#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 3.30 0.41 4.28 2.01 -1.26 -1.48 115.64 122.89 2kdm s THR 2 Ca 0.00 -1.51 -0.22 0.00 0.31 0.00 0.00 61.69 60.27 2kdm s THR 2 Cb 0.00 -3.00 -0.11 0.00 0.01 0.00 0.00 72.50 69.41 2kdm s THR 2 CO 0.00 -0.30 0.94 -0.31 -0.69 0.00 0.00 174.62 174.26 2kdm s TYR 3 N 1.26 3.37 0.05 4.92 1.51 -0.62 -4.84 117.35 123.01 2kdm s TYR 3 Ca -0.00 1.62 0.04 0.00 -1.01 0.00 0.00 57.07 57.71 2kdm s TYR 3 Cb -0.21 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 2kdm s TYR 3 CO -0.01 -0.05 -0.11 0.15 -1.11 0.00 0.00 175.55 174.42 2kdm s LYS 4 N -2.99 0.67 -0.06 -0.62 1.02 -1.03 -1.80 119.74 114.94 2kdm s LYS 4 Ca 0.60 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.78 2kdm s LYS 4 Cb -0.11 -0.55 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 2kdm s LYS 4 CO 0.15 0.12 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.38 2kdm s LEU 5 N -1.63 1.79 -0.36 3.17 2.96 0.30 -0.25 118.68 124.67 2kdm s LEU 5 Ca -0.06 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2kdm s LEU 5 Cb -0.10 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.70 2kdm s LEU 5 CO 0.01 0.09 0.15 -0.63 -1.32 0.00 0.00 176.35 174.65 2kdm s ILE 6 N 0.42 4.13 -0.26 6.68 -1.09 0.28 -0.29 121.20 131.07 2kdm s ILE 6 Ca -0.11 -1.02 -0.09 0.00 -2.23 0.00 0.00 60.65 57.20 2kdm s ILE 6 Cb -0.14 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 2kdm s ILE 6 CO 0.04 -0.21 0.13 -0.76 -1.23 0.00 0.00 174.94 172.91 2kdm s LEU 7 N 1.47 3.75 -0.26 2.97 1.43 -0.63 -0.94 118.68 126.47 2kdm s LEU 7 Ca -0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2kdm s LEU 7 Cb -0.19 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2kdm s LEU 7 CO 0.05 -0.03 0.00 0.21 0.23 0.00 0.00 176.35 176.81 2kdm s ASN 8 N 1.60 3.93 0.54 2.29 2.47 -0.95 -1.45 114.94 123.37 2kdm s ASN 8 Ca 0.07 -1.38 0.04 0.00 0.42 0.00 0.00 52.86 52.01 2kdm s ASN 8 Cb -0.15 -1.12 0.03 0.00 -1.45 0.00 0.00 41.25 38.55 2kdm s ASN 8 CO 0.07 -0.30 0.27 -1.48 -3.72 0.00 0.00 177.10 171.94 2kdm s LEU 9 N 1.42 2.52 -1.49 3.21 2.34 -1.17 -2.14 118.68 123.36 2kdm s LEU 9 Ca 0.00 -1.41 -0.09 0.00 0.06 0.00 0.00 54.13 52.69 2kdm s LEU 9 Cb -0.18 -1.00 0.01 0.00 -0.56 0.00 0.00 46.19 44.45 2kdm s LEU 9 CO -0.10 -1.05 2.62 1.17 -1.06 0.00 0.00 176.35 177.92 2kdm n LYS 10 N -1.62 3.84 0.01 1.48 4.81 -1.26 -3.82 118.16 121.60 2kdm n LYS 10 Ca -0.08 -2.72 0.00 0.00 -0.87 0.00 0.00 58.31 54.64 2kdm n LYS 10 Cb 0.65 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2kdm n LYS 10 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2kdm n GLN 11 N 3.41 0.00 -3.46 1.64 7.27 -1.26 -5.16 117.38 119.83 2kdm n GLN 11 Ca 0.68 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.62 2kdm n GLN 11 Cb 0.27 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.89 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kdm s ALA 12 N -2.00 -1.54 -0.20 1.69 0.00 -1.25 -5.15 121.76 113.30 2kdm s ALA 12 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.44 2kdm s ALA 12 Cb 0.00 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2kdm s ALA 12 CO 0.00 -0.71 -0.02 0.21 0.00 0.00 0.00 175.76 175.24 2kdm s LYS 13 N -3.44 3.50 -0.04 0.00 2.20 -1.26 -3.05 119.74 117.65 2kdm s LYS 13 Ca -0.00 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 2kdm s LYS 13 Cb -0.01 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2kdm s LYS 13 CO -0.10 -0.07 -0.05 -2.00 -0.36 0.00 0.00 175.35 172.77 2kdm s GLU 14 N 1.17 2.71 -0.20 4.03 -6.30 -0.53 -4.99 118.70 114.59 2kdm s GLU 14 Ca 0.02 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 51.83 2kdm s GLU 14 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 34.13 31.36 2kdm s GLU 14 CO 0.00 0.64 0.05 -1.21 0.02 0.00 0.00 175.26 174.76 2kdm s GLU 15 N -1.09 3.82 -0.07 4.30 0.41 -1.26 -1.61 118.70 123.20 2kdm s GLU 15 Ca 0.15 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 2kdm s GLU 15 Cb -0.11 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 2kdm s GLU 15 CO 0.04 0.13 -0.05 0.00 -0.49 0.00 0.00 175.26 174.89 2kdm s ALA 16 N 0.75 3.05 0.04 5.21 0.00 0.61 -4.97 121.76 126.44 2kdm s ALA 16 Ca 0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 2kdm s ALA 16 Cb -0.14 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.74 2kdm s ALA 16 CO 0.02 0.58 0.38 0.96 0.00 0.00 0.00 175.76 177.69 2kdm s ILE 17 N -0.83 0.06 -0.29 0.00 -4.36 -1.26 0.11 121.20 114.63 2kdm s ILE 17 Ca 0.13 -0.52 -0.22 0.00 -0.26 0.00 0.00 60.65 59.78 2kdm s ILE 17 Cb -0.11 -0.93 0.13 0.00 1.25 0.00 0.00 42.46 42.80 2kdm s ILE 17 CO 0.02 -0.29 1.03 -0.75 0.24 0.00 0.00 174.94 175.19 2kdm s LYS 18 N -2.42 0.45 -0.45 0.37 2.47 -0.74 -5.02 119.74 114.41 2kdm s LYS 18 Ca -0.06 0.60 -0.20 0.00 -1.56 0.00 0.00 55.97 54.75 2kdm s LYS 18 Cb -0.01 0.18 0.03 0.00 -1.46 0.00 0.00 37.83 36.57 2kdm s LYS 18 CO -0.02 -0.07 0.62 -2.00 0.16 0.00 0.00 175.35 174.05 2kdm s GLU 19 N 0.59 3.24 -0.00 4.03 2.12 -1.26 -1.59 118.70 125.82 2kdm s GLU 19 Ca -0.01 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2kdm s GLU 19 Cb -0.05 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2kdm s GLU 19 CO -0.10 -1.03 -0.00 0.00 -0.54 0.00 0.00 175.26 173.60 2kdm s ALA 20 N 2.74 0.04 0.15 6.30 0.00 -0.55 -4.99 121.76 125.45 2kdm s ALA 20 Ca 0.21 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2kdm s ALA 20 Cb -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2kdm s ALA 20 CO 0.17 0.00 1.81 -0.39 0.00 0.00 0.00 175.76 177.35 2kdm h VAL 21 N 5.23 1.08 -3.88 0.00 -1.51 -1.96 -2.57 116.25 112.63 2kdm h VAL 21 Ca -0.26 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2kdm h VAL 21 Cb 1.20 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2kdm h VAL 21 CO 0.51 0.09 0.00 -0.90 -1.23 0.00 0.00 177.57 176.03 2kdm n ASP 22 N -4.84 0.15 -0.06 4.19 5.75 -1.26 -3.86 116.55 116.62 2kdm n ASP 22 Ca -0.00 -0.88 -0.06 0.00 -0.01 0.00 0.00 54.79 53.84 2kdm n ASP 22 Cb 0.03 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 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 1.72 -0.33 2.12 0.00 -1.26 -4.42 120.51 115.34 2kdm n ALA 23 Ca 0.00 -0.72 0.26 0.00 0.00 0.00 0.00 53.44 52.98 2kdm n ALA 23 Cb 0.00 0.03 0.56 0.00 0.00 0.00 0.00 19.45 20.04 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 2.09 1.02 2.00 0.00 0.00 -1.99 0.99 103.07 107.18 2kdm h GLY 24 Ca -0.30 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 2kdm h GLY 24 CO 0.01 -0.14 -0.73 -0.84 0.00 0.00 0.00 176.54 174.84 2kdm h THR 25 N 0.30 1.31 0.11 4.70 2.02 -1.99 -2.64 112.91 116.72 2kdm h THR 25 Ca 0.61 -2.71 -0.28 0.00 0.77 0.00 0.00 66.41 64.79 2kdm h THR 25 Cb 1.73 2.56 0.02 0.00 -1.74 0.00 0.00 68.15 70.71 2kdm h THR 25 CO -0.26 0.72 -1.21 0.00 0.37 0.00 0.00 175.52 175.14 2kdm h ALA 26 N 1.27 0.07 0.61 6.16 0.00 0.52 -2.33 119.26 125.56 2kdm h ALA 26 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 2kdm h ALA 26 Cb 1.50 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2kdm h ALA 26 CO 0.10 0.76 -0.29 1.49 0.00 0.00 0.00 179.25 181.30 2kdm h GLU 27 N 0.23 -0.79 -0.97 0.00 4.81 -0.22 0.24 114.58 117.88 2kdm h GLU 27 Ca -0.16 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2kdm h GLU 27 Cb 1.88 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 31.37 2kdm h GLU 27 CO 0.22 -0.51 0.62 0.87 -0.73 0.00 0.00 179.01 179.48 2kdm h LYS 28 N -1.20 0.99 -0.03 1.92 1.57 -1.62 0.46 116.57 118.67 2kdm h LYS 28 Ca -0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2kdm h LYS 28 Cb 0.64 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2kdm h LYS 28 CO 0.14 0.65 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.73 2kdm h TYR 29 N 1.02 0.08 -0.71 -1.35 5.03 -1.43 -2.56 116.97 117.05 2kdm h TYR 29 Ca 0.45 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.73 2kdm h TYR 29 Cb 0.36 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.59 2kdm h TYR 29 CO -0.00 0.51 0.43 0.74 -1.32 0.00 0.00 178.16 178.52 2kdm h PHE 30 N -0.37 0.92 -0.29 -3.82 0.04 0.04 -1.55 116.94 111.91 2kdm h PHE 30 Ca 0.01 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.83 2kdm h PHE 30 Cb 0.50 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2kdm h PHE 30 CO 0.08 0.62 0.20 -0.22 -0.60 0.00 0.00 178.31 178.39 2kdm h LYS 31 N 0.96 0.17 -0.21 1.51 3.64 -0.07 0.31 116.57 122.88 2kdm h LYS 31 Ca 0.25 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 2kdm h LYS 31 Cb -0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2kdm h LYS 31 CO -0.05 0.11 -0.63 -0.07 -2.27 0.00 0.00 179.45 176.54 2kdm h LEU 32 N 0.17 0.83 0.08 5.20 3.38 -0.86 -1.57 115.31 122.54 2kdm h LEU 32 Ca 0.13 -0.48 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 2kdm h LEU 32 Cb 0.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kdm h LEU 32 CO -0.02 1.26 -1.17 -0.29 0.09 0.00 0.00 178.44 178.31 2kdm h ILE 33 N 0.54 1.56 0.28 1.22 6.09 -0.96 -2.70 117.51 123.54 2kdm h ILE 33 Ca -0.01 -3.14 -0.01 0.00 -1.37 0.00 0.00 64.86 60.33 2kdm h ILE 33 Cb 1.23 2.91 0.00 0.00 0.47 0.00 0.00 36.82 41.43 2kdm h ILE 33 CO 0.13 0.91 -0.14 0.00 -3.07 0.00 0.00 178.15 175.98 2kdm h ALA 34 N 0.70 -0.65 -0.63 0.18 0.00 -0.44 -0.75 119.26 117.66 2kdm h ALA 34 Ca -0.10 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2kdm h ALA 34 Cb 1.91 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 2kdm h ALA 34 CO 0.18 -0.62 0.44 -0.91 0.00 0.00 0.00 179.25 178.34 2kdm h ASN 35 N -0.61 0.21 1.25 0.00 -0.26 -1.39 0.71 115.58 115.49 2kdm h ASN 35 Ca -0.04 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.63 2kdm h ASN 35 Cb 0.29 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2kdm h ASN 35 CO 0.06 0.11 -0.40 0.00 -1.06 0.00 0.00 177.43 176.15 2kdm h ALA 36 N 1.69 0.82 0.05 -0.83 0.00 -1.51 -3.28 119.26 116.22 2kdm h ALA 36 Ca 0.30 -0.36 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 2kdm h ALA 36 Cb 0.89 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2kdm h ALA 36 CO -0.06 0.50 -1.95 1.63 0.00 0.00 0.00 179.25 179.37 2kdm n LYS 37 N -3.32 0.69 -2.81 0.00 5.02 0.64 -5.03 118.16 113.35 2kdm n LYS 37 Ca 0.01 0.25 -0.07 0.00 -2.02 0.00 0.00 58.31 56.47 2kdm n LYS 37 Cb 0.62 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 2kdm n LYS 37 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kdm n THR 38 N -3.22 0.00 -2.75 -0.18 -2.24 0.21 -5.08 114.28 101.03 2kdm n THR 38 Ca -0.27 -0.87 -0.02 0.00 -2.27 0.00 0.00 64.05 60.63 2kdm n THR 38 Cb 1.05 0.60 0.09 0.00 -2.10 0.00 0.00 70.33 69.98 2kdm n THR 38 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kdm n VAL 39 N -0.32 0.61 -3.61 2.28 0.31 -1.26 -3.84 118.33 112.50 2kdm n VAL 39 Ca -0.01 -1.97 -0.01 0.00 -0.01 0.00 0.00 64.34 62.34 2kdm n VAL 39 Cb 0.33 1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 34.33 2kdm n VAL 39 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kdm s GLU 40 N -1.78 0.34 0.00 5.55 2.12 -1.26 -5.16 118.70 118.52 2kdm s GLU 40 Ca 0.18 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.13 2kdm s GLU 40 Cb 0.39 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2kdm s GLU 40 CO -0.08 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2kdm n GLY 41 N 3.85 0.91 3.32 -1.50 0.00 -1.26 -4.21 105.19 106.30 2kdm n GLY 41 Ca -0.17 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 4.39 0.08 1.61 1.01 0.32 -4.69 120.40 121.12 2kdm s VAL 42 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 2kdm s VAL 42 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2kdm s VAL 42 CO 0.00 -0.35 1.39 0.26 0.00 0.00 0.00 175.10 176.40 2kdm s TRP 43 N 1.49 3.13 0.06 5.22 0.52 -1.24 -2.57 118.94 125.56 2kdm s TRP 43 Ca 0.02 0.92 -0.15 0.00 0.02 0.00 0.00 56.10 56.91 2kdm s TRP 43 Cb -0.21 -3.67 0.02 0.00 -1.15 0.00 0.00 33.47 28.46 2kdm s TRP 43 CO 0.05 -2.39 0.34 0.95 0.02 0.00 0.00 176.95 175.92 2kdm s THR 44 N 1.46 0.08 -0.03 2.01 -4.23 0.73 -4.94 115.64 110.72 2kdm s THR 44 Ca 0.64 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 60.45 2kdm s THR 44 Cb -0.35 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.47 2kdm s THR 44 CO 0.29 -0.36 0.11 -0.47 -0.54 0.00 0.00 174.62 173.65 2kdm s TYR 45 N -2.91 -0.07 0.02 3.99 6.14 -1.26 0.14 117.35 123.41 2kdm s TYR 45 Ca -0.03 0.17 0.09 0.00 0.64 0.00 0.00 57.07 57.94 2kdm s TYR 45 Cb 0.00 0.01 -0.03 0.00 0.42 0.00 0.00 41.96 42.37 2kdm s TYR 45 CO -0.06 -0.12 -0.26 0.15 0.64 0.00 0.00 175.55 175.91 2kdm s LYS 46 N -0.35 1.87 0.84 4.97 1.02 0.19 -4.98 119.74 123.30 2kdm s LYS 46 Ca -0.04 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 54.84 2kdm s LYS 46 Cb -0.03 -1.96 0.17 0.00 -0.52 0.00 0.00 37.83 35.49 2kdm s LYS 46 CO 0.00 0.52 1.15 0.34 -0.92 0.00 0.00 175.35 176.44 2kdm s ASP 47 N -1.01 3.72 0.00 2.83 -1.08 -1.26 -2.56 116.67 117.31 2kdm s ASP 47 Ca 0.11 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2kdm s ASP 47 Cb -0.10 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.30 2kdm s ASP 47 CO 0.01 -2.30 0.00 -0.62 0.52 0.00 0.00 175.17 172.78 2kdm n GLU 48 N -3.28 0.00 0.00 4.34 -0.58 -1.26 -4.33 120.64 115.53 2kdm n GLU 48 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2kdm n GLU 48 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2kdm n GLU 48 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kdm n ILE 49 N 0.00 0.00 -2.95 -3.67 -5.35 -1.26 -5.09 119.36 101.04 2kdm n ILE 49 Ca 0.00 -0.23 -0.05 0.00 -0.27 0.00 0.00 62.75 62.20 2kdm n ILE 49 Cb 0.00 1.23 0.01 0.00 -1.74 0.00 0.00 39.64 39.14 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kdm n LYS 50 N -0.26 -2.27 -3.69 6.28 4.01 -1.14 -4.65 118.16 116.44 2kdm n LYS 50 Ca 0.00 1.99 -0.13 0.00 -0.51 0.00 0.00 58.31 59.66 2kdm n LYS 50 Cb 0.06 -3.87 -0.09 0.00 -0.51 0.00 0.00 35.03 30.62 2kdm n LYS 50 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2kdm s THR 51 N -1.60 -0.00 0.31 -0.18 -4.23 -1.06 -2.45 115.64 106.43 2kdm s THR 51 Ca 0.08 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2kdm s THR 51 Cb -0.02 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2kdm s THR 51 CO 0.57 0.00 0.21 -0.36 -0.54 0.00 0.00 174.62 174.50 2kdm s PHE 52 N 0.39 2.90 0.01 3.99 0.40 0.66 -0.64 117.98 125.69 2kdm s PHE 52 Ca -0.01 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2kdm s PHE 52 Cb -0.04 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2kdm s PHE 52 CO -0.01 0.34 0.19 0.99 0.70 0.00 0.00 175.22 177.44 2kdm s THR 53 N -2.29 0.09 -0.26 0.64 2.01 0.38 -0.56 115.64 115.65 2kdm s THR 53 Ca 0.37 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2kdm s THR 53 Cb -0.06 -0.60 0.09 0.00 0.01 0.00 0.00 72.50 71.94 2kdm s THR 53 CO 0.25 -0.39 0.09 0.54 -0.69 0.00 0.00 174.62 174.42 2kdm s VAL 54 N -1.70 0.43 -0.21 3.82 0.11 -0.12 -0.19 120.40 122.54 2kdm s VAL 54 Ca -0.12 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 57.95 2kdm s VAL 54 Cb -0.05 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2kdm s VAL 54 CO 0.01 -0.55 0.07 -0.89 -3.33 0.00 0.00 175.10 170.41 2kdm s THR 55 N 1.86 4.59 -2.69 5.04 2.01 -1.06 -2.24 115.64 123.16 2kdm s THR 55 Ca 0.06 -0.09 0.26 0.00 0.31 0.00 0.00 61.69 62.23 2kdm s THR 55 Cb -0.17 -3.10 0.41 0.00 0.01 0.00 0.00 72.50 69.65 2kdm s THR 55 CO -0.23 0.40 1.56 1.21 -0.69 0.00 0.00 174.62 176.87