#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 1.44 0.11 3.17 -0.21 -1.26 -0.50 119.66 122.40 2kwd s GLN 2 Ca 0.00 -0.66 0.08 0.00 0.02 0.00 0.00 55.36 54.80 2kwd s GLN 2 Cb 0.00 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.57 2kwd s GLN 2 CO 0.00 0.38 -0.14 0.71 -2.12 0.00 0.00 175.29 174.12 2kwd s TYR 3 N -0.45 2.65 -0.11 0.91 1.51 -0.61 -4.80 117.35 116.45 2kwd s TYR 3 Ca 0.07 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2kwd s TYR 3 Cb -0.07 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 2kwd s TYR 3 CO -0.01 0.41 -0.21 0.21 -1.11 0.00 0.00 175.55 174.84 2kwd s LYS 4 N -2.16 2.83 -0.16 -0.62 2.20 0.05 -2.14 119.74 119.74 2kwd s LYS 4 Ca 0.20 -0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 2kwd s LYS 4 Cb -0.11 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2kwd s LYS 4 CO 0.12 0.06 0.00 -1.17 -0.36 0.00 0.00 175.35 174.00 2kwd s LEU 5 N 0.64 3.49 -0.16 5.43 1.98 0.56 -0.34 118.68 130.28 2kwd s LEU 5 Ca -0.12 -0.02 -0.11 0.00 -2.89 0.00 0.00 54.13 50.99 2kwd s LEU 5 Cb -0.16 -1.85 -0.05 0.00 0.66 0.00 0.00 46.19 44.79 2kwd s LEU 5 CO 0.03 0.20 0.21 -0.63 -1.89 0.00 0.00 176.35 174.27 2kwd s ILE 6 N 0.20 5.36 -0.30 6.68 -1.09 -0.46 0.13 121.20 131.72 2kwd s ILE 6 Ca 0.00 0.37 -0.20 0.00 -2.23 0.00 0.00 60.65 58.59 2kwd s ILE 6 Cb -0.13 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2kwd s ILE 6 CO 0.02 0.47 0.63 -0.76 -1.23 0.00 0.00 174.94 174.07 2kwd s LEU 7 N 0.03 4.14 -0.42 2.97 1.02 -0.67 -3.35 118.68 122.40 2kwd s LEU 7 Ca 0.14 0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.76 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 0.02 -0.47 0.28 0.21 0.02 0.00 0.00 176.35 176.40 2kwd s ASN 8 N 1.63 2.95 0.00 2.29 2.47 -1.16 -3.36 114.94 119.76 2kwd s ASN 8 Ca 0.25 -2.69 0.00 0.00 0.42 0.00 0.00 52.86 50.85 2kwd s ASN 8 Cb -0.15 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.94 2kwd s ASN 8 CO 0.12 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.86 2kwd n GLY 9 N 3.41 7.33 0.16 1.21 0.00 -0.48 -3.64 105.19 113.18 2kwd n GLY 9 Ca 0.16 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.31 0.00 1.61 1.57 -1.90 -3.39 116.57 114.15 2kwd h LYS 10 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kwd h LYS 10 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kwd h LYS 10 CO 0.00 -0.06 0.00 2.41 -0.57 0.00 0.00 179.45 181.23 2kwd n THR 11 N -5.14 0.00 -2.80 -0.16 -1.04 -1.26 -5.01 114.28 98.87 2kwd n THR 11 Ca -0.09 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 2kwd n THR 11 Cb 0.22 1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 70.04 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 -0.33 3.99 -0.08 -4.42 1.43 -1.26 -4.99 118.68 113.01 2kwd s LEU 12 Ca 0.00 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 2kwd s LEU 12 Cb 0.00 -3.25 0.04 0.00 0.03 0.00 0.00 46.19 43.01 2kwd s LEU 12 CO 0.00 -0.91 0.18 -0.54 0.23 0.00 0.00 176.35 175.32 2kwd s LYS 13 N 3.56 0.13 0.00 1.70 3.01 -1.26 -1.39 119.74 125.49 2kwd s LYS 13 Ca 0.38 0.42 0.00 0.00 -1.01 0.00 0.00 55.97 55.76 2kwd s LYS 13 Cb -0.11 -0.15 0.00 0.00 -1.01 0.00 0.00 37.83 36.55 2kwd s LYS 13 CO 0.21 -0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.31 2kwd n GLY 14 N 4.19 -0.64 3.40 -3.33 0.00 -1.21 -4.97 105.19 102.62 2kwd n GLY 14 Ca -0.26 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.05 1.49 -0.05 1.61 0.41 -1.26 -1.67 118.70 118.18 2kwd s GLU 15 Ca 0.00 -1.73 -0.08 0.00 -0.41 0.00 0.00 54.97 52.75 2kwd s GLU 15 Cb 0.00 -1.15 0.02 0.00 -1.78 0.00 0.00 34.13 31.22 2kwd s GLU 15 CO 0.00 0.09 0.21 0.95 -0.49 0.00 0.00 175.26 176.01 2kwd s THR 16 N -3.00 0.03 0.07 3.63 -4.23 0.34 -4.89 115.64 107.59 2kwd s THR 16 Ca 0.27 -0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 2kwd s THR 16 Cb 0.02 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2kwd s THR 16 CO 0.10 -0.14 0.20 -0.89 -0.54 0.00 0.00 174.62 173.35 2kwd s THR 17 N -0.49 0.13 0.03 3.99 2.01 -1.26 0.21 115.64 120.25 2kwd s THR 17 Ca -0.06 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 60.68 2kwd s THR 17 Cb -0.04 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.36 2kwd s THR 17 CO 0.01 -0.58 0.49 0.28 -0.69 0.00 0.00 174.62 174.14 2kwd s THR 18 N -3.33 0.03 -0.27 -0.82 -1.32 -0.91 -5.00 115.64 104.02 2kwd s THR 18 Ca 0.01 -0.28 -0.09 0.00 -1.21 0.00 0.00 61.69 60.11 2kwd s THR 18 Cb 0.02 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 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 -2.17 3.76 0.15 7.08 2.56 -1.26 -1.57 118.70 127.25 2kwd s GLU 19 Ca -0.07 -0.43 -0.15 0.00 0.00 0.00 0.00 54.97 54.32 2kwd s GLU 19 Cb -0.01 -3.49 0.03 0.00 2.00 0.00 0.00 34.13 32.65 2kwd s GLU 19 CO 0.00 -0.20 0.42 0.00 -0.56 0.00 0.00 175.26 174.92 2kwd s ALA 20 N 1.68 -0.81 -0.02 6.30 0.00 0.34 -4.95 121.76 124.29 2kwd s ALA 20 Ca 0.07 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2kwd s ALA 20 Cb -0.16 0.76 -0.33 0.00 0.00 0.00 0.00 23.12 23.39 2kwd s ALA 20 CO 0.07 -0.69 0.85 -0.24 0.00 0.00 0.00 175.76 175.76 2kwd h VAL 21 N 2.34 1.27 -2.99 0.00 3.04 -1.98 -2.38 116.25 115.54 2kwd h VAL 21 Ca -0.32 -2.58 -0.61 0.00 -1.01 0.00 0.00 66.70 62.18 2kwd h VAL 21 Cb 1.25 3.01 -0.10 0.00 -2.01 0.00 0.00 31.29 33.45 2kwd h VAL 21 CO 0.44 0.77 -0.62 -1.81 -1.01 0.00 0.00 177.57 175.35 2kwd s ASP 22 N -7.28 5.20 -0.00 3.17 1.01 -1.26 -4.81 116.67 112.69 2kwd s ASP 22 Ca -0.13 -0.19 -0.22 0.00 0.71 0.00 0.00 52.55 52.72 2kwd s ASP 22 Cb 0.03 -1.27 -0.20 0.00 1.01 0.00 0.00 42.92 42.49 2kwd s ASP 22 CO 0.87 0.12 1.17 0.00 0.21 0.00 0.00 175.17 177.54 2kwd h ALA 23 N 2.89 0.12 -0.92 5.23 0.00 -2.00 -2.90 119.26 121.68 2kwd h ALA 23 Ca -0.47 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.04 2kwd h ALA 23 Cb 1.19 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2kwd h ALA 23 CO 0.61 0.16 0.60 0.00 0.00 0.00 0.00 179.25 180.62 2kwd h ALA 24 N 0.41 1.43 -0.07 0.00 0.00 -1.99 -1.17 119.26 117.86 2kwd h ALA 24 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2kwd h ALA 24 Cb 0.95 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kwd h ALA 24 CO 0.06 0.48 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 2kwd h THR 25 N 1.14 1.27 -0.20 0.00 1.03 -1.98 -2.77 112.91 111.41 2kwd h THR 25 Ca 0.37 -1.30 -0.14 0.00 -0.01 0.00 0.00 66.41 65.33 2kwd h THR 25 Cb 0.04 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.72 2kwd h THR 25 CO -0.12 0.38 -0.45 0.00 -0.01 0.00 0.00 175.52 175.33 2kwd h ALA 26 N 1.53 0.85 0.00 0.00 0.00 -1.04 -3.11 119.26 117.49 2kwd h ALA 26 Ca 0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2kwd h ALA 26 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kwd h ALA 26 CO 0.05 0.65 -0.53 1.05 0.00 0.00 0.00 179.25 180.47 2kwd h GLU 27 N 0.40 0.00 -0.82 0.00 4.11 -1.02 -3.07 114.58 114.18 2kwd h GLU 27 Ca 0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.58 2kwd h GLU 27 Cb 0.95 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 2kwd h GLU 27 CO 0.08 0.53 0.43 0.87 0.07 0.00 0.00 179.01 181.00 2kwd h LYS 28 N 0.00 0.64 0.11 1.06 1.57 -1.43 0.97 116.57 119.49 2kwd h LYS 28 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 0.97 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2kwd h LYS 28 CO 0.07 0.42 -0.05 0.28 -0.57 0.00 0.00 179.45 179.60 2kwd h VAL 29 N 0.66 1.08 -0.53 0.50 2.07 -1.69 -2.55 116.25 115.80 2kwd h VAL 29 Ca 0.43 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2kwd h VAL 29 Cb 0.54 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2kwd h VAL 29 CO -0.32 0.25 0.28 -0.26 0.02 0.00 0.00 177.57 177.53 2kwd h PHE 30 N -0.68 0.75 -0.25 1.57 0.04 -1.30 0.86 116.94 117.91 2kwd h PHE 30 Ca -0.02 -0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.56 2kwd h PHE 30 Cb 0.52 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2kwd h PHE 30 CO 0.08 0.56 -0.53 0.87 -0.60 0.00 0.00 178.31 178.70 2kwd h LYS 31 N 0.71 0.74 -0.05 1.51 1.57 0.84 0.11 116.57 122.00 2kwd h LYS 31 Ca 0.19 -0.46 -0.18 0.00 -1.87 0.00 0.00 60.65 58.33 2kwd h LYS 31 Cb 0.08 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2kwd h LYS 31 CO -0.03 1.09 -0.74 0.37 -0.57 0.00 0.00 179.45 179.57 2kwd h GLN 32 N 0.57 0.29 -0.47 3.15 5.75 -1.35 -3.14 115.11 119.92 2kwd h GLN 32 Ca 0.02 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.15 2kwd h GLN 32 Cb 1.11 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 2kwd h GLN 32 CO 0.11 0.91 -0.18 -0.92 -2.65 0.00 0.00 178.83 176.10 2kwd h TYR 33 N 0.19 1.04 -0.62 3.99 3.20 0.94 -2.55 116.97 123.16 2kwd h TYR 33 Ca -0.03 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.63 2kwd h TYR 33 Cb 1.31 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 2kwd h TYR 33 CO 0.03 1.02 0.41 0.00 -1.64 0.00 0.00 178.16 177.98 2kwd h ALA 34 N 0.98 1.63 -0.13 1.82 0.00 -0.73 0.13 119.26 122.95 2kwd h ALA 34 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2kwd h ALA 34 Cb 0.72 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kwd h ALA 34 CO 0.06 0.32 -0.39 -0.97 0.00 0.00 0.00 179.25 178.27 2kwd h ASN 35 N 0.77 0.57 0.49 0.00 -0.73 -1.52 -0.35 115.58 114.81 2kwd h ASN 35 Ca 0.24 -0.59 -0.04 0.00 1.87 0.00 0.00 56.30 57.77 2kwd h ASN 35 Cb 0.02 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2kwd h ASN 35 CO -0.06 1.06 -0.21 0.44 -0.37 0.00 0.00 177.43 178.29 2kwd h ASP 36 N 0.10 0.00 0.62 1.15 3.32 -0.98 -3.14 116.42 117.49 2kwd h ASP 36 Ca -0.01 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2kwd h ASP 36 Cb 1.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2kwd h ASP 36 CO 0.08 0.21 -1.50 -0.46 -1.72 0.00 0.00 179.24 175.85 2kwd n ASN 37 N -3.70 0.75 0.00 6.45 6.94 0.38 -5.00 115.26 121.08 2kwd n ASN 37 Ca -0.01 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.87 2kwd n ASN 37 Cb 0.33 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 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 1.40 0.73 3.03 4.83 0.00 -1.00 -5.07 105.19 109.11 2kwd n GLY 38 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 2.01 -0.22 1.61 0.11 -0.18 -4.87 120.40 117.59 2kwd s VAL 39 Ca 0.00 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 2kwd s VAL 39 Cb 0.00 -2.17 0.06 0.00 -1.53 0.00 0.00 36.38 32.74 2kwd s VAL 39 CO 0.00 -0.07 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.04 2kwd s ASP 40 N 1.17 3.59 0.00 3.54 2.15 -1.26 -4.11 116.67 121.75 2kwd s ASP 40 Ca -0.07 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.84 2kwd s ASP 40 Cb -0.20 -1.06 0.00 0.00 -0.30 0.00 0.00 42.92 41.37 2kwd s ASP 40 CO -0.06 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 2kwd n GLY 41 N 4.75 5.04 3.80 2.66 0.00 -1.26 -4.65 105.19 115.53 2kwd n GLY 41 Ca -0.12 -1.15 -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 1.64 3.68 0.03 1.61 0.41 0.25 -4.63 118.70 121.69 2kwd s GLU 42 Ca 0.00 1.36 0.06 0.00 -0.41 0.00 0.00 54.97 55.98 2kwd s GLU 42 Cb 0.00 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.25 2kwd s GLU 42 CO 0.00 -0.54 -0.17 -1.58 -0.49 0.00 0.00 175.26 172.49 2kwd s TRP 43 N -2.03 1.48 0.06 1.61 0.52 -1.26 -0.84 118.94 118.47 2kwd s TRP 43 Ca 0.67 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.49 2kwd s TRP 43 Cb -0.17 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 2kwd s TRP 43 CO 0.23 0.04 -0.12 -0.08 0.02 0.00 0.00 176.95 177.05 2kwd s THR 44 N -0.72 0.89 -0.15 2.01 -1.32 -1.09 -5.01 115.64 110.24 2kwd s THR 44 Ca 0.05 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2kwd s THR 44 Cb -0.08 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2kwd s THR 44 CO 0.01 -0.25 -0.10 -0.47 -2.21 0.00 0.00 174.62 171.60 2kwd s TYR 45 N -1.24 1.91 -0.48 9.09 5.04 -1.26 -2.22 117.35 128.19 2kwd s TYR 45 Ca -0.04 -1.11 -0.25 0.00 -2.44 0.00 0.00 57.07 53.22 2kwd s TYR 45 Cb -0.10 -1.44 0.03 0.00 0.35 0.00 0.00 41.96 40.81 2kwd s TYR 45 CO 0.01 -0.63 0.92 0.34 -1.34 0.00 0.00 175.55 174.86 2kwd s ASP 46 N 1.57 6.46 0.00 4.32 -1.08 0.63 -4.75 116.67 123.82 2kwd s ASP 46 Ca 0.03 0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 2kwd s ASP 46 Cb -0.14 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 2kwd s ASP 46 CO -0.09 -1.08 1.08 -0.67 0.52 0.00 0.00 175.17 174.93 2kwd n ASP 47 N 7.20 1.07 0.09 -0.34 -0.08 -1.26 0.10 116.55 123.34 2kwd n ASP 47 Ca 0.05 -0.92 -0.04 0.00 -1.51 0.00 0.00 54.79 52.37 2kwd n ASP 47 Cb 0.48 0.71 -0.02 0.00 2.34 0.00 0.00 41.12 44.63 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 3.19 0.55 0.00 -1.67 0.00 -1.94 -3.34 119.26 116.05 2kwd h ALA 48 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2kwd h ALA 48 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kwd h ALA 48 CO 0.00 1.03 0.00 0.25 0.00 0.00 0.00 179.25 180.53 2kwd n THR 49 N -3.43 0.13 -3.33 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 0.83 1.34 0.07 0.00 -2.10 0.00 0.00 70.33 70.46 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 -0.07 -3.46 -3.69 -0.78 4.76 0.64 -4.84 118.16 110.72 2kwd n LYS 50 Ca 0.00 0.84 -0.14 0.00 -2.87 0.00 0.00 58.31 56.15 2kwd n LYS 50 Cb 0.24 -5.76 -0.14 0.00 -1.84 0.00 0.00 35.03 27.53 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 -3.39 -0.23 0.28 -0.18 2.01 0.29 -0.77 115.64 113.64 2kwd s THR 51 Ca 0.32 0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.65 2kwd s THR 51 Cb -0.05 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2kwd s THR 51 CO 0.74 0.10 0.07 -0.36 -0.69 0.00 0.00 174.62 174.49 2kwd s PHE 52 N 1.88 2.80 -0.04 4.92 0.40 0.53 0.23 117.98 128.70 2kwd s PHE 52 Ca -0.03 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2kwd s PHE 52 Cb -0.11 -1.33 0.03 0.00 0.51 0.00 0.00 43.02 42.11 2kwd s PHE 52 CO -0.08 0.54 0.10 0.95 0.70 0.00 0.00 175.22 177.43 2kwd s THR 53 N -2.29 -0.03 -0.15 0.64 -4.23 -0.94 -1.35 115.64 107.27 2kwd s THR 53 Ca 0.33 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 2kwd s THR 53 Cb -0.06 -0.17 -0.01 0.00 1.34 0.00 0.00 72.50 73.60 2kwd s THR 53 CO 0.22 0.05 -0.10 0.54 -0.54 0.00 0.00 174.62 174.79 2kwd s VAL 54 N 0.72 3.25 -0.12 2.29 0.11 -1.21 -2.68 120.40 122.76 2kwd s VAL 54 Ca -0.06 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2kwd s VAL 54 Cb -0.08 -2.40 0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2kwd s VAL 54 CO -0.03 0.50 -0.15 0.28 -3.33 0.00 0.00 175.10 172.36 2kwd s THR 55 N 0.61 1.55 -0.68 5.04 -1.32 -0.02 -3.00 115.64 117.82 2kwd s THR 55 Ca -0.06 -0.66 0.05 0.00 -1.21 0.00 0.00 61.69 59.82 2kwd s THR 55 Cb -0.15 -1.42 0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2kwd s THR 55 CO 0.03 0.45 0.67 -1.84 -2.21 0.00 0.00 174.62 171.72