 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2kwd s ALA 20 Cb -0.15 0.70 -0.32 0.00 0.00 0.00 0.00 23.12 23.35 2kwd s ALA 20 CO 0.07 -0.65 0.78 -0.24 0.00 0.00 0.00 175.76 175.72 2kwd h VAL 21 N 2.41 1.15 -2.99 0.00 3.04 -1.98 -2.60 116.25 115.28 2kwd h VAL 21 Ca -0.33 -2.55 -0.61 0.00 -1.01 0.00 0.00 66.70 62.20 2kwd h VAL 21 Cb 1.25 2.91 -0.09 0.00 -2.01 0.00 0.00 31.29 33.35 2kwd h VAL 21 CO 0.47 0.79 -0.60 -0.62 -1.01 0.00 0.00 177.57 176.60 2kwd s ASP 22 N -7.29 5.37 -0.00 3.17 2.15 -1.26 -4.84 116.67 113.96 2kwd s ASP 22 Ca -0.14 -0.12 -0.22 0.00 0.43 0.00 0.00 52.55 52.50 2kwd s ASP 22 Cb 0.04 -1.37 -0.20 0.00 -0.30 0.00 0.00 42.92 41.09 2kwd s ASP 22 CO 0.86 0.12 1.16 0.00 -0.17 0.00 0.00 175.17 177.14 2kwd h ALA 23 N 2.91 0.11 -0.87 3.66 0.00 -2.00 -3.00 119.26 120.07 2kwd h ALA 23 Ca -0.47 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.01 2kwd h ALA 23 Cb 1.18 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2kwd h ALA 23 CO 0.63 0.17 0.57 0.00 0.00 0.00 0.00 179.25 180.62 2kwd h ALA 24 N 0.40 1.41 -0.05 0.00 0.00 -2.00 -1.82 119.26 117.20 2kwd h ALA 24 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kwd h ALA 24 Cb 0.98 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kwd h ALA 24 CO 0.06 0.53 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 2kwd h THR 25 N 1.14 1.26 -0.22 0.00 1.03 -1.98 -2.72 112.91 111.41 2kwd h THR 25 Ca 0.33 -1.22 -0.13 0.00 -0.01 0.00 0.00 66.41 65.39 2kwd h THR 25 Cb -0.08 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 2kwd h THR 25 CO -0.08 0.35 -0.39 0.00 -0.01 0.00 0.00 175.52 175.39 2kwd h ALA 26 N 1.59 0.91 0.00 0.00 0.00 -1.20 -2.98 119.26 117.58 2kwd h ALA 26 Ca 0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2kwd h ALA 26 Cb 0.63 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kwd h ALA 26 CO 0.05 0.63 -0.49 1.05 0.00 0.00 0.00 179.25 180.48 2kwd h GLU 27 N 0.42 0.00 -0.73 0.00 4.11 -1.14 -3.04 114.58 114.21 2kwd h GLU 27 Ca 0.04 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.58 2kwd h GLU 27 Cb 0.87 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 2kwd h GLU 27 CO 0.07 0.49 0.34 0.87 0.07 0.00 0.00 179.01 180.85 2kwd h LYS 28 N 0.00 0.53 0.09 1.06 1.57 -1.34 0.99 116.57 119.47 2kwd h LYS 28 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kwd h LYS 28 Cb 0.87 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2kwd h LYS 28 CO 0.06 0.35 -0.04 0.28 -0.57 0.00 0.00 179.45 179.53 2kwd h VAL 29 N 0.55 1.15 -0.47 0.50 2.07 -1.67 -2.44 116.25 115.94 2kwd h VAL 29 Ca 0.38 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 2kwd h VAL 29 Cb 0.47 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2kwd h VAL 29 CO -0.32 0.26 0.22 -0.26 0.02 0.00 0.00 177.57 177.49 2kwd h PHE 30 N -0.65 0.68 -0.20 1.57 0.04 -1.31 0.75 116.94 117.82 2kwd h PHE 30 Ca -0.01 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 2kwd h PHE 30 Cb 0.52 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 2kwd h PHE 30 CO 0.09 0.55 -0.57 0.87 -0.60 0.00 0.00 178.31 178.65 2kwd h LYS 31 N 0.62 0.64 -0.06 1.51 1.57 0.89 0.27 116.57 122.01 2kwd h LYS 31 Ca 0.16 -0.41 -0.16 0.00 -1.87 0.00 0.00 60.65 58.36 2kwd h LYS 31 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2kwd h LYS 31 CO -0.02 1.03 -0.69 0.37 -0.57 0.00 0.00 179.45 179.57 2kwd h GLN 32 N 0.48 0.26 -0.34 3.15 4.15 -1.33 -3.11 115.11 118.38 2kwd h GLN 32 Ca 0.00 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.05 2kwd h GLN 32 Cb 1.14 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 2kwd h GLN 32 CO 0.11 0.85 -0.45 -0.92 -1.93 0.00 0.00 178.83 176.49 2kwd h TYR 33 N 0.18 1.07 -0.65 3.99 3.20 0.77 -2.69 116.97 122.83 2kwd h TYR 33 Ca -0.02 -0.34 0.02 0.00 3.14 0.00 0.00 58.73 61.52 2kwd h TYR 33 Cb 1.23 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2kwd h TYR 33 CO 0.03 1.16 0.43 0.00 -1.64 0.00 0.00 178.16 178.14 2kwd h ALA 34 N 0.78 1.57 -0.12 1.82 0.00 -0.40 0.28 119.26 123.20 2kwd h ALA 34 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kwd h ALA 34 Cb 1.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kwd h ALA 34 CO 0.10 0.38 -0.31 -0.97 0.00 0.00 0.00 179.25 178.45 2kwd h ASN 35 N 0.85 0.48 0.52 0.00 -1.24 -1.50 -0.30 115.58 114.38 2kwd h ASN 35 Ca 0.25 -0.59 -0.05 0.00 0.71 0.00 0.00 56.30 56.62 2kwd h ASN 35 Cb -0.03 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 2kwd h ASN 35 CO -0.06 0.98 -0.23 0.44 -1.29 0.00 0.00 177.43 177.27 2kwd h ASP 36 N 0.00 0.00 0.73 1.15 3.32 -1.07 -3.16 116.42 117.39 2kwd h ASP 36 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2kwd h ASP 36 Cb 0.92 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 2kwd h ASP 36 CO 0.07 0.23 -1.38 -0.46 -1.72 0.00 0.00 179.24 175.97 2kwd n ASN 37 N -3.70 0.87 0.00 6.45 6.94 0.95 -4.99 115.26 121.77 2kwd n ASN 37 Ca -0.01 0.38 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 2kwd n ASN 37 Cb 0.34 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2kwd n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kwd n GLY 38 N 1.38 0.86 3.04 4.83 0.00 -1.01 -5.07 105.19 109.22 2kwd n GLY 38 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.21 2.08 -0.22 1.61 0.11 -0.15 -4.86 120.40 117.76 2kwd s VAL 39 Ca 0.00 -1.65 -0.00 0.00 -2.93 0.00 0.00 61.98 57.40 2kwd s VAL 39 Cb 0.00 -2.25 0.06 0.00 -1.53 0.00 0.00 36.38 32.66 2kwd s VAL 39 CO 0.00 -0.10 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.01 2kwd s ASP 40 N 1.13 3.61 0.00 3.54 -1.08 -1.25 -4.07 116.67 118.54 2kwd s ASP 40 Ca -0.06 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.89 2kwd s ASP 40 Cb -0.20 -1.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.21 2kwd s ASP 40 CO -0.06 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.00 2kwd n GLY 41 N 4.76 5.09 3.80 2.66 0.00 -1.26 -4.65 105.19 115.59 2kwd n GLY 41 Ca -0.11 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 1.69 3.64 0.03 1.61 2.02 0.29 -4.65 118.70 123.33 2kwd s GLU 42 Ca 0.00 1.33 0.05 0.00 0.02 0.00 0.00 54.97 56.37 2kwd s GLU 42 Cb 0.00 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 2kwd s GLU 42 CO 0.00 -0.56 -0.14 -1.58 0.02 0.00 0.00 175.26 173.00 2kwd s TRP 43 N -2.10 1.21 0.19 1.61 0.52 -1.26 -0.90 118.94 118.21 2kwd s TRP 43 Ca 0.67 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2kwd s TRP 43 Cb -0.17 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.37 2kwd s TRP 43 CO 0.25 0.02 -0.08 -0.08 0.02 0.00 0.00 176.95 177.09 2kwd s THR 44 N -0.73 1.26 -0.08 2.01 -1.32 -1.12 -5.03 115.64 110.63 2kwd s THR 44 Ca 0.02 -2.08 -0.03 0.00 -1.21 0.00 0.00 61.69 58.39 2kwd s THR 44 Cb -0.07 -2.07 0.04 0.00 -1.51 0.00 0.00 72.50 68.89 2kwd s THR 44 CO 0.01 -0.57 0.11 -0.47 -2.21 0.00 0.00 174.62 171.49 2kwd s TYR 45 N -3.27 -0.04 -0.45 9.09 5.04 -1.26 -3.07 117.35 123.37 2kwd s TYR 45 Ca 0.22 0.35 -0.24 0.00 -2.44 0.00 0.00 57.07 54.96 2kwd s TYR 45 Cb 0.03 -0.40 0.03 0.00 0.35 0.00 0.00 41.96 41.96 2kwd s TYR 45 CO 0.05 -0.27 0.86 0.34 -1.34 0.00 0.00 175.55 175.18 2kwd s ASP 46 N 2.23 6.46 0.00 4.32 -1.08 0.65 -4.77 116.67 124.48 2kwd s ASP 46 Ca 0.04 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.31 2kwd s ASP 46 Cb -0.13 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 2kwd s ASP 46 CO -0.05 -0.98 1.09 -0.67 0.52 0.00 0.00 175.17 175.07 2kwd n ASP 47 N 6.95 1.65 0.08 -0.34 -0.08 -1.26 0.86 116.55 124.40 2kwd n ASP 47 Ca 0.04 -1.30 -0.05 0.00 -1.51 0.00 0.00 54.79 51.97 2kwd n ASP 47 Cb 0.48 0.58 -0.06 0.00 2.34 0.00 0.00 41.12 44.46 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 3.62 0.46 0.00 -1.67 0.00 -1.95 -3.34 119.26 116.38 2kwd h ALA 48 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2kwd h ALA 48 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kwd h ALA 48 CO 0.00 1.11 0.00 0.25 0.00 0.00 0.00 179.25 180.61 2kwd n THR 49 N -3.39 0.12 -3.35 0.00 -2.24 -1.25 -5.03 114.28 99.14 2kwd n THR 49 Ca 0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 2kwd n THR 49 Cb 0.87 1.36 0.08 0.00 -2.10 0.00 0.00 70.33 70.55 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 -0.06 -4.60 -3.92 -0.78 4.76 0.52 -4.85 118.16 109.24 2kwd n LYS 50 Ca 0.00 0.85 -0.19 0.00 -2.87 0.00 0.00 58.31 56.10 2kwd n LYS 50 Cb 0.22 -5.84 -0.17 0.00 -1.84 0.00 0.00 35.03 27.41 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 -3.38 0.28 0.16 -0.18 2.01 0.25 -0.95 115.64 113.84 2kwd s THR 51 Ca 0.21 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.34 2kwd s THR 51 Cb -0.03 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 2kwd s THR 51 CO 0.74 0.19 0.14 -0.36 -0.69 0.00 0.00 174.62 174.64 2kwd s PHE 52 N 1.32 3.15 -0.12 4.92 0.40 0.30 0.24 117.98 128.20 2kwd s PHE 52 Ca -0.05 -0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2kwd s PHE 52 Cb -0.13 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 41.93 2kwd s PHE 52 CO -0.02 0.52 0.27 0.95 0.70 0.00 0.00 175.22 177.63 2kwd s THR 53 N -1.74 -0.10 -0.15 0.64 -4.23 -1.18 -0.47 115.64 108.42 2kwd s THR 53 Ca 0.31 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2kwd s THR 53 Cb -0.10 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 2kwd s THR 53 CO 0.23 0.07 -0.11 0.54 -0.54 0.00 0.00 174.62 174.81 2kwd s VAL 54 N 1.47 3.11 -0.11 2.29 0.11 -1.20 -2.80 120.40 123.26 2kwd s VAL 54 Ca -0.08 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2kwd s VAL 54 Cb -0.10 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.43 2kwd s VAL 54 CO -0.09 0.51 -0.17 0.28 -3.33 0.00 0.00 175.10 172.30 2kwd s THR 55 N 0.55 1.61 -0.91 5.04 -1.32 -0.08 -3.05 115.64 117.48 2kwd s THR 55 Ca -0.07 -0.71 0.07 0.00 -1.21 0.00 0.00 61.69 59.77 2kwd s THR 55 Cb -0.15 -1.46 0.06 0.00 -1.51 0.00 0.00 72.50 69.44 2kwd s THR 55 CO 0.03 0.46 0.73 -1.84 -2.21 0.00 0.00 174.62 171.80