#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 1.38 0.16 3.17 -0.21 -1.26 -0.66 119.66 122.24 2kwd s GLN 2 Ca 0.00 -0.61 0.09 0.00 0.02 0.00 0.00 55.36 54.86 2kwd s GLN 2 Cb 0.00 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 2kwd s GLN 2 CO 0.00 0.37 -0.12 0.71 -2.12 0.00 0.00 175.29 174.12 2kwd s TYR 3 N -0.40 2.59 -0.13 0.91 1.51 -0.52 -4.82 117.35 116.50 2kwd s TYR 3 Ca 0.07 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2kwd s TYR 3 Cb -0.07 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2kwd s TYR 3 CO -0.01 0.48 -0.22 0.21 -1.11 0.00 0.00 175.55 174.90 2kwd s LYS 4 N -2.65 3.05 -0.17 -0.62 2.20 0.10 -1.99 119.74 119.67 2kwd s LYS 4 Ca 0.23 -0.86 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2kwd s LYS 4 Cb -0.09 -2.40 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 2kwd s LYS 4 CO 0.14 0.06 0.00 -1.17 -0.36 0.00 0.00 175.35 174.02 2kwd s LEU 5 N 0.64 3.48 -0.15 5.43 1.98 0.54 0.12 118.68 130.72 2kwd s LEU 5 Ca -0.11 -0.04 -0.11 0.00 -2.89 0.00 0.00 54.13 50.98 2kwd s LEU 5 Cb -0.16 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 44.78 2kwd s LEU 5 CO 0.02 0.17 0.20 -0.63 -1.89 0.00 0.00 176.35 174.23 2kwd s ILE 6 N 0.36 5.37 -0.37 6.68 -1.09 -0.15 0.13 121.20 132.13 2kwd s ILE 6 Ca -0.01 0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 58.55 2kwd s ILE 6 Cb -0.13 -3.52 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2kwd s ILE 6 CO 0.02 0.48 0.70 -0.76 -1.23 0.00 0.00 174.94 174.15 2kwd s LEU 7 N -0.09 4.22 -0.41 2.97 1.02 -0.72 -3.37 118.68 122.30 2kwd s LEU 7 Ca 0.14 0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.49 2kwd s LEU 7 Cb -0.12 -2.88 0.15 0.00 0.02 0.00 0.00 46.19 43.35 2kwd s LEU 7 CO 0.03 -0.68 0.26 0.54 0.02 0.00 0.00 176.35 176.52 2kwd s ASN 8 N 1.84 3.01 0.00 2.29 4.22 -1.19 -3.45 114.94 121.66 2kwd s ASN 8 Ca 0.27 -2.59 0.00 0.00 -2.14 0.00 0.00 52.86 48.40 2kwd s ASN 8 Cb -0.14 -0.69 0.00 0.00 1.28 0.00 0.00 41.25 41.70 2kwd s ASN 8 CO 0.16 -0.26 0.00 0.61 -2.04 0.00 0.00 177.10 175.58 2kwd n GLY 9 N 3.54 6.15 0.43 0.45 0.00 -0.88 -3.77 105.19 111.11 2kwd n GLY 9 Ca 0.15 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.03 0.00 1.61 1.57 -1.96 -3.39 116.57 113.38 2kwd h LYS 10 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2kwd h LYS 10 Cb 0.00 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2kwd h LYS 10 CO 0.00 -0.67 0.00 2.41 -0.57 0.00 0.00 179.45 180.62 2kwd n THR 11 N -5.53 0.00 -2.76 -0.16 -1.04 -1.26 -5.00 114.28 98.53 2kwd n THR 11 Ca -0.14 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 2kwd n THR 11 Cb 0.43 1.48 -0.04 0.00 -1.82 0.00 0.00 70.33 70.39 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 -0.14 3.90 -0.06 -4.42 1.43 -1.26 -4.99 118.68 113.14 2kwd s LEU 12 Ca 0.00 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 2kwd s LEU 12 Cb 0.00 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2kwd s LEU 12 CO 0.00 -1.12 0.15 -0.54 0.23 0.00 0.00 176.35 175.06 2kwd s LYS 13 N 3.97 0.11 0.00 1.70 3.01 -1.26 -2.07 119.74 125.21 2kwd s LYS 13 Ca 0.40 0.34 0.00 0.00 -1.01 0.00 0.00 55.97 55.70 2kwd s LYS 13 Cb -0.09 -0.13 0.00 0.00 -1.01 0.00 0.00 37.83 36.60 2kwd s LYS 13 CO 0.27 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.41 2kwd n GLY 14 N 3.97 -0.63 3.46 -3.33 0.00 -1.22 -4.97 105.19 102.47 2kwd n GLY 14 Ca -0.24 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.84 1.63 -0.01 1.61 0.41 -1.26 -1.76 118.70 118.48 2kwd s GLU 15 Ca 0.00 -1.79 -0.09 0.00 -0.41 0.00 0.00 54.97 52.68 2kwd s GLU 15 Cb 0.00 -1.50 0.01 0.00 -1.78 0.00 0.00 34.13 30.86 2kwd s GLU 15 CO 0.00 0.18 0.19 0.95 -0.49 0.00 0.00 175.26 176.09 2kwd s THR 16 N -2.73 0.06 0.09 3.63 -4.23 0.34 -4.89 115.64 107.91 2kwd s THR 16 Ca 0.29 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2kwd s THR 16 Cb -0.00 -0.46 -0.00 0.00 1.34 0.00 0.00 72.50 73.38 2kwd s THR 16 CO 0.13 -0.29 0.18 -0.89 -0.54 0.00 0.00 174.62 173.21 2kwd s THR 17 N -1.15 0.14 0.01 3.99 2.01 -1.26 0.20 115.64 119.59 2kwd s THR 17 Ca -0.12 -1.22 -0.22 0.00 0.31 0.00 0.00 61.69 60.43 2kwd s THR 17 Cb -0.06 -1.38 0.05 0.00 0.01 0.00 0.00 72.50 71.12 2kwd s THR 17 CO 0.02 -0.65 0.50 0.28 -0.69 0.00 0.00 174.62 174.08 2kwd s THR 18 N -3.87 0.03 -0.27 -0.82 -1.32 -0.84 -4.97 115.64 103.58 2kwd s THR 18 Ca 0.06 -0.27 -0.09 0.00 -1.21 0.00 0.00 61.69 60.18 2kwd s THR 18 Cb 0.05 -0.90 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2kwd s THR 18 CO -0.10 -0.15 0.11 -0.70 -2.21 0.00 0.00 174.62 171.57 2kwd s GLU 19 N -1.93 3.65 0.16 7.08 2.56 -1.26 -1.43 118.70 127.53 2kwd s GLU 19 Ca -0.08 -0.49 -0.16 0.00 0.00 0.00 0.00 54.97 54.24 2kwd s GLU 19 Cb -0.01 -3.45 0.03 0.00 2.00 0.00 0.00 34.13 32.69 2kwd s GLU 19 CO 0.02 -0.24 0.44 0.00 -0.56 0.00 0.00 175.26 174.92 2kwd s ALA 20 N 1.65 -0.81 -0.05 6.30 0.00 0.17 -4.96 121.76 124.06 2kwd s ALA 20 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 2kwd s ALA 20 Cb -0.16 0.78 -0.31 0.00 0.00 0.00 0.00 23.12 23.44 2kwd s ALA 20 CO 0.06 -0.71 0.73 -0.24 0.00 0.00 0.00 175.76 175.59 2kwd h VAL 21 N 2.32 1.11 -3.09 0.00 3.04 -1.98 -2.48 116.25 115.17 2kwd h VAL 21 Ca -0.31 -2.51 -0.62 0.00 -1.01 0.00 0.00 66.70 62.24 2kwd h VAL 21 Cb 1.25 2.86 -0.10 0.00 -2.01 0.00 0.00 31.29 33.30 2kwd h VAL 21 CO 0.43 0.78 -0.62 -0.62 -1.01 0.00 0.00 177.57 176.53 2kwd s ASP 22 N -7.23 5.22 0.00 3.17 2.15 -1.26 -4.84 116.67 113.89 2kwd s ASP 22 Ca -0.16 -0.16 -0.21 0.00 0.43 0.00 0.00 52.55 52.45 2kwd s ASP 22 Cb 0.04 -1.29 -0.20 0.00 -0.30 0.00 0.00 42.92 41.17 2kwd s ASP 22 CO 0.84 0.14 1.18 0.00 -0.17 0.00 0.00 175.17 177.16 2kwd h ALA 23 N 3.05 0.12 -0.84 3.66 0.00 -2.00 -2.82 119.26 120.43 2kwd h ALA 23 Ca -0.47 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.04 2kwd h ALA 23 Cb 1.18 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2kwd h ALA 23 CO 0.62 0.16 0.55 0.00 0.00 0.00 0.00 179.25 180.58 2kwd h ALA 24 N 0.42 1.49 0.00 0.00 0.00 -2.00 -1.12 119.26 118.05 2kwd h ALA 24 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2kwd h ALA 24 Cb 0.94 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kwd h ALA 24 CO 0.06 0.42 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 2kwd h THR 25 N 1.03 1.29 -0.23 0.00 1.03 -1.97 -2.86 112.91 111.19 2kwd h THR 25 Ca 0.34 -1.58 -0.13 0.00 -0.01 0.00 0.00 66.41 65.04 2kwd h THR 25 Cb 0.06 1.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.99 2kwd h THR 25 CO -0.10 0.45 -0.38 0.00 -0.01 0.00 0.00 175.52 175.47 2kwd h ALA 26 N 1.55 0.91 -0.04 0.00 0.00 -0.97 -2.92 119.26 117.78 2kwd h ALA 26 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2kwd h ALA 26 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kwd h ALA 26 CO 0.06 0.63 -0.45 1.05 0.00 0.00 0.00 179.25 180.54 2kwd h GLU 27 N 0.43 0.10 -0.93 0.00 4.11 -1.15 -2.80 114.58 114.34 2kwd h GLU 27 Ca 0.04 -0.05 0.13 0.00 0.07 0.00 0.00 59.36 59.55 2kwd h GLU 27 Cb 0.87 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 2kwd h GLU 27 CO 0.07 0.53 0.56 0.87 0.07 0.00 0.00 179.01 181.11 2kwd h LYS 28 N 0.08 0.83 0.12 1.06 1.57 -1.34 1.18 116.57 120.06 2kwd h LYS 28 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 0.83 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2kwd h LYS 28 CO 0.06 0.55 -0.06 0.28 -0.57 0.00 0.00 179.45 179.72 2kwd h VAL 29 N 0.85 1.08 -0.47 0.50 2.07 -1.60 -2.09 116.25 116.59 2kwd h VAL 29 Ca 0.48 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2kwd h VAL 29 Cb 0.53 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2kwd h VAL 29 CO -0.29 0.25 0.19 -0.26 0.02 0.00 0.00 177.57 177.48 2kwd h PHE 30 N -0.69 0.72 -0.16 1.57 0.04 -1.11 0.86 116.94 118.16 2kwd h PHE 30 Ca -0.02 -0.05 -0.18 0.00 2.80 0.00 0.00 57.97 60.52 2kwd h PHE 30 Cb 0.53 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 2kwd h PHE 30 CO 0.09 0.60 -0.64 0.87 -0.60 0.00 0.00 178.31 178.63 2kwd h LYS 31 N 0.62 0.58 -0.06 1.51 1.57 0.13 0.98 116.57 121.91 2kwd h LYS 31 Ca 0.16 -0.42 -0.17 0.00 -1.87 0.00 0.00 60.65 58.35 2kwd h LYS 31 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2kwd h LYS 31 CO -0.01 1.04 -0.71 0.37 -0.57 0.00 0.00 179.45 179.56 2kwd h GLN 32 N 0.43 0.29 -0.24 3.15 4.15 -1.28 -3.01 115.11 118.60 2kwd h GLN 32 Ca -0.01 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.06 2kwd h GLN 32 Cb 1.22 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2kwd h GLN 32 CO 0.12 0.88 -0.30 -0.92 -1.93 0.00 0.00 178.83 176.68 2kwd h TYR 33 N 0.20 0.55 -0.72 3.99 3.20 0.97 -2.81 116.97 122.35 2kwd h TYR 33 Ca -0.02 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.76 2kwd h TYR 33 Cb 1.27 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 2kwd h TYR 33 CO 0.03 0.73 0.48 0.00 -1.64 0.00 0.00 178.16 177.76 2kwd h ALA 34 N 1.26 1.60 -0.39 1.82 0.00 -0.66 0.15 119.26 123.04 2kwd h ALA 34 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kwd h ALA 34 Cb 0.74 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kwd h ALA 34 CO 0.06 0.31 0.18 -0.97 0.00 0.00 0.00 179.25 178.83 2kwd h ASN 35 N 0.85 0.53 0.58 0.00 -1.24 -1.54 0.78 115.58 115.54 2kwd h ASN 35 Ca 0.29 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2kwd h ASN 35 Cb 0.10 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 2kwd h ASN 35 CO -0.09 0.52 -0.07 0.44 -1.29 0.00 0.00 177.43 176.94 2kwd h ASP 36 N 0.50 0.00 0.48 1.15 3.32 -1.24 -2.75 116.42 117.88 2kwd h ASP 36 Ca 0.13 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 2kwd h ASP 36 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2kwd h ASP 36 CO -0.01 0.07 -1.67 0.59 -1.72 0.00 0.00 179.24 176.50 2kwd n ASN 37 N -3.32 0.60 0.00 6.45 4.13 0.40 -5.01 115.26 118.51 2kwd n ASN 37 Ca -0.01 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.52 2kwd n ASN 37 Cb 0.25 0.53 0.00 0.00 -1.54 0.00 0.00 39.78 39.02 2kwd n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kwd n GLY 38 N 1.45 2.73 3.59 7.41 0.00 0.26 -5.01 105.19 115.63 2kwd n GLY 38 Ca -0.13 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.57 4.14 -0.23 1.61 0.11 -1.19 -4.92 120.40 118.35 2kwd s VAL 39 Ca 0.00 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.12 2kwd s VAL 39 Cb 0.00 -4.65 0.06 0.00 -1.53 0.00 0.00 36.38 30.26 2kwd s VAL 39 CO 0.00 -1.14 -0.04 -0.62 -3.33 0.00 0.00 175.10 169.97 2kwd s ASP 40 N 2.66 3.66 0.00 3.54 2.15 -1.26 -4.65 116.67 122.78 2kwd s ASP 40 Ca 0.46 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 52.34 2kwd s ASP 40 Cb -0.07 -1.08 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2kwd s ASP 40 CO 0.29 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.66 2kwd n GLY 41 N 4.74 4.97 3.80 2.66 0.00 -1.26 -4.65 105.19 115.45 2kwd n GLY 41 Ca -0.12 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 1.76 3.70 0.03 1.61 0.41 0.32 -4.63 118.70 121.90 2kwd s GLU 42 Ca 0.00 1.37 0.06 0.00 -0.41 0.00 0.00 54.97 55.99 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 -0.52 -0.18 -1.58 -0.49 0.00 0.00 175.26 172.49 2kwd s TRP 43 N -2.01 1.58 0.14 1.61 0.52 -1.26 -0.64 118.94 118.88 2kwd s TRP 43 Ca 0.67 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.49 2kwd s TRP 43 Cb -0.17 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.15 2kwd s TRP 43 CO 0.23 0.05 -0.11 -0.08 0.02 0.00 0.00 176.95 177.06 2kwd s THR 44 N -0.72 1.16 -0.06 2.01 -1.32 -1.09 -5.03 115.64 110.60 2kwd s THR 44 Ca 0.06 -1.98 -0.02 0.00 -1.21 0.00 0.00 61.69 58.54 2kwd s THR 44 Cb -0.08 -1.76 0.03 0.00 -1.51 0.00 0.00 72.50 69.18 2kwd s THR 44 CO 0.01 -0.69 0.04 -0.47 -2.21 0.00 0.00 174.62 171.30 2kwd s TYR 45 N -3.10 0.25 -0.46 9.09 5.04 -1.26 -2.83 117.35 124.08 2kwd s TYR 45 Ca 0.15 0.09 -0.25 0.00 -2.44 0.00 0.00 57.07 54.62 2kwd s TYR 45 Cb 0.01 -0.59 0.03 0.00 0.35 0.00 0.00 41.96 41.76 2kwd s TYR 45 CO 0.01 -0.25 0.88 0.34 -1.34 0.00 0.00 175.55 175.18 2kwd s ASP 46 N 2.11 6.46 0.00 4.32 -1.08 0.61 -4.77 116.67 124.33 2kwd s ASP 46 Ca 0.05 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.33 2kwd s ASP 46 Cb -0.12 -2.43 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 2kwd s ASP 46 CO -0.04 -1.02 1.15 -0.67 0.52 0.00 0.00 175.17 175.12 2kwd n ASP 47 N 7.04 1.12 0.08 -0.34 -0.08 -1.26 0.06 116.55 123.16 2kwd n ASP 47 Ca 0.05 -0.92 -0.06 0.00 -1.51 0.00 0.00 54.79 52.34 2kwd n ASP 47 Cb 0.48 0.59 -0.07 0.00 2.34 0.00 0.00 41.12 44.47 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 3.29 0.46 0.00 -1.67 0.00 -1.95 -3.35 119.26 116.04 2kwd h ALA 48 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2kwd h ALA 48 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kwd h ALA 48 CO 0.00 1.15 0.00 0.25 0.00 0.00 0.00 179.25 180.65 2kwd n THR 49 N -3.45 0.07 -3.33 0.00 -2.24 -1.25 -5.03 114.28 99.05 2kwd n THR 49 Ca -0.01 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 2kwd n THR 49 Cb 0.88 1.47 0.08 0.00 -2.10 0.00 0.00 70.33 70.66 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 -0.04 -4.26 -3.93 -0.78 4.76 0.80 -4.85 118.16 109.86 2kwd n LYS 50 Ca 0.00 0.86 -0.20 0.00 -2.87 0.00 0.00 58.31 56.10 2kwd n LYS 50 Cb 0.21 -5.84 -0.17 0.00 -1.84 0.00 0.00 35.03 27.38 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 0.36 0.18 -0.18 2.01 0.11 -0.72 115.64 114.02 2kwd s THR 51 Ca 0.25 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.34 2kwd s THR 51 Cb -0.03 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2kwd s THR 51 CO 0.73 0.22 0.16 -0.36 -0.69 0.00 0.00 174.62 174.68 2kwd s PHE 52 N 1.39 3.17 -0.15 4.92 0.40 0.33 0.23 117.98 128.26 2kwd s PHE 52 Ca -0.04 -0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 2kwd s PHE 52 Cb -0.13 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 41.95 2kwd s PHE 52 CO -0.03 0.52 0.35 0.95 0.70 0.00 0.00 175.22 177.72 2kwd s THR 53 N -1.82 -0.06 -0.15 0.64 -4.23 -1.13 -0.98 115.64 107.91 2kwd s THR 53 Ca 0.31 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2kwd s THR 53 Cb -0.10 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.20 2kwd s THR 53 CO 0.24 0.05 -0.10 0.54 -0.54 0.00 0.00 174.62 174.81 2kwd s VAL 54 N 1.41 3.23 -0.12 2.29 0.11 -1.22 -2.65 120.40 123.45 2kwd s VAL 54 Ca -0.09 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2kwd s VAL 54 Cb -0.09 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.38 2kwd s VAL 54 CO -0.11 0.50 -0.17 0.28 -3.33 0.00 0.00 175.10 172.27 2kwd s THR 55 N 0.57 1.62 -0.68 5.04 -1.32 0.19 -3.19 115.64 117.87 2kwd s THR 55 Ca -0.07 -0.71 0.05 0.00 -1.21 0.00 0.00 61.69 59.76 2kwd s THR 55 Cb -0.15 -1.47 0.04 0.00 -1.51 0.00 0.00 72.50 69.41 2kwd s THR 55 CO 0.03 0.47 0.67 -1.84 -2.21 0.00 0.00 174.62 171.74