#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdm s THR 2 N 0.00 -0.04 0.12 4.28 -1.32 -1.26 -0.53 115.64 116.89 2kdm s THR 2 Ca 0.00 0.13 0.10 0.00 -1.21 0.00 0.00 61.69 60.71 2kdm s THR 2 Cb 0.00 -0.06 -0.04 0.00 -1.51 0.00 0.00 72.50 70.89 2kdm s THR 2 CO 0.00 0.05 -0.25 -0.31 -2.21 0.00 0.00 174.62 171.91 2kdm s TYR 3 N 0.64 2.10 0.06 9.09 1.51 -0.98 -4.47 117.35 125.31 2kdm s TYR 3 Ca -0.05 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2kdm s TYR 3 Cb -0.08 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2kdm s TYR 3 CO -0.02 0.28 -0.12 0.15 -1.11 0.00 0.00 175.55 174.74 2kdm s LYS 4 N -1.99 0.71 -0.09 -0.62 1.02 -1.00 -2.27 119.74 115.50 2kdm s LYS 4 Ca 0.11 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.22 2kdm s LYS 4 Cb -0.10 -0.62 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 2kdm s LYS 4 CO 0.05 0.13 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.37 2kdm s LEU 5 N -1.70 1.22 -0.36 3.17 2.96 0.30 0.48 118.68 124.76 2kdm s LEU 5 Ca -0.05 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 2kdm s LEU 5 Cb -0.10 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.88 2kdm s LEU 5 CO 0.02 -0.09 0.21 -0.63 -1.32 0.00 0.00 176.35 174.54 2kdm s ILE 6 N 1.39 4.78 -0.24 6.68 -1.09 0.76 -0.96 121.20 132.52 2kdm s ILE 6 Ca -0.02 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 2kdm s ILE 6 Cb -0.14 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2kdm s ILE 6 CO -0.04 -0.13 0.21 -0.76 -1.23 0.00 0.00 174.94 173.00 2kdm s LEU 7 N 1.61 4.11 -0.31 2.97 1.43 -0.06 -0.06 118.68 128.37 2kdm s LEU 7 Ca 0.04 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2kdm s LEU 7 Cb -0.18 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 43.95 2kdm s LEU 7 CO 0.08 0.03 0.07 0.21 0.23 0.00 0.00 176.35 176.96 2kdm s ASN 8 N 1.12 4.26 0.54 2.29 3.04 -0.02 -2.30 114.94 123.86 2kdm s ASN 8 Ca 0.10 -1.76 0.05 0.00 0.04 0.00 0.00 52.86 51.28 2kdm s ASN 8 Cb -0.14 -1.16 0.04 0.00 -1.54 0.00 0.00 41.25 38.45 2kdm s ASN 8 CO 0.06 -0.38 0.36 -1.48 -3.04 0.00 0.00 177.10 172.62 2kdm s LEU 9 N 1.35 2.63 -0.97 3.21 2.34 -1.15 -0.86 118.68 125.24 2kdm s LEU 9 Ca 0.09 -1.30 -0.05 0.00 0.06 0.00 0.00 54.13 52.92 2kdm s LEU 9 Cb -0.18 -1.12 0.04 0.00 -0.56 0.00 0.00 46.19 44.37 2kdm s LEU 9 CO -0.17 -1.10 2.68 1.17 -1.06 0.00 0.00 176.35 177.88 2kdm n LYS 10 N -1.72 3.58 0.00 1.48 4.81 -1.26 -3.95 118.16 121.10 2kdm n LYS 10 Ca -0.04 -2.75 0.00 0.00 -0.87 0.00 0.00 58.31 54.65 2kdm n LYS 10 Cb 0.65 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.26 2kdm n LYS 10 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2kdm n GLN 11 N 1.73 0.00 -0.95 1.64 6.02 -1.26 -5.17 117.38 119.39 2kdm n GLN 11 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 2kdm n GLN 11 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdm n ALA 12 N -2.24 0.00 -2.71 -1.58 0.00 -1.25 -5.18 120.51 107.56 2kdm n ALA 12 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2kdm n ALA 12 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2kdm n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kdm s LYS 13 N -1.80 0.97 -0.02 0.00 2.20 -1.26 -2.91 119.74 116.91 2kdm s LYS 13 Ca 0.00 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2kdm s LYS 13 Cb 0.00 -0.93 0.01 0.00 -1.51 0.00 0.00 37.83 35.40 2kdm s LYS 13 CO 0.00 0.22 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.93 2kdm s GLU 14 N -0.17 0.83 -0.15 4.03 0.41 -0.97 -5.02 118.70 117.65 2kdm s GLU 14 Ca 0.03 -0.24 -0.00 0.00 -0.41 0.00 0.00 54.97 54.34 2kdm s GLU 14 Cb -0.05 -0.79 -0.01 0.00 -1.78 0.00 0.00 34.13 31.50 2kdm s GLU 14 CO -0.00 0.08 -0.13 -1.21 -0.49 0.00 0.00 175.26 173.50 2kdm s GLU 15 N 0.28 3.31 -0.10 1.61 2.02 -1.26 -0.88 118.70 123.67 2kdm s GLU 15 Ca -0.04 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.26 2kdm s GLU 15 Cb -0.09 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 2kdm s GLU 15 CO 0.00 0.09 -0.17 0.00 0.02 0.00 0.00 175.26 175.20 2kdm s ALA 16 N 0.66 2.48 -0.04 5.21 0.00 -0.13 -4.97 121.76 124.97 2kdm s ALA 16 Ca -0.07 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 2kdm s ALA 16 Cb -0.15 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2kdm s ALA 16 CO 0.02 0.35 0.39 0.96 0.00 0.00 0.00 175.76 177.48 2kdm s ILE 17 N 0.03 0.04 -0.22 0.00 -4.36 -1.26 0.11 121.20 115.54 2kdm s ILE 17 Ca -0.06 -0.32 -0.28 0.00 -0.26 0.00 0.00 60.65 59.74 2kdm s ILE 17 Cb -0.15 -0.68 0.13 0.00 1.25 0.00 0.00 42.46 43.01 2kdm s ILE 17 CO 0.05 -0.17 1.03 -0.75 0.24 0.00 0.00 174.94 175.34 2kdm s LYS 18 N -1.06 0.53 -0.12 0.37 2.20 -0.96 -5.03 119.74 115.66 2kdm s LYS 18 Ca -0.11 0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.64 2kdm s LYS 18 Cb -0.04 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2kdm s LYS 18 CO 0.05 -0.12 0.57 -1.21 -0.36 0.00 0.00 175.35 174.27 2kdm s GLU 19 N -0.47 4.34 0.05 4.03 2.02 -1.26 -2.31 118.70 125.09 2kdm s GLU 19 Ca 0.01 0.59 -0.00 0.00 0.02 0.00 0.00 54.97 55.59 2kdm s GLU 19 Cb -0.03 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 2kdm s GLU 19 CO -0.03 0.05 -0.03 0.00 0.02 0.00 0.00 175.26 175.27 2kdm s ALA 20 N 0.94 0.46 0.07 5.21 0.00 0.31 -4.96 121.76 123.78 2kdm s ALA 20 Ca 0.29 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2kdm s ALA 20 Cb -0.16 0.22 -0.15 0.00 0.00 0.00 0.00 23.12 23.03 2kdm s ALA 20 CO 0.12 -0.30 1.62 -0.24 0.00 0.00 0.00 175.76 176.97 2kdm h VAL 21 N 3.54 1.10 -3.75 0.00 3.04 -1.98 0.30 116.25 118.50 2kdm h VAL 21 Ca -0.34 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2kdm h VAL 21 Cb 1.16 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2kdm h VAL 21 CO 0.59 0.08 0.00 -0.90 -1.01 0.00 0.00 177.57 176.33 2kdm n ASP 22 N -5.01 1.97 -0.06 3.17 5.75 -1.26 -4.00 116.55 117.11 2kdm n ASP 22 Ca -0.07 -0.75 -0.13 0.00 -0.01 0.00 0.00 54.79 53.83 2kdm n ASP 22 Cb 0.09 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kdm n ALA 23 N -3.00 1.36 -0.28 2.12 0.00 -1.26 -4.16 120.51 115.29 2kdm n ALA 23 Ca 0.00 -0.96 0.33 0.00 0.00 0.00 0.00 53.44 52.81 2kdm n ALA 23 Cb 0.00 -0.48 0.74 0.00 0.00 0.00 0.00 19.45 19.72 2kdm n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kdm h GLY 24 N 2.85 0.00 1.94 0.00 0.00 -1.99 0.99 103.07 106.87 2kdm h GLY 24 Ca -0.45 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 2kdm h GLY 24 CO 0.03 0.00 -0.93 -0.84 0.00 0.00 0.00 176.54 174.80 2kdm h THR 25 N 0.00 1.49 0.15 4.70 2.02 -1.99 -2.63 112.91 116.64 2kdm h THR 25 Ca 0.52 -3.13 -0.23 0.00 0.77 0.00 0.00 66.41 64.34 2kdm h THR 25 Cb 2.10 2.73 0.03 0.00 -1.74 0.00 0.00 68.15 71.26 2kdm h THR 25 CO -0.01 0.85 -1.00 0.00 0.37 0.00 0.00 175.52 175.73 2kdm h ALA 26 N 1.11 -0.08 0.72 6.16 0.00 0.63 -2.50 119.26 125.31 2kdm h ALA 26 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 2kdm h ALA 26 Cb 1.70 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.61 2kdm h ALA 26 CO 0.11 0.48 -0.35 1.49 0.00 0.00 0.00 179.25 180.99 2kdm h GLU 27 N -0.14 -0.93 -0.85 0.00 4.81 -0.50 0.80 114.58 117.77 2kdm h GLU 27 Ca -0.17 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2kdm h GLU 27 Cb 1.77 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 31.30 2kdm h GLU 27 CO 0.19 -0.62 0.55 0.87 -0.73 0.00 0.00 179.01 179.27 2kdm h LYS 28 N -1.17 0.65 0.00 1.92 1.57 -1.63 0.79 116.57 118.71 2kdm h LYS 28 Ca -0.10 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.38 2kdm h LYS 28 Cb 0.74 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.92 2kdm h LYS 28 CO 0.16 0.43 -1.02 -0.92 -0.57 0.00 0.00 179.45 177.53 2kdm h TYR 29 N 0.67 0.93 -0.37 -1.35 5.03 -1.37 -2.14 116.97 118.36 2kdm h TYR 29 Ca 0.41 -0.51 -0.08 0.00 2.58 0.00 0.00 58.73 61.14 2kdm h TYR 29 Cb 0.65 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 2kdm h TYR 29 CO -0.00 1.34 -0.06 0.74 -1.32 0.00 0.00 178.16 178.85 2kdm h PHE 30 N 0.35 0.78 -0.76 -3.82 -1.00 0.19 -2.55 116.94 110.13 2kdm h PHE 30 Ca -0.12 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.50 2kdm h PHE 30 Cb 1.67 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 41.00 2kdm h PHE 30 CO 0.09 0.83 0.48 -0.22 -1.61 0.00 0.00 178.31 177.88 2kdm h LYS 31 N 0.50 1.02 -0.83 1.51 3.11 0.51 0.05 116.57 122.44 2kdm h LYS 31 Ca 0.10 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 2kdm h LYS 31 Cb 0.57 -0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 31.53 2kdm h LYS 31 CO 0.03 0.70 0.54 -0.07 -2.81 0.00 0.00 179.45 177.85 2kdm h LEU 32 N 1.04 0.93 -0.54 5.20 3.38 -1.21 -2.10 115.31 122.00 2kdm h LEU 32 Ca 0.28 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 2kdm h LEU 32 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2kdm h LEU 32 CO -0.05 0.66 -0.72 -0.29 0.09 0.00 0.00 178.44 178.12 2kdm h ILE 33 N 1.09 1.51 0.00 1.22 6.09 -1.06 -2.49 117.51 123.87 2kdm h ILE 33 Ca 0.31 -2.48 0.00 0.00 -1.37 0.00 0.00 64.86 61.32 2kdm h ILE 33 Cb -0.09 2.34 0.00 0.00 0.47 0.00 0.00 36.82 39.55 2kdm h ILE 33 CO -0.08 0.71 0.00 0.00 -3.07 0.00 0.00 178.15 175.71 2kdm n ALA 34 N -2.40 -0.35 0.24 0.18 0.00 -0.03 -2.08 120.51 116.07 2kdm n ALA 34 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2kdm n ALA 34 Cb 0.71 0.03 0.36 0.00 0.00 0.00 0.00 19.45 20.55 2kdm n ALA 34 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kdm n ASN 35 N -1.67 0.34 0.22 0.00 2.04 -1.01 0.19 115.26 115.37 2kdm n ASN 35 Ca 0.00 0.62 0.11 0.00 -0.44 0.00 0.00 54.58 54.88 2kdm n ASN 35 Cb 0.00 -0.68 0.19 0.00 -2.53 0.00 0.00 39.78 36.76 2kdm n ASN 35 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kdm h ALA 36 N 2.16 0.97 0.00 -2.53 0.00 -1.22 -3.42 119.26 115.21 2kdm h ALA 36 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kdm h ALA 36 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kdm h ALA 36 CO 0.00 0.06 0.00 0.36 0.00 0.00 0.00 179.25 179.67 2kdm n LYS 37 N -3.11 0.00 -2.64 0.00 2.85 -0.72 -5.05 118.16 109.49 2kdm n LYS 37 Ca 0.04 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.07 2kdm n LYS 37 Cb 0.53 -0.39 0.09 0.00 -0.65 0.00 0.00 35.03 34.61 2kdm n LYS 37 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kdm s THR 38 N -1.00 2.25 -0.29 0.58 -4.23 0.49 -5.08 115.64 108.36 2kdm s THR 38 Ca 0.00 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.69 2kdm s THR 38 Cb 0.00 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.41 2kdm s THR 38 CO 0.00 0.00 1.13 0.54 -0.54 0.00 0.00 174.62 175.75 2kdm s VAL 39 N -3.02 0.00 0.10 2.29 0.11 -1.26 -4.07 120.40 114.55 2kdm s VAL 39 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2kdm s VAL 39 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2kdm s VAL 39 CO 0.43 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.41 2kdm n GLU 40 N 3.22 -1.98 0.00 1.54 4.07 -1.26 -4.99 120.64 121.24 2kdm n GLU 40 Ca -0.17 1.61 0.00 0.00 -0.06 0.00 0.00 57.16 58.54 2kdm n GLU 40 Cb 0.57 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 2kdm n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kdm n GLY 41 N 0.37 0.52 3.29 8.31 0.00 -1.26 -4.19 105.19 112.22 2kdm n GLY 41 Ca 0.00 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2kdm n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kdm s VAL 42 N -2.00 4.12 -0.27 1.61 1.01 0.38 -4.70 120.40 120.55 2kdm s VAL 42 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 2kdm s VAL 42 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2kdm s VAL 42 CO 0.00 -0.36 1.76 0.26 0.00 0.00 0.00 175.10 176.76 2kdm s TRP 43 N 1.43 1.86 0.16 5.22 0.52 -1.24 -2.58 118.94 124.31 2kdm s TRP 43 Ca 0.01 0.55 0.05 0.00 0.02 0.00 0.00 56.10 56.73 2kdm s TRP 43 Cb -0.21 -4.08 -0.04 0.00 -1.15 0.00 0.00 33.47 27.99 2kdm s TRP 43 CO 0.03 -3.10 -0.11 0.95 0.02 0.00 0.00 176.95 174.74 2kdm s THR 44 N 6.26 1.25 -0.01 2.01 -4.23 0.25 -4.94 115.64 116.23 2kdm s THR 44 Ca 0.78 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 2kdm s THR 44 Cb -0.25 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 2kdm s THR 44 CO 0.33 -0.72 0.10 -0.47 -0.54 0.00 0.00 174.62 173.32 2kdm s TYR 45 N -3.28 0.04 -0.08 3.99 6.14 -1.26 0.15 117.35 123.05 2kdm s TYR 45 Ca 0.18 -0.10 0.04 0.00 0.64 0.00 0.00 57.07 57.83 2kdm s TYR 45 Cb 0.02 -0.05 -0.01 0.00 0.42 0.00 0.00 41.96 42.34 2kdm s TYR 45 CO 0.02 -0.21 -0.21 0.15 0.64 0.00 0.00 175.55 175.94 2kdm s LYS 46 N -1.04 2.84 -0.22 4.97 1.02 0.15 -4.97 119.74 122.48 2kdm s LYS 46 Ca -0.11 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 54.83 2kdm s LYS 46 Cb -0.06 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2kdm s LYS 46 CO 0.01 0.33 0.73 0.34 -0.92 0.00 0.00 175.35 175.84 2kdm s ASP 47 N -0.01 6.76 0.00 2.83 -1.08 -1.26 -2.86 116.67 121.04 2kdm s ASP 47 Ca -0.07 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 2kdm s ASP 47 Cb -0.15 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2kdm s ASP 47 CO 0.05 -0.40 0.00 -1.84 0.52 0.00 0.00 175.17 173.50 2kdm n GLU 48 N 5.56 0.00 -0.18 4.34 0.28 -1.26 -4.91 120.64 124.47 2kdm n GLU 48 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 2kdm n GLU 48 Cb 0.49 0.00 0.11 0.00 1.43 0.00 0.00 31.44 33.47 2kdm n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2kdm n ILE 49 N 0.00 1.47 -2.79 3.84 2.08 -1.26 -5.05 119.36 117.65 2kdm n ILE 49 Ca 0.00 -1.78 -0.03 0.00 0.56 0.00 0.00 62.75 61.50 2kdm n ILE 49 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2kdm n LYS 50 N -1.11 -3.06 -3.91 0.38 4.01 -1.25 -4.55 118.16 108.67 2kdm n LYS 50 Ca 0.12 2.52 -0.11 0.00 -0.51 0.00 0.00 58.31 60.34 2kdm n LYS 50 Cb 0.66 -5.27 -0.13 0.00 -0.51 0.00 0.00 35.03 29.78 2kdm n LYS 50 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2kdm s THR 51 N -1.89 0.04 0.23 -0.18 -1.32 -1.14 -2.38 115.64 109.01 2kdm s THR 51 Ca 0.08 -0.33 0.09 0.00 -1.21 0.00 0.00 61.69 60.31 2kdm s THR 51 Cb -0.02 -0.12 -0.05 0.00 -1.51 0.00 0.00 72.50 70.80 2kdm s THR 51 CO 0.76 -0.18 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.47 2kdm s PHE 52 N -0.54 1.89 0.03 9.09 0.40 0.18 0.30 117.98 129.32 2kdm s PHE 52 Ca -0.06 -0.52 -0.10 0.00 -0.60 0.00 0.00 56.93 55.66 2kdm s PHE 52 Cb -0.04 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.62 2kdm s PHE 52 CO -0.00 0.45 0.20 0.99 0.70 0.00 0.00 175.22 177.55 2kdm s THR 53 N -2.85 0.10 -0.26 0.64 2.01 0.39 -0.17 115.64 115.50 2kdm s THR 53 Ca 0.25 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2kdm s THR 53 Cb -0.01 -0.77 0.08 0.00 0.01 0.00 0.00 72.50 71.81 2kdm s THR 53 CO 0.09 -0.44 0.09 0.54 -0.69 0.00 0.00 174.62 174.21 2kdm s VAL 54 N -2.17 0.43 -0.18 3.82 0.11 0.91 0.86 120.40 124.19 2kdm s VAL 54 Ca -0.08 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.05 2kdm s VAL 54 Cb -0.03 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2kdm s VAL 54 CO -0.02 -0.52 0.02 0.42 -3.33 0.00 0.00 175.10 171.67 2kdm s THR 55 N 1.87 4.30 -2.70 5.04 -4.23 -1.07 -0.84 115.64 118.00 2kdm s THR 55 Ca 0.06 -0.21 0.26 0.00 -1.18 0.00 0.00 61.69 60.62 2kdm s THR 55 Cb -0.17 -2.92 0.41 0.00 1.34 0.00 0.00 72.50 71.16 2kdm s THR 55 CO -0.22 0.46 1.55 1.21 -0.54 0.00 0.00 174.62 177.09