#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 1.43 0.03 3.17 -0.21 -1.26 -0.85 119.66 121.97 2kwd s GLN 2 Ca 0.00 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 54.72 2kwd s GLN 2 Cb 0.00 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.56 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 -0.53 2.68 -0.13 0.91 2.02 -0.47 -4.78 117.35 117.04 2kwd s TYR 3 Ca 0.07 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 2kwd s TYR 3 Cb -0.07 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2kwd s TYR 3 CO -0.00 0.29 -0.22 0.21 -1.57 0.00 0.00 175.55 174.26 2kwd s LYS 4 N -1.41 3.05 -0.17 -0.62 2.20 -0.24 -1.96 119.74 120.60 2kwd s LYS 4 Ca 0.15 -0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2kwd s LYS 4 Cb -0.11 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2kwd s LYS 4 CO 0.06 0.03 0.00 -1.17 -0.36 0.00 0.00 175.35 173.91 2kwd s LEU 5 N 0.72 3.47 -0.14 5.43 1.98 0.56 0.12 118.68 130.83 2kwd s LEU 5 Ca -0.09 -0.05 -0.11 0.00 -2.89 0.00 0.00 54.13 50.99 2kwd s LEU 5 Cb -0.16 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 44.79 2kwd s LEU 5 CO 0.00 0.17 0.24 -0.63 -1.89 0.00 0.00 176.35 174.24 2kwd s ILE 6 N 0.39 5.34 -0.36 6.68 -1.09 -0.04 0.12 121.20 132.23 2kwd s ILE 6 Ca -0.01 0.43 -0.22 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 37.20 2kwd s ILE 6 CO 0.02 0.48 0.72 -0.76 -1.23 0.00 0.00 174.94 174.16 2kwd s LEU 7 N -0.11 4.20 -0.41 2.97 1.02 -0.67 -3.37 118.68 122.30 2kwd s LEU 7 Ca 0.15 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.56 2kwd s LEU 7 Cb -0.13 -2.91 0.15 0.00 0.02 0.00 0.00 46.19 43.32 2kwd s LEU 7 CO 0.04 -0.67 0.26 0.54 0.02 0.00 0.00 176.35 176.54 2kwd s ASN 8 N 1.83 2.97 0.00 2.29 4.22 -1.19 -3.39 114.94 121.67 2kwd s ASN 8 Ca 0.28 -2.61 0.00 0.00 -2.14 0.00 0.00 52.86 48.39 2kwd s ASN 8 Cb -0.14 -0.68 0.00 0.00 1.28 0.00 0.00 41.25 41.71 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 3.51 6.16 0.39 0.45 0.00 -0.82 -3.74 105.19 111.15 2kwd n GLY 9 Ca 0.15 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.93 0.00 1.61 1.57 -1.96 -3.39 116.57 113.47 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 -0.60 0.00 2.41 -0.57 0.00 0.00 179.45 180.69 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 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 2kwd n THR 11 Cb 0.40 1.48 -0.04 0.00 -1.82 0.00 0.00 70.33 70.35 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 3.94 -0.07 -4.42 1.43 -1.26 -4.99 118.68 113.17 2kwd s LEU 12 Ca 0.00 0.17 -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 43.00 2kwd s LEU 12 CO 0.00 -1.10 0.15 -0.54 0.23 0.00 0.00 176.35 175.10 2kwd s LYS 13 N 3.90 0.12 0.00 1.70 3.01 -1.26 -1.94 119.74 125.26 2kwd s LYS 13 Ca 0.39 0.35 0.00 0.00 -1.01 0.00 0.00 55.97 55.70 2kwd s LYS 13 Cb -0.10 -0.12 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 3.44 -3.33 0.00 -1.22 -4.97 105.19 102.46 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 -0.82 1.60 -0.04 1.61 0.41 -1.26 -1.67 118.70 118.53 2kwd s GLU 15 Ca 0.00 -1.74 -0.06 0.00 -0.41 0.00 0.00 54.97 52.76 2kwd s GLU 15 Cb 0.00 -1.57 0.01 0.00 -1.78 0.00 0.00 34.13 30.79 2kwd s GLU 15 CO 0.00 0.26 0.15 0.95 -0.49 0.00 0.00 175.26 176.13 2kwd s THR 16 N -2.66 0.03 0.07 3.63 -4.23 0.32 -4.89 115.64 107.90 2kwd s THR 16 Ca 0.28 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.49 2kwd s THR 16 Cb -0.03 -0.29 -0.00 0.00 1.34 0.00 0.00 72.50 73.52 2kwd s THR 16 CO 0.13 -0.12 0.18 -0.89 -0.54 0.00 0.00 174.62 173.38 2kwd s THR 17 N -0.38 0.14 0.04 3.99 2.01 -1.26 0.21 115.64 120.39 2kwd s THR 17 Ca -0.05 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.59 2kwd s THR 17 Cb -0.03 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2kwd s THR 17 CO 0.01 -0.63 0.50 0.28 -0.69 0.00 0.00 174.62 174.08 2kwd s THR 18 N -3.53 0.03 -0.26 -0.82 -1.32 -0.83 -5.00 115.64 103.92 2kwd s THR 18 Ca 0.02 -0.28 -0.09 0.00 -1.21 0.00 0.00 61.69 60.13 2kwd s THR 18 Cb 0.03 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2kwd s THR 18 CO -0.09 -0.16 0.13 -0.70 -2.21 0.00 0.00 174.62 171.59 2kwd s GLU 19 N -2.32 3.80 0.13 7.08 2.56 -1.26 -1.37 118.70 127.32 2kwd s GLU 19 Ca -0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 54.97 54.36 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 -0.18 0.38 0.00 -0.56 0.00 0.00 175.26 174.89 2kwd s ALA 20 N 1.69 -0.82 -0.02 6.30 0.00 -0.03 -4.96 121.76 123.92 2kwd s ALA 20 Ca 0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2kwd s ALA 20 Cb -0.16 0.69 -0.32 0.00 0.00 0.00 0.00 23.12 23.33 2kwd s ALA 20 CO 0.07 -0.64 0.83 -0.24 0.00 0.00 0.00 175.76 175.78 2kwd h VAL 21 N 2.40 1.21 -2.93 0.00 3.04 -1.98 -2.65 116.25 115.33 2kwd h VAL 21 Ca -0.33 -2.58 -0.61 0.00 -1.01 0.00 0.00 66.70 62.17 2kwd h VAL 21 Cb 1.25 2.96 -0.07 0.00 -2.01 0.00 0.00 31.29 33.42 2kwd h VAL 21 CO 0.47 0.79 -0.56 -1.81 -1.01 0.00 0.00 177.57 175.44 2kwd s ASP 22 N -7.31 5.71 0.00 3.17 1.01 -1.26 -4.84 116.67 113.15 2kwd s ASP 22 Ca -0.13 0.00 -0.21 0.00 0.71 0.00 0.00 52.55 52.92 2kwd s ASP 22 Cb 0.04 -1.57 -0.20 0.00 1.01 0.00 0.00 42.92 42.20 2kwd s ASP 22 CO 0.87 0.13 1.17 0.00 0.21 0.00 0.00 175.17 177.55 2kwd h ALA 23 N 2.87 0.12 -0.81 5.23 0.00 -2.00 -3.04 119.26 121.62 2kwd h ALA 23 Ca -0.47 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 2kwd h ALA 23 Cb 1.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2kwd h ALA 23 CO 0.66 0.17 0.44 0.00 0.00 0.00 0.00 179.25 180.53 2kwd h ALA 24 N 0.41 1.04 -0.11 0.00 0.00 -2.00 -2.26 119.26 116.35 2kwd h ALA 24 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2kwd h ALA 24 Cb 0.96 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kwd h ALA 24 CO 0.06 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 2kwd h THR 25 N 1.13 1.11 -0.21 0.00 1.03 -1.98 -2.15 112.91 111.83 2kwd h THR 25 Ca 0.29 -0.46 -0.12 0.00 -0.01 0.00 0.00 66.41 66.10 2kwd h THR 25 Cb 0.03 1.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 2kwd h THR 25 CO -0.05 0.15 -0.40 0.00 -0.01 0.00 0.00 175.52 175.21 2kwd h ALA 26 N 1.79 0.92 -0.03 0.00 0.00 -1.30 -3.08 119.26 117.56 2kwd h ALA 26 Ca 0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2kwd h ALA 26 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kwd h ALA 26 CO 0.01 0.63 -0.48 1.05 0.00 0.00 0.00 179.25 180.45 2kwd h GLU 27 N 0.41 0.07 -0.82 0.00 4.11 -1.01 -3.03 114.58 114.31 2kwd h GLU 27 Ca 0.04 -0.04 0.12 0.00 0.07 0.00 0.00 59.36 59.55 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 0.54 0.43 0.87 0.07 0.00 0.00 179.01 180.99 2kwd h LYS 28 N 0.06 0.64 0.10 1.06 1.57 -1.40 1.05 116.57 119.64 2kwd h LYS 28 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kwd h LYS 28 Cb 0.88 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.05 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 1.13 -0.47 0.50 2.07 -1.68 -2.45 116.25 116.01 2kwd h VAL 29 Ca 0.42 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2kwd h VAL 29 Cb 0.52 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2kwd h VAL 29 CO -0.32 0.26 0.21 -0.26 0.02 0.00 0.00 177.57 177.48 2kwd h PHE 30 N -0.67 0.69 -0.23 1.57 0.04 -1.28 0.69 116.94 117.76 2kwd h PHE 30 Ca -0.01 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 2kwd h PHE 30 Cb 0.53 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 2kwd h PHE 30 CO 0.09 0.57 -0.55 0.87 -0.60 0.00 0.00 178.31 178.68 2kwd h LYS 31 N 0.62 0.68 -0.06 1.51 1.57 0.10 0.22 116.57 121.21 2kwd h LYS 31 Ca 0.16 -0.43 -0.17 0.00 -1.87 0.00 0.00 60.65 58.34 2kwd h LYS 31 Cb 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2kwd h LYS 31 CO -0.02 1.05 -0.69 0.37 -0.57 0.00 0.00 179.45 179.59 2kwd h GLN 32 N 0.52 0.27 -0.43 3.15 5.75 -1.35 -3.10 115.11 119.93 2kwd h GLN 32 Ca 0.01 -0.21 -0.14 0.00 -0.15 0.00 0.00 58.65 58.16 2kwd h GLN 32 Cb 1.12 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2kwd h GLN 32 CO 0.11 0.86 -0.28 -0.92 -2.65 0.00 0.00 178.83 175.95 2kwd h TYR 33 N 0.19 1.09 -0.67 3.99 3.20 0.63 -2.59 116.97 122.81 2kwd h TYR 33 Ca -0.02 -0.29 0.02 0.00 3.14 0.00 0.00 58.73 61.58 2kwd h TYR 33 Cb 1.24 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2kwd h TYR 33 CO 0.03 1.10 0.44 0.00 -1.64 0.00 0.00 178.16 178.09 2kwd h ALA 34 N 0.87 1.58 -0.17 1.82 0.00 -0.49 0.24 119.26 123.11 2kwd h ALA 34 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2kwd h ALA 34 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kwd h ALA 34 CO 0.08 0.37 -0.39 -0.97 0.00 0.00 0.00 179.25 178.34 2kwd h ASN 35 N 0.85 0.64 0.56 0.00 -0.73 -1.50 -1.71 115.58 113.69 2kwd h ASN 35 Ca 0.26 -0.57 -0.04 0.00 1.87 0.00 0.00 56.30 57.82 2kwd h ASN 35 Cb -0.02 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 2kwd h ASN 35 CO -0.06 1.09 -0.18 0.44 -0.37 0.00 0.00 177.43 178.35 2kwd h ASP 36 N 0.21 0.00 0.57 1.15 3.32 -0.98 -3.13 116.42 117.56 2kwd h ASP 36 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2kwd h ASP 36 Cb 1.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2kwd h ASP 36 CO 0.09 0.18 -1.55 -0.46 -1.72 0.00 0.00 179.24 175.77 2kwd n ASN 37 N -3.58 0.66 0.00 6.45 6.94 0.78 -5.00 115.26 121.50 2kwd n ASN 37 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 2kwd n ASN 37 Cb 0.32 0.51 0.00 0.00 -2.36 0.00 0.00 39.78 38.25 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 1.74 3.32 4.83 0.00 -0.92 -5.07 105.19 110.49 2kwd n GLY 38 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.29 4.21 -0.22 1.61 0.11 -0.69 -4.93 120.40 119.19 2kwd s VAL 39 Ca 0.00 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2kwd s VAL 39 Cb 0.00 -3.40 0.06 0.00 -1.53 0.00 0.00 36.38 31.51 2kwd s VAL 39 CO 0.00 -0.25 -0.04 1.51 -3.33 0.00 0.00 175.10 172.99 2kwd s ASP 40 N 1.55 3.60 0.00 3.54 1.47 -1.26 -4.22 116.67 121.36 2kwd s ASP 40 Ca 0.01 -1.07 0.00 0.00 1.18 0.00 0.00 52.55 52.67 2kwd s ASP 40 Cb -0.20 -1.06 0.00 0.00 -0.34 0.00 0.00 42.92 41.32 2kwd s ASP 40 CO 0.05 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.27 2kwd n GLY 41 N 4.75 5.02 3.80 2.12 0.00 -1.26 -4.65 105.19 114.97 2kwd n GLY 41 Ca -0.12 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 1.60 3.63 0.03 1.61 0.41 0.29 -4.64 118.70 121.63 2kwd s GLU 42 Ca 0.00 1.35 0.06 0.00 -0.41 0.00 0.00 54.97 55.96 2kwd s GLU 42 Cb 0.00 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.26 2kwd s GLU 42 CO 0.00 -0.57 -0.17 -1.58 -0.49 0.00 0.00 175.26 172.45 2kwd s TRP 43 N -2.08 1.51 0.15 1.61 0.52 -1.26 -0.76 118.94 118.62 2kwd s TRP 43 Ca 0.67 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.50 2kwd s TRP 43 Cb -0.17 -0.92 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 2kwd s TRP 43 CO 0.25 0.04 -0.11 -0.08 0.02 0.00 0.00 176.95 177.07 2kwd s THR 44 N -0.69 1.26 -0.07 2.01 -1.32 -1.09 -5.03 115.64 110.70 2kwd s THR 44 Ca 0.05 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.51 2kwd s THR 44 Cb -0.08 -1.80 0.03 0.00 -1.51 0.00 0.00 72.50 69.15 2kwd s THR 44 CO 0.01 -0.66 0.04 -0.47 -2.21 0.00 0.00 174.62 171.33 2kwd s TYR 45 N -3.04 0.35 -0.46 9.09 5.04 -1.26 -2.83 117.35 124.24 2kwd s TYR 45 Ca 0.16 -0.02 -0.25 0.00 -2.44 0.00 0.00 57.07 54.52 2kwd s TYR 45 Cb 0.01 -0.65 0.03 0.00 0.35 0.00 0.00 41.96 41.69 2kwd s TYR 45 CO 0.02 -0.30 0.89 0.34 -1.34 0.00 0.00 175.55 175.16 2kwd s ASP 46 N 2.08 6.47 0.00 4.32 -1.08 0.72 -4.76 116.67 124.42 2kwd s ASP 46 Ca 0.04 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.34 2kwd s ASP 46 Cb -0.13 -2.43 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 2kwd s ASP 46 CO -0.05 -1.02 1.09 -0.67 0.52 0.00 0.00 175.17 175.04 2kwd n ASP 47 N 7.06 1.50 0.08 -0.34 -0.08 -1.26 0.78 116.55 124.28 2kwd n ASP 47 Ca 0.05 -1.21 -0.05 0.00 -1.51 0.00 0.00 54.79 52.07 2kwd n ASP 47 Cb 0.48 0.61 -0.07 0.00 2.34 0.00 0.00 41.12 44.49 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 3.51 0.46 0.00 -1.67 0.00 -1.95 -3.35 119.26 116.27 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 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kwd h ALA 48 CO 0.00 1.14 0.00 0.25 0.00 0.00 0.00 179.25 180.64 2kwd n THR 49 N -3.41 0.09 -3.30 0.00 -2.24 -1.25 -5.03 114.28 99.14 2kwd n THR 49 Ca -0.00 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 2kwd n THR 49 Cb 0.88 1.41 0.08 0.00 -2.10 0.00 0.00 70.33 70.60 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 -0.05 -4.47 -3.87 -0.78 4.76 0.60 -4.86 118.16 109.49 2kwd n LYS 50 Ca 0.00 0.83 -0.18 0.00 -2.87 0.00 0.00 58.31 56.09 2kwd n LYS 50 Cb 0.20 -5.73 -0.17 0.00 -1.84 0.00 0.00 35.03 27.49 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 -3.36 0.16 0.18 -0.18 2.01 0.23 -1.08 115.64 113.61 2kwd s THR 51 Ca 0.20 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.40 2kwd s THR 51 Cb -0.03 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2kwd s THR 51 CO 0.71 0.17 0.16 -0.36 -0.69 0.00 0.00 174.62 174.61 2kwd s PHE 52 N 1.33 3.17 -0.13 4.92 0.40 0.33 0.26 117.98 128.26 2kwd s PHE 52 Ca -0.05 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 2kwd s PHE 52 Cb -0.13 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 41.95 2kwd s PHE 52 CO -0.02 0.52 0.30 0.95 0.70 0.00 0.00 175.22 177.67 2kwd s THR 53 N -1.82 -0.03 -0.15 0.64 -4.23 -1.13 -0.86 115.64 108.05 2kwd s THR 53 Ca 0.32 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2kwd s THR 53 Cb -0.10 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.27 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 1.31 3.16 -0.13 2.29 0.11 -1.22 -2.68 120.40 123.25 2kwd s VAL 54 Ca -0.09 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 2kwd s VAL 54 Cb -0.10 -2.36 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 2kwd s VAL 54 CO -0.10 0.50 -0.17 0.28 -3.33 0.00 0.00 175.10 172.28 2kwd s THR 55 N 0.60 1.70 -0.64 5.04 -1.32 0.06 -3.15 115.64 117.92 2kwd s THR 55 Ca -0.06 -0.76 0.05 0.00 -1.21 0.00 0.00 61.69 59.71 2kwd s THR 55 Cb -0.15 -1.54 0.04 0.00 -1.51 0.00 0.00 72.50 69.34 2kwd s THR 55 CO 0.03 0.48 0.66 -1.84 -2.21 0.00 0.00 174.62 171.74