#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 1.48 0.24 3.17 -0.21 -1.26 -1.08 119.66 121.99 2kwd s GLN 2 Ca 0.00 -1.05 0.10 0.00 0.02 0.00 0.00 55.36 54.43 2kwd s GLN 2 Cb 0.00 -1.66 -0.04 0.00 1.00 0.00 0.00 33.01 32.30 2kwd s GLN 2 CO 0.00 0.42 -0.10 0.71 -2.12 0.00 0.00 175.29 174.20 2kwd s TYR 3 N -0.86 2.54 -0.13 0.91 1.51 -0.68 -4.83 117.35 115.81 2kwd s TYR 3 Ca 0.09 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2kwd s TYR 3 Cb -0.09 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2kwd s TYR 3 CO 0.02 0.60 -0.21 0.21 -1.11 0.00 0.00 175.55 175.06 2kwd s LYS 4 N -3.27 3.06 -0.17 -0.62 2.20 0.16 -2.18 119.74 118.91 2kwd s LYS 4 Ca 0.28 -0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 2kwd s LYS 4 Cb -0.07 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2kwd s LYS 4 CO 0.16 0.04 0.03 -1.17 -0.36 0.00 0.00 175.35 174.06 2kwd s LEU 5 N 0.69 3.64 -0.15 5.43 1.98 0.57 0.12 118.68 130.95 2kwd s LEU 5 Ca -0.10 0.01 -0.11 0.00 -2.89 0.00 0.00 54.13 51.05 2kwd s LEU 5 Cb -0.16 -1.91 -0.05 0.00 0.66 0.00 0.00 46.19 44.73 2kwd s LEU 5 CO 0.01 0.17 0.21 -0.63 -1.89 0.00 0.00 176.35 174.22 2kwd s ILE 6 N 0.38 5.37 -0.35 6.68 -1.09 -0.23 0.14 121.20 132.09 2kwd s ILE 6 Ca 0.01 0.37 -0.22 0.00 -2.23 0.00 0.00 60.65 58.58 2kwd s ILE 6 Cb -0.13 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2kwd s ILE 6 CO 0.01 0.48 0.70 -0.76 -1.23 0.00 0.00 174.94 174.14 2kwd s LEU 7 N -0.09 4.19 -0.41 2.97 1.02 -0.71 -3.37 118.68 122.29 2kwd s LEU 7 Ca 0.14 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.58 2kwd s LEU 7 Cb -0.12 -2.89 0.14 0.00 0.02 0.00 0.00 46.19 43.34 2kwd s LEU 7 CO 0.03 -0.64 0.25 0.21 0.02 0.00 0.00 176.35 176.22 2kwd s ASN 8 N 1.79 3.12 0.00 2.29 2.47 -1.17 -3.49 114.94 119.95 2kwd s ASN 8 Ca 0.27 -2.56 0.00 0.00 0.42 0.00 0.00 52.86 50.99 2kwd s ASN 8 Cb -0.14 -0.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.94 2kwd s ASN 8 CO 0.15 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 2kwd n GLY 9 N 3.58 6.19 0.39 1.21 0.00 -0.86 -3.68 105.19 112.01 2kwd n GLY 9 Ca 0.13 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.91 0.00 1.61 1.57 -1.96 -3.39 116.57 113.49 2kwd h LYS 10 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2kwd h LYS 10 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kwd h LYS 10 CO 0.00 -0.59 0.00 2.41 -0.57 0.00 0.00 179.45 180.70 2kwd n THR 11 N -5.47 0.00 -2.78 -0.16 -1.04 -1.26 -5.00 114.28 98.57 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 0.39 1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 70.33 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 3.94 -0.06 -4.42 1.43 -1.26 -4.99 118.68 113.15 2kwd s LEU 12 Ca 0.00 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2kwd s LEU 12 Cb 0.00 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 43.00 2kwd s LEU 12 CO 0.00 -1.09 0.15 -0.54 0.23 0.00 0.00 176.35 175.10 2kwd s LYS 13 N 3.88 0.11 0.00 1.70 3.01 -1.26 -2.03 119.74 125.16 2kwd s LYS 13 Ca 0.39 0.34 0.00 0.00 -1.01 0.00 0.00 55.97 55.69 2kwd s LYS 13 Cb -0.10 -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 3.45 -3.33 0.00 -1.23 -4.97 105.19 102.45 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 1.62 0.00 1.61 0.41 -1.26 -1.73 118.70 118.50 2kwd s GLU 15 Ca 0.00 -1.78 -0.10 0.00 -0.41 0.00 0.00 54.97 52.69 2kwd s GLU 15 Cb 0.00 -1.51 0.01 0.00 -1.78 0.00 0.00 34.13 30.85 2kwd s GLU 15 CO 0.00 0.20 0.19 0.95 -0.49 0.00 0.00 175.26 176.11 2kwd s THR 16 N -2.72 0.08 0.11 3.63 -4.23 0.37 -4.89 115.64 107.99 2kwd s THR 16 Ca 0.29 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 60.06 2kwd s THR 16 Cb -0.01 -0.53 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 2kwd s THR 16 CO 0.13 -0.36 0.21 -0.89 -0.54 0.00 0.00 174.62 173.17 2kwd s THR 17 N -1.48 0.13 0.00 3.99 2.01 -1.26 0.21 115.64 119.24 2kwd s THR 17 Ca -0.14 -1.25 -0.23 0.00 0.31 0.00 0.00 61.69 60.39 2kwd s THR 17 Cb -0.06 -1.47 0.05 0.00 0.01 0.00 0.00 72.50 71.02 2kwd s THR 17 CO 0.02 -0.57 0.50 0.28 -0.69 0.00 0.00 174.62 174.16 2kwd s THR 18 N -3.89 0.03 -0.27 -0.82 -1.32 -0.93 -4.96 115.64 103.48 2kwd s THR 18 Ca 0.08 -0.25 -0.08 0.00 -1.21 0.00 0.00 61.69 60.22 2kwd s THR 18 Cb 0.05 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 2kwd s THR 18 CO -0.08 -0.14 0.10 -0.70 -2.21 0.00 0.00 174.62 171.59 2kwd s GLU 19 N -1.77 3.61 0.17 7.08 2.56 -1.26 -1.68 118.70 127.41 2kwd s GLU 19 Ca -0.09 -0.52 -0.16 0.00 0.00 0.00 0.00 54.97 54.20 2kwd s GLU 19 Cb -0.02 -3.42 0.02 0.00 2.00 0.00 0.00 34.13 32.72 2kwd s GLU 19 CO 0.03 -0.25 0.46 0.00 -0.56 0.00 0.00 175.26 174.95 2kwd s ALA 20 N 1.63 -0.79 -0.06 6.30 0.00 -0.24 -5.00 121.76 123.60 2kwd s ALA 20 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2kwd s ALA 20 Cb -0.16 0.81 -0.28 0.00 0.00 0.00 0.00 23.12 23.50 2kwd s ALA 20 CO 0.05 -0.74 0.61 -0.24 0.00 0.00 0.00 175.76 175.44 2kwd h VAL 21 N 2.29 0.87 -3.29 0.00 3.04 -1.98 -2.76 116.25 114.42 2kwd h VAL 21 Ca -0.30 -2.53 -0.65 0.00 -1.01 0.00 0.00 66.70 62.20 2kwd h VAL 21 Cb 1.26 2.65 -0.11 0.00 -2.01 0.00 0.00 31.29 33.08 2kwd h VAL 21 CO 0.41 0.83 -0.64 -0.62 -1.01 0.00 0.00 177.57 176.55 2kwd s ASP 22 N -7.05 5.22 0.02 3.17 2.15 -1.26 -4.85 116.67 114.07 2kwd s ASP 22 Ca -0.16 -0.08 -0.21 0.00 0.43 0.00 0.00 52.55 52.53 2kwd s ASP 22 Cb 0.06 -1.33 -0.16 0.00 -0.30 0.00 0.00 42.92 41.19 2kwd s ASP 22 CO 0.82 0.20 1.29 0.00 -0.17 0.00 0.00 175.17 177.31 2kwd h ALA 23 N 3.58 0.16 -0.89 3.66 0.00 -2.00 -2.80 119.26 120.98 2kwd h ALA 23 Ca -0.48 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 2kwd h ALA 23 Cb 1.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kwd h ALA 23 CO 0.61 0.07 0.54 0.00 0.00 0.00 0.00 179.25 180.47 2kwd h ALA 24 N 0.55 1.13 0.00 0.00 0.00 -2.00 -2.03 119.26 116.91 2kwd h ALA 24 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2kwd h ALA 24 Cb 0.72 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kwd h ALA 24 CO 0.04 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.61 2kwd h THR 25 N 1.22 1.12 -0.23 0.00 1.03 -1.97 -2.54 112.91 111.53 2kwd h THR 25 Ca 0.32 -0.92 -0.12 0.00 -0.01 0.00 0.00 66.41 65.67 2kwd h THR 25 Cb -0.06 1.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 2kwd h THR 25 CO -0.06 0.26 -0.38 0.00 -0.01 0.00 0.00 175.52 175.33 2kwd h ALA 26 N 1.74 0.91 -0.04 0.00 0.00 -1.10 -2.83 119.26 117.94 2kwd h ALA 26 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2kwd h ALA 26 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2kwd h ALA 26 CO 0.03 0.63 -0.37 1.05 0.00 0.00 0.00 179.25 180.59 2kwd h GLU 27 N 0.44 0.07 -0.88 0.00 4.11 -1.03 -2.70 114.58 114.58 2kwd h GLU 27 Ca 0.04 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.56 2kwd h GLU 27 Cb 0.86 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 2kwd h GLU 27 CO 0.07 0.43 0.51 0.87 0.07 0.00 0.00 179.01 180.97 2kwd h LYS 28 N 0.06 0.79 0.11 1.06 1.57 -1.33 1.17 116.57 120.00 2kwd h LYS 28 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 0.68 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2kwd h LYS 28 CO 0.05 0.52 -0.05 0.28 -0.57 0.00 0.00 179.45 179.68 2kwd h VAL 29 N 0.82 1.10 -0.48 0.50 2.07 -1.58 -1.71 116.25 116.96 2kwd h VAL 29 Ca 0.44 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2kwd h VAL 29 Cb 0.46 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2kwd h VAL 29 CO -0.28 0.24 0.22 -0.26 0.02 0.00 0.00 177.57 177.52 2kwd h PHE 30 N -0.66 0.70 -0.09 1.57 0.04 -1.13 1.14 116.94 118.49 2kwd h PHE 30 Ca -0.02 -0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.53 2kwd h PHE 30 Cb 0.51 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 2kwd h PHE 30 CO 0.08 0.56 -0.73 0.87 -0.60 0.00 0.00 178.31 178.49 2kwd h LYS 31 N 0.63 0.46 -0.06 1.51 1.57 0.13 0.19 116.57 121.00 2kwd h LYS 31 Ca 0.16 -0.38 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 2kwd h LYS 31 Cb 0.13 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kwd h LYS 31 CO -0.02 1.01 -0.71 0.37 -0.57 0.00 0.00 179.45 179.53 2kwd h GLN 32 N 0.32 0.30 -0.33 3.15 4.15 -1.18 -3.08 115.11 118.44 2kwd h GLN 32 Ca -0.03 -0.25 -0.14 0.00 0.77 0.00 0.00 58.65 59.00 2kwd h GLN 32 Cb 1.31 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 2kwd h GLN 32 CO 0.13 0.89 -0.35 -0.92 -1.93 0.00 0.00 178.83 176.65 2kwd h TYR 33 N 0.21 0.90 -0.73 3.99 3.20 0.15 -2.95 116.97 121.74 2kwd h TYR 33 Ca -0.02 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.64 2kwd h TYR 33 Cb 1.27 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2kwd h TYR 33 CO 0.03 1.00 0.48 0.00 -1.64 0.00 0.00 178.16 178.04 2kwd h ALA 34 N 0.97 1.61 -0.42 1.82 0.00 -0.53 0.20 119.26 122.91 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 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2kwd h ALA 34 CO 0.08 0.30 0.13 -0.97 0.00 0.00 0.00 179.25 178.79 2kwd h ASN 35 N 0.85 0.61 0.56 0.00 -0.00 -1.51 0.66 115.58 116.76 2kwd h ASN 35 Ca 0.30 -0.20 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 2kwd h ASN 35 Cb 0.12 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.28 2kwd h ASN 35 CO -0.09 0.65 -0.07 0.44 -0.00 0.00 0.00 177.43 178.36 2kwd h ASP 36 N 0.54 0.00 0.54 1.15 3.32 -1.15 -2.63 116.42 118.18 2kwd h ASP 36 Ca 0.14 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 2kwd h ASP 36 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2kwd h ASP 36 CO -0.00 0.07 -1.59 0.59 -1.72 0.00 0.00 179.24 176.59 2kwd n ASN 37 N -3.33 0.64 0.00 6.45 4.13 0.59 -5.01 115.26 118.73 2kwd n ASN 37 Ca -0.01 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.53 2kwd n ASN 37 Cb 0.25 0.52 0.00 0.00 -1.54 0.00 0.00 39.78 39.01 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 1.41 2.66 3.59 7.41 0.00 0.22 -5.00 105.19 115.48 2kwd n GLY 38 Ca -0.11 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.75 4.17 -0.23 1.61 0.11 -1.17 -4.92 120.40 118.23 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 -4.63 0.06 0.00 -1.53 0.00 0.00 36.38 30.28 2kwd s VAL 39 CO 0.00 -1.10 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.01 2kwd s ASP 40 N 2.60 3.71 0.00 3.54 -1.08 -1.26 -4.60 116.67 119.58 2kwd s ASP 40 Ca 0.45 -1.12 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 2kwd s ASP 40 Cb -0.07 -1.10 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 2kwd s ASP 40 CO 0.29 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.35 2kwd n GLY 41 N 4.72 5.02 3.80 2.66 0.00 -1.26 -4.65 105.19 115.48 2kwd n GLY 41 Ca -0.12 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 1.74 3.73 0.04 1.61 0.41 0.29 -4.65 118.70 121.87 2kwd s GLU 42 Ca 0.00 1.38 0.06 0.00 -0.41 0.00 0.00 54.97 56.00 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 -0.50 -0.19 -1.58 -0.49 0.00 0.00 175.26 172.51 2kwd s TRP 43 N -1.99 1.63 0.08 1.61 0.52 -1.26 -0.91 118.94 118.63 2kwd s TRP 43 Ca 0.68 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.46 2kwd s TRP 43 Cb -0.17 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.14 2kwd s TRP 43 CO 0.22 0.07 -0.08 -0.08 0.02 0.00 0.00 176.95 177.09 2kwd s THR 44 N -0.78 0.74 -0.08 2.01 -1.32 -1.11 -5.03 115.64 110.08 2kwd s THR 44 Ca 0.06 -1.60 -0.01 0.00 -1.21 0.00 0.00 61.69 58.92 2kwd s THR 44 Cb -0.08 -1.28 0.03 0.00 -1.51 0.00 0.00 72.50 69.65 2kwd s THR 44 CO 0.01 -0.63 0.00 -0.47 -2.21 0.00 0.00 174.62 171.33 2kwd s TYR 45 N -2.61 0.67 -0.46 9.09 5.04 -1.26 -2.60 117.35 125.22 2kwd s TYR 45 Ca 0.04 -0.19 -0.25 0.00 -2.44 0.00 0.00 57.07 54.23 2kwd s TYR 45 Cb -0.02 -0.81 0.03 0.00 0.35 0.00 0.00 41.96 41.52 2kwd s TYR 45 CO -0.02 -0.34 0.90 0.34 -1.34 0.00 0.00 175.55 175.10 2kwd s ASP 46 N 1.97 6.47 0.00 4.32 -1.08 0.71 -4.76 116.67 124.31 2kwd s ASP 46 Ca 0.05 0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.35 2kwd s ASP 46 Cb -0.12 -2.44 0.09 0.00 -1.46 0.00 0.00 42.92 38.99 2kwd s ASP 46 CO -0.05 -1.04 1.13 -0.67 0.52 0.00 0.00 175.17 175.06 2kwd n ASP 47 N 7.10 1.20 0.08 -0.34 -0.08 -1.26 0.13 116.55 123.39 2kwd n ASP 47 Ca 0.05 -1.00 -0.08 0.00 -1.51 0.00 0.00 54.79 52.26 2kwd n ASP 47 Cb 0.48 0.61 -0.07 0.00 2.34 0.00 0.00 41.12 44.48 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 3.34 0.42 0.00 -1.67 0.00 -1.95 -3.35 119.26 116.05 2kwd h ALA 48 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2kwd h ALA 48 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kwd h ALA 48 CO 0.00 1.10 0.00 0.25 0.00 0.00 0.00 179.25 180.60 2kwd n THR 49 N -3.48 0.14 -3.34 0.00 -2.24 -1.25 -5.03 114.28 99.08 2kwd n THR 49 Ca -0.02 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2kwd n THR 49 Cb 0.89 1.32 0.07 0.00 -2.10 0.00 0.00 70.33 70.51 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 -3.15 -3.78 -0.78 4.76 0.54 -4.83 118.16 110.83 2kwd n LYS 50 Ca 0.00 0.82 -0.18 0.00 -2.87 0.00 0.00 58.31 56.08 2kwd n LYS 50 Cb 0.24 -5.68 -0.17 0.00 -1.84 0.00 0.00 35.03 27.58 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 -3.40 0.05 0.17 -0.18 2.01 0.12 -0.66 115.64 113.74 2kwd s THR 51 Ca 0.35 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.64 2kwd s THR 51 Cb -0.05 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2kwd s THR 51 CO 0.75 0.16 0.14 -0.36 -0.69 0.00 0.00 174.62 174.62 2kwd s PHE 52 N 1.55 3.16 -0.14 4.92 0.40 0.32 0.26 117.98 128.45 2kwd s PHE 52 Ca -0.03 -0.01 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 2kwd s PHE 52 Cb -0.13 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 41.94 2kwd s PHE 52 CO -0.03 0.52 0.33 0.95 0.70 0.00 0.00 175.22 177.69 2kwd s THR 53 N -1.76 -0.09 -0.14 0.64 -4.23 -1.07 -1.06 115.64 107.93 2kwd s THR 53 Ca 0.31 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2kwd s THR 53 Cb -0.10 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 2kwd s THR 53 CO 0.24 0.05 -0.11 0.54 -0.54 0.00 0.00 174.62 174.81 2kwd s VAL 54 N 1.47 3.24 -0.11 2.29 0.11 -1.22 -2.74 120.40 123.44 2kwd s VAL 54 Ca -0.08 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 2kwd s VAL 54 Cb -0.10 -2.38 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 2kwd s VAL 54 CO -0.11 0.51 -0.15 0.28 -3.33 0.00 0.00 175.10 172.30 2kwd s THR 55 N 0.44 1.52 -0.50 5.04 -1.32 -0.08 -3.06 115.64 117.68 2kwd s THR 55 Ca -0.08 -0.65 0.04 0.00 -1.21 0.00 0.00 61.69 59.79 2kwd s THR 55 Cb -0.15 -1.39 0.03 0.00 -1.51 0.00 0.00 72.50 69.48 2kwd s THR 55 CO 0.04 0.45 0.63 -1.84 -2.21 0.00 0.00 174.62 171.68