#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 2.28 -0.07 3.17 -0.21 -1.26 -1.84 119.66 121.73 2kwd s GLN 2 Ca 0.00 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.56 2kwd s GLN 2 Cb 0.00 -2.00 -0.02 0.00 1.00 0.00 0.00 33.01 31.98 2kwd s GLN 2 CO 0.00 0.40 -0.15 0.71 -2.12 0.00 0.00 175.29 174.13 2kwd s TYR 3 N -0.25 2.71 -0.11 0.91 2.02 -0.62 -4.71 117.35 117.30 2kwd s TYR 3 Ca -0.00 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2kwd s TYR 3 Cb -0.12 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 2kwd s TYR 3 CO 0.02 0.08 -0.20 0.21 -1.57 0.00 0.00 175.55 174.09 2kwd s LYS 4 N -0.48 2.73 -0.14 -0.62 2.20 -0.13 -1.88 119.74 121.42 2kwd s LYS 4 Ca 0.06 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.89 2kwd s LYS 4 Cb -0.12 -2.16 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 2kwd s LYS 4 CO 0.02 0.06 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.82 2kwd s LEU 5 N 0.65 3.08 -0.14 5.43 1.98 0.56 0.15 118.68 130.40 2kwd s LEU 5 Ca -0.12 -0.18 -0.12 0.00 -2.89 0.00 0.00 54.13 50.82 2kwd s LEU 5 Cb -0.16 -1.72 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 2kwd s LEU 5 CO 0.03 0.18 0.24 -0.63 -1.89 0.00 0.00 176.35 174.28 2kwd s ILE 6 N 0.29 5.34 -0.35 6.68 -1.09 -0.02 0.83 121.20 132.88 2kwd s ILE 6 Ca -0.05 0.44 -0.22 0.00 -2.23 0.00 0.00 60.65 58.58 2kwd s ILE 6 Cb -0.15 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2kwd s ILE 6 CO 0.04 0.47 0.72 -0.76 -1.23 0.00 0.00 174.94 174.18 2kwd s LEU 7 N -0.03 4.17 -0.43 2.97 1.02 -0.79 -3.24 118.68 122.36 2kwd s LEU 7 Ca 0.15 0.31 0.02 0.00 0.02 0.00 0.00 54.13 54.63 2kwd s LEU 7 Cb -0.13 -2.93 0.14 0.00 0.02 0.00 0.00 46.19 43.30 2kwd s LEU 7 CO 0.04 -0.66 0.26 0.21 0.02 0.00 0.00 176.35 176.22 2kwd s ASN 8 N 1.79 3.17 0.00 2.29 2.47 -1.15 -3.53 114.94 119.98 2kwd s ASN 8 Ca 0.29 -2.64 0.00 0.00 0.42 0.00 0.00 52.86 50.93 2kwd s ASN 8 Cb -0.14 -0.78 0.00 0.00 -1.45 0.00 0.00 41.25 38.88 2kwd s ASN 8 CO 0.15 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 2kwd n GLY 9 N 3.49 6.62 0.30 1.21 0.00 -0.81 -3.61 105.19 112.39 2kwd n GLY 9 Ca 0.14 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.69 0.00 1.61 1.57 -1.89 -3.39 116.57 113.78 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 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kwd h LYS 10 CO 0.00 -0.41 0.00 2.41 -0.57 0.00 0.00 179.45 180.88 2kwd n THR 11 N -5.35 0.00 -2.79 -0.16 -1.04 -1.26 -5.00 114.28 98.67 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 0.32 1.45 -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 -0.18 3.96 -0.07 -4.42 1.43 -1.26 -4.99 118.68 113.15 2kwd s LEU 12 Ca 0.00 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 2kwd s LEU 12 Cb 0.00 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 43.02 2kwd s LEU 12 CO 0.00 -1.08 0.16 -0.54 0.23 0.00 0.00 176.35 175.12 2kwd s LYS 13 N 3.85 0.12 0.00 1.70 3.01 -1.26 -1.92 119.74 125.25 2kwd s LYS 13 Ca 0.38 0.36 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 0.00 175.35 176.40 2kwd n GLY 14 N 3.98 -0.63 3.40 -3.33 0.00 -1.23 -4.97 105.19 102.42 2kwd n GLY 14 Ca -0.24 -0.60 -0.22 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 -0.79 1.49 -0.04 1.61 0.41 -1.26 -1.89 118.70 118.23 2kwd s GLU 15 Ca 0.00 -1.63 -0.04 0.00 -0.41 0.00 0.00 54.97 52.89 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 0.28 0.11 0.95 -0.49 0.00 0.00 175.26 176.11 2kwd s THR 16 N -2.50 0.00 0.06 3.63 -4.23 0.24 -4.91 115.64 107.94 2kwd s THR 16 Ca 0.24 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2kwd s THR 16 Cb -0.04 -0.16 -0.00 0.00 1.34 0.00 0.00 72.50 73.64 2kwd s THR 16 CO 0.11 -0.01 0.16 -0.89 -0.54 0.00 0.00 174.62 173.45 2kwd s THR 17 N 0.03 0.13 0.04 3.99 2.01 -1.26 0.21 115.64 120.79 2kwd s THR 17 Ca -0.00 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 60.67 2kwd s THR 17 Cb -0.01 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.43 2kwd s THR 17 CO 0.00 -0.61 0.51 0.28 -0.69 0.00 0.00 174.62 174.11 2kwd s THR 18 N -3.18 0.03 -0.27 -0.82 -1.32 -0.79 -5.01 115.64 104.29 2kwd s THR 18 Ca -0.00 -0.27 -0.09 0.00 -1.21 0.00 0.00 61.69 60.12 2kwd s THR 18 Cb 0.02 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 2kwd s THR 18 CO -0.07 -0.15 0.14 -0.70 -2.21 0.00 0.00 174.62 171.63 2kwd s GLU 19 N -2.36 3.80 0.12 7.08 2.56 -1.26 -1.58 118.70 127.06 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 -3.51 0.03 0.00 2.00 0.00 0.00 34.13 32.64 2kwd s GLU 19 CO -0.01 -0.19 0.37 0.00 -0.56 0.00 0.00 175.26 174.87 2kwd s ALA 20 N 1.69 -0.80 -0.00 6.30 0.00 -0.77 -4.96 121.76 123.23 2kwd s ALA 20 Ca 0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2kwd s ALA 20 Cb -0.16 0.67 -0.34 0.00 0.00 0.00 0.00 23.12 23.30 2kwd s ALA 20 CO 0.08 -0.63 0.93 -0.24 0.00 0.00 0.00 175.76 175.90 2kwd h VAL 21 N 2.42 1.32 -2.82 0.00 3.04 -1.98 -2.74 116.25 115.49 2kwd h VAL 21 Ca -0.34 -2.63 -0.59 0.00 -1.01 0.00 0.00 66.70 62.14 2kwd h VAL 21 Cb 1.25 3.07 -0.07 0.00 -2.01 0.00 0.00 31.29 33.53 2kwd h VAL 21 CO 0.48 0.78 -0.56 -0.62 -1.01 0.00 0.00 177.57 176.64 2kwd s ASP 22 N -7.37 5.61 0.01 3.17 2.15 -1.26 -4.83 116.67 114.15 2kwd s ASP 22 Ca -0.11 -0.06 -0.21 0.00 0.43 0.00 0.00 52.55 52.59 2kwd s ASP 22 Cb 0.03 -1.50 -0.19 0.00 -0.30 0.00 0.00 42.92 40.95 2kwd s ASP 22 CO 0.90 0.10 1.19 0.00 -0.17 0.00 0.00 175.17 177.19 2kwd h ALA 23 N 2.62 0.13 -0.51 3.66 0.00 -2.00 -3.11 119.26 120.06 2kwd h ALA 23 Ca -0.47 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 2kwd h ALA 23 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kwd h ALA 23 CO 0.65 0.18 0.15 0.00 0.00 0.00 0.00 179.25 180.22 2kwd h ALA 24 N 0.43 0.67 -0.57 0.00 0.00 -2.00 -2.62 119.26 115.17 2kwd h ALA 24 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kwd h ALA 24 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2kwd h ALA 24 CO 0.06 0.34 0.38 0.00 0.00 0.00 0.00 179.25 180.03 2kwd h THR 25 N 0.70 1.00 -0.21 0.00 1.03 -1.98 -1.42 112.91 112.03 2kwd h THR 25 Ca 0.16 -0.19 -0.13 0.00 -0.01 0.00 0.00 66.41 66.24 2kwd h THR 25 Cb 0.30 0.40 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 2kwd h THR 25 CO -0.00 0.10 -0.41 0.00 -0.01 0.00 0.00 175.52 175.20 2kwd h ALA 26 N 1.69 0.89 -0.01 0.00 0.00 -1.42 -3.07 119.26 117.34 2kwd h ALA 26 Ca 0.24 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2kwd h ALA 26 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kwd h ALA 26 CO -0.07 0.64 -0.40 1.05 0.00 0.00 0.00 179.25 180.47 2kwd h GLU 27 N 0.41 0.01 -0.73 0.00 4.11 -0.91 -3.03 114.58 114.44 2kwd h GLU 27 Ca 0.03 -0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.58 2kwd h GLU 27 Cb 0.90 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.06 2kwd h GLU 27 CO 0.08 0.41 0.33 0.87 0.07 0.00 0.00 179.01 180.76 2kwd h LYS 28 N 0.01 0.51 0.11 1.06 1.57 -1.37 1.00 116.57 119.46 2kwd h LYS 28 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2kwd h LYS 28 Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2kwd h LYS 28 CO 0.05 0.34 -0.05 0.28 -0.57 0.00 0.00 179.45 179.50 2kwd h VAL 29 N 0.53 1.10 -0.50 0.50 2.07 -1.69 -2.42 116.25 115.84 2kwd h VAL 29 Ca 0.38 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2kwd h VAL 29 Cb 0.50 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2kwd h VAL 29 CO -0.33 0.25 0.26 -0.26 0.02 0.00 0.00 177.57 177.51 2kwd h PHE 30 N -0.68 0.70 -0.23 1.57 0.04 -1.31 0.88 116.94 117.91 2kwd h PHE 30 Ca -0.02 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.56 2kwd h PHE 30 Cb 0.52 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2kwd h PHE 30 CO 0.09 0.53 -0.56 0.87 -0.60 0.00 0.00 178.31 178.63 2kwd h LYS 31 N 0.66 0.70 -0.06 1.51 1.57 0.92 0.17 116.57 122.05 2kwd h LYS 31 Ca 0.17 -0.45 -0.17 0.00 -1.87 0.00 0.00 60.65 58.33 2kwd h LYS 31 Cb 0.07 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2kwd h LYS 31 CO -0.03 1.07 -0.70 0.37 -0.57 0.00 0.00 179.45 179.60 2kwd h GLN 32 N 0.54 0.28 -0.33 3.15 4.15 -1.31 -3.10 115.11 118.48 2kwd h GLN 32 Ca 0.01 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 2kwd h GLN 32 Cb 1.14 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 2kwd h GLN 32 CO 0.11 0.87 -0.20 -0.92 -1.93 0.00 0.00 178.83 176.76 2kwd h TYR 33 N 0.19 0.85 -0.63 3.99 3.20 0.10 -2.30 116.97 122.37 2kwd h TYR 33 Ca -0.02 -0.22 0.01 0.00 3.14 0.00 0.00 58.73 61.64 2kwd h TYR 33 Cb 1.25 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2kwd h TYR 33 CO 0.03 0.95 0.42 0.00 -1.64 0.00 0.00 178.16 177.92 2kwd h ALA 34 N 0.76 1.56 -0.07 1.82 0.00 -0.64 0.34 119.26 123.03 2kwd h ALA 34 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kwd h ALA 34 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kwd h ALA 34 CO 0.06 0.41 -0.16 -0.97 0.00 0.00 0.00 179.25 178.59 2kwd h ASN 35 N 0.85 0.27 0.54 0.00 -0.00 -1.46 0.12 115.58 115.91 2kwd h ASN 35 Ca 0.23 -0.58 -0.04 0.00 -0.00 0.00 0.00 56.30 55.91 2kwd h ASN 35 Cb -0.09 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 38.15 2kwd h ASN 35 CO -0.05 0.80 -0.21 0.44 -0.00 0.00 0.00 177.43 178.41 2kwd h ASP 36 N -0.25 0.00 0.79 1.15 3.32 -0.98 -3.14 116.42 117.32 2kwd h ASP 36 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 2kwd h ASP 36 Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2kwd h ASP 36 CO 0.04 0.21 -1.31 -0.55 -1.72 0.00 0.00 179.24 175.90 2kwd h ASN 37 N 0.00 0.00 0.00 6.45 7.08 -0.34 -3.49 115.58 125.28 2kwd h ASN 37 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2kwd h ASN 37 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2kwd h ASN 37 CO 0.03 0.59 0.00 0.61 -2.08 0.00 0.00 177.43 176.58 2kwd n GLY 38 N 1.38 0.95 3.11 9.14 0.00 -1.00 -5.08 105.19 113.69 2kwd n GLY 38 Ca -0.08 0.00 -0.33 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 -0.90 2.54 -0.23 1.61 0.11 -0.00 -4.87 120.40 118.67 2kwd s VAL 39 Ca 0.00 -1.58 -0.00 0.00 -2.93 0.00 0.00 61.98 57.47 2kwd s VAL 39 Cb 0.00 -2.50 0.06 0.00 -1.53 0.00 0.00 36.38 32.41 2kwd s VAL 39 CO 0.00 -0.11 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.01 2kwd s ASP 40 N 1.17 3.64 0.00 3.54 2.15 -1.25 -3.96 116.67 121.96 2kwd s ASP 40 Ca -0.06 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.82 2kwd s ASP 40 Cb -0.20 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.37 2kwd s ASP 40 CO -0.03 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2kwd n GLY 41 N 4.75 5.04 3.80 2.66 0.00 -1.26 -4.65 105.19 115.54 2kwd n GLY 41 Ca -0.11 -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 3.64 0.03 1.61 0.41 0.22 -4.64 118.70 121.62 2kwd s GLU 42 Ca 0.00 1.34 0.07 0.00 -0.41 0.00 0.00 54.97 55.97 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 -0.56 -0.20 -1.58 -0.49 0.00 0.00 175.26 172.43 2kwd s TRP 43 N -2.08 1.76 0.18 1.61 0.52 -1.26 -0.86 118.94 118.80 2kwd s TRP 43 Ca 0.67 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 56.51 2kwd s TRP 43 Cb -0.17 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 2kwd s TRP 43 CO 0.25 0.06 -0.17 -0.08 0.02 0.00 0.00 176.95 177.03 2kwd s THR 44 N -0.73 1.79 -0.16 2.01 -1.32 -1.05 -5.02 115.64 111.16 2kwd s THR 44 Ca 0.07 -1.99 -0.05 0.00 -1.21 0.00 0.00 61.69 58.52 2kwd s THR 44 Cb -0.08 -1.88 0.06 0.00 -1.51 0.00 0.00 72.50 69.08 2kwd s THR 44 CO 0.01 -0.39 0.10 -0.47 -2.21 0.00 0.00 174.62 171.66 2kwd s TYR 45 N -2.29 0.12 -0.46 9.09 5.04 -1.26 -2.93 117.35 124.66 2kwd s TYR 45 Ca 0.17 -0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.37 2kwd s TYR 45 Cb -0.04 -0.63 0.03 0.00 0.35 0.00 0.00 41.96 41.67 2kwd s TYR 45 CO 0.07 -0.48 0.90 0.34 -1.34 0.00 0.00 175.55 175.03 2kwd s ASP 46 N 2.17 6.48 0.00 4.32 -1.08 0.57 -4.77 116.67 124.36 2kwd s ASP 46 Ca 0.03 0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.36 2kwd s ASP 46 Cb -0.16 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 2kwd s ASP 46 CO -0.09 -1.03 1.08 -0.67 0.52 0.00 0.00 175.17 174.99 2kwd n ASP 47 N 7.09 1.23 0.12 -0.34 -0.08 -1.26 0.14 116.55 123.44 2kwd n ASP 47 Ca 0.05 -1.04 -0.02 0.00 -1.51 0.00 0.00 54.79 52.28 2kwd n ASP 47 Cb 0.48 0.67 0.05 0.00 2.34 0.00 0.00 41.12 44.67 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 3.31 0.67 0.00 -1.67 0.00 -1.95 -3.32 119.26 116.30 2kwd h ALA 48 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 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 0.88 0.00 0.25 0.00 0.00 0.00 179.25 180.38 2kwd n THR 49 N -3.46 0.05 -3.29 0.00 -2.24 -1.25 -5.03 114.28 99.06 2kwd n THR 49 Ca 0.00 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 2kwd n THR 49 Cb 0.75 1.50 0.08 0.00 -2.10 0.00 0.00 70.33 70.56 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 -0.03 -5.54 -4.06 -0.78 4.76 0.95 -4.86 118.16 108.60 2kwd n LYS 50 Ca 0.00 0.79 -0.20 0.00 -2.87 0.00 0.00 58.31 56.03 2kwd n LYS 50 Cb 0.18 -5.60 -0.17 0.00 -1.84 0.00 0.00 35.03 27.60 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 -3.34 0.48 0.26 -0.18 2.01 0.36 -0.96 115.64 114.28 2kwd s THR 51 Ca 0.06 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.07 2kwd s THR 51 Cb -0.01 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2kwd s THR 51 CO 0.68 0.23 0.22 -0.36 -0.69 0.00 0.00 174.62 174.70 2kwd s PHE 52 N 1.14 3.11 -0.21 4.92 0.40 0.40 0.21 117.98 127.96 2kwd s PHE 52 Ca -0.08 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 2kwd s PHE 52 Cb -0.14 -1.47 0.07 0.00 0.51 0.00 0.00 43.02 41.99 2kwd s PHE 52 CO -0.01 0.47 0.51 0.95 0.70 0.00 0.00 175.22 177.83 2kwd s THR 53 N -2.15 -0.02 -0.15 0.64 -4.23 -1.15 -0.84 115.64 107.75 2kwd s THR 53 Ca 0.34 0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2kwd s THR 53 Cb -0.08 -0.75 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 2kwd s THR 53 CO 0.25 0.02 -0.10 0.54 -0.54 0.00 0.00 174.62 174.80 2kwd s VAL 54 N 1.45 3.24 -0.12 2.29 0.11 -1.20 -2.54 120.40 123.63 2kwd s VAL 54 Ca -0.09 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2kwd s VAL 54 Cb -0.07 -2.39 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2kwd s VAL 54 CO -0.15 0.50 -0.16 0.28 -3.33 0.00 0.00 175.10 172.24 2kwd s THR 55 N 0.59 1.59 -0.86 5.04 -1.32 -0.04 -2.91 115.64 117.72 2kwd s THR 55 Ca -0.06 -0.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.81 2kwd s THR 55 Cb -0.15 -1.46 0.05 0.00 -1.51 0.00 0.00 72.50 69.44 2kwd s THR 55 CO 0.03 0.46 0.72 -1.84 -2.21 0.00 0.00 174.62 171.78