#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 0.65 0.05 4.28 2.01 -1.26 -0.79 115.64 120.59 2kdm s THR 2 Ca 0.00 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.09 2kdm s THR 2 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2kdm s THR 2 CO 0.00 -0.42 0.14 -0.31 -0.69 0.00 0.00 174.62 173.35 2kdm s TYR 3 N 1.77 3.37 0.04 4.92 1.51 -0.77 -4.73 117.35 123.46 2kdm s TYR 3 Ca 0.03 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 2kdm s TYR 3 Cb -0.17 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2kdm s TYR 3 CO -0.17 0.57 -0.07 0.15 -1.11 0.00 0.00 175.55 174.92 2kdm s LYS 4 N -2.29 0.51 -0.09 -0.62 3.01 -1.03 -2.04 119.74 117.19 2kdm s LYS 4 Ca 0.30 -0.75 0.02 0.00 -1.01 0.00 0.00 55.97 54.54 2kdm s LYS 4 Cb -0.13 -0.24 0.01 0.00 -1.01 0.00 0.00 37.83 36.47 2kdm s LYS 4 CO 0.23 0.04 -0.14 -1.17 0.51 0.00 0.00 175.35 174.81 2kdm s LEU 5 N -1.59 1.70 -0.34 3.17 2.96 0.28 0.07 118.68 124.93 2kdm s LEU 5 Ca -0.10 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2kdm s LEU 5 Cb -0.10 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.61 2kdm s LEU 5 CO 0.00 0.04 0.18 -0.63 -1.32 0.00 0.00 176.35 174.62 2kdm s ILE 6 N 0.79 4.62 -0.19 6.68 -1.09 0.52 -0.45 121.20 132.08 2kdm s ILE 6 Ca -0.11 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.58 2kdm s ILE 6 Cb -0.16 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2kdm s ILE 6 CO 0.02 -0.08 0.15 -0.76 -1.23 0.00 0.00 174.94 173.04 2kdm s LEU 7 N 1.59 4.23 -0.31 2.97 1.43 -0.56 -1.22 118.68 126.81 2kdm s LEU 7 Ca 0.03 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2kdm s LEU 7 Cb -0.18 -2.13 0.09 0.00 0.03 0.00 0.00 46.19 44.01 2kdm s LEU 7 CO 0.07 0.19 0.06 0.21 0.23 0.00 0.00 176.35 177.11 2kdm s ASN 8 N 0.24 4.23 0.23 2.29 3.04 -0.84 -2.28 114.94 121.86 2kdm s ASN 8 Ca 0.10 -1.73 0.09 0.00 0.04 0.00 0.00 52.86 51.36 2kdm s ASN 8 Cb -0.11 -1.15 -0.04 0.00 -1.54 0.00 0.00 41.25 38.40 2kdm s ASN 8 CO -0.01 -0.38 -0.04 -0.76 -3.04 0.00 0.00 177.10 172.87 2kdm s LEU 9 N 1.35 3.11 0.29 3.21 1.43 -0.83 -1.63 118.68 125.62 2kdm s LEU 9 Ca 0.08 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2kdm s LEU 9 Cb -0.18 -1.68 0.57 0.00 0.03 0.00 0.00 46.19 44.92 2kdm s LEU 9 CO -0.17 0.04 1.86 0.50 0.23 0.00 0.00 176.35 178.81 2kdm h LYS 10 N 2.26 0.96 0.63 1.70 3.11 -1.99 -2.96 116.57 120.27 2kdm h LYS 10 Ca -0.45 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.30 2kdm h LYS 10 Cb 1.23 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2kdm h LYS 10 CO 0.58 0.63 -0.30 0.37 -2.81 0.00 0.00 179.45 177.93 2kdm h GLN 11 N 0.98 -0.81 0.00 1.90 -0.00 -2.04 -3.49 115.11 111.66 2kdm h GLN 11 Ca 0.46 0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 59.14 2kdm h GLN 11 Cb 0.43 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.09 2kdm h GLN 11 CO -0.22 -0.54 0.13 0.00 0.00 0.00 0.00 178.83 178.19 2kdm n ALA 12 N -2.59 -0.90 -2.53 3.38 0.00 -1.12 -5.17 120.51 111.59 2kdm n ALA 12 Ca -0.10 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.28 2kdm n ALA 12 Cb 0.33 0.58 -0.13 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.09 2.58 0.03 0.00 2.20 -1.26 -1.96 119.74 119.24 2kdm s LYS 13 Ca 0.10 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 55.08 2kdm s LYS 13 Cb -0.02 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 2kdm s LYS 13 CO 0.07 0.60 -0.17 -1.21 -0.36 0.00 0.00 175.35 174.28 2kdm s GLU 14 N -0.66 1.16 -0.20 4.03 8.01 -0.97 -5.03 118.70 125.04 2kdm s GLU 14 Ca 0.10 -0.78 -0.04 0.00 0.01 0.00 0.00 54.97 54.25 2kdm s GLU 14 Cb -0.11 -1.20 -0.02 0.00 -4.31 0.00 0.00 34.13 28.49 2kdm s GLU 14 CO 0.01 0.31 -0.02 -1.21 0.01 0.00 0.00 175.26 174.36 2kdm s GLU 15 N -1.00 3.53 -0.13 1.61 2.02 -1.26 -1.50 118.70 121.97 2kdm s GLU 15 Ca 0.05 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 2kdm s GLU 15 Cb -0.08 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2kdm s GLU 15 CO 0.01 -0.04 -0.05 0.00 0.02 0.00 0.00 175.26 175.20 2kdm s ALA 16 N 1.11 2.99 0.05 5.21 0.00 0.40 -4.99 121.76 126.54 2kdm s ALA 16 Ca 0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2kdm s ALA 16 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2kdm s ALA 16 CO 0.01 0.34 -0.03 0.96 0.00 0.00 0.00 175.76 177.03 2kdm s ILE 17 N -0.03 0.24 -0.23 0.00 -0.00 -1.26 0.10 121.20 120.01 2kdm s ILE 17 Ca 0.01 -1.62 -0.27 0.00 -0.00 0.00 0.00 60.65 58.76 2kdm s ILE 17 Cb -0.13 -1.26 0.13 0.00 -0.00 0.00 0.00 42.46 41.20 2kdm s ILE 17 CO 0.03 -0.88 1.04 -0.75 -0.00 0.00 0.00 174.94 174.38 2kdm s LYS 18 N -3.37 0.52 -0.28 0.37 2.20 -0.87 -5.00 119.74 113.31 2kdm s LYS 18 Ca 0.02 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2kdm s LYS 18 Cb 0.04 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2kdm s LYS 18 CO -0.08 -0.11 0.04 -1.83 -0.36 0.00 0.00 175.35 173.01 2kdm s GLU 19 N -0.33 3.01 0.07 4.03 -1.05 -1.26 -1.84 118.70 121.33 2kdm s GLU 19 Ca 0.01 -0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 53.93 2kdm s GLU 19 Cb -0.03 -3.25 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 2kdm s GLU 19 CO -0.03 -0.43 -0.01 0.00 0.95 0.00 0.00 175.26 175.74 2kdm s ALA 20 N 1.44 0.62 -0.51 -0.84 0.00 0.03 -5.00 121.76 117.51 2kdm s ALA 20 Ca 0.02 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 50.77 2kdm s ALA 20 Cb -0.17 0.42 0.50 0.00 0.00 0.00 0.00 23.12 23.87 2kdm s ALA 20 CO 0.00 -0.39 1.30 1.33 0.00 0.00 0.00 175.76 178.00 2kdm n VAL 21 N 0.05 1.77 -2.71 0.00 0.24 -1.26 -1.59 118.33 114.83 2kdm n VAL 21 Ca -0.12 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2kdm n VAL 21 Cb 0.62 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 2kdm n VAL 21 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kdm n ASP 22 N 0.30 0.00 -0.03 -1.34 8.00 -1.26 -4.72 116.55 117.50 2kdm n ASP 22 Ca 0.19 -0.58 -0.04 0.00 0.71 0.00 0.00 54.79 55.07 2kdm n ASP 22 Cb 0.87 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdm n ALA 23 N -3.00 1.87 -0.28 2.24 0.00 -1.26 -4.41 120.51 115.67 2kdm n ALA 23 Ca 0.00 -0.27 0.32 0.00 0.00 0.00 0.00 53.44 53.49 2kdm n ALA 23 Cb 0.00 0.32 0.71 0.00 0.00 0.00 0.00 19.45 20.49 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 0.56 0.15 1.86 0.00 0.00 -1.99 0.98 103.07 104.64 2kdm h GLY 24 Ca -0.14 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 2kdm h GLY 24 CO -0.02 -0.02 -0.90 -0.84 0.00 0.00 0.00 176.54 174.77 2kdm h THR 25 N 0.05 1.27 0.04 4.70 2.02 -1.99 -2.65 112.91 116.35 2kdm h THR 25 Ca 0.53 -2.85 -0.26 0.00 0.77 0.00 0.00 66.41 64.59 2kdm h THR 25 Cb 2.01 2.62 0.02 0.00 -1.74 0.00 0.00 68.15 71.06 2kdm h THR 25 CO -0.04 0.73 -1.05 0.00 0.37 0.00 0.00 175.52 175.53 2kdm h ALA 26 N 1.20 0.08 0.61 6.16 0.00 0.62 -2.15 119.26 125.77 2kdm h ALA 26 Ca -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 2kdm h ALA 26 Cb 1.64 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.51 2kdm h ALA 26 CO 0.10 0.64 -0.29 1.49 0.00 0.00 0.00 179.25 181.19 2kdm h GLU 27 N 0.29 -0.78 -0.87 0.00 4.81 -0.75 0.19 114.58 117.46 2kdm h GLU 27 Ca -0.14 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2kdm h GLU 27 Cb 1.72 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 31.21 2kdm h GLU 27 CO 0.20 -0.52 0.56 0.87 -0.73 0.00 0.00 179.01 179.39 2kdm h LYS 28 N -1.22 0.72 0.10 1.92 1.79 -1.62 0.65 116.57 118.92 2kdm h LYS 28 Ca -0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2kdm h LYS 28 Cb 0.63 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2kdm h LYS 28 CO 0.14 0.48 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.02 2kdm h TYR 29 N 0.74 -0.12 -0.78 -1.35 5.03 -1.39 -2.57 116.97 116.53 2kdm h TYR 29 Ca 0.42 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.74 2kdm h TYR 29 Cb 0.59 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.87 2kdm h TYR 29 CO -0.00 0.38 0.52 0.74 -1.32 0.00 0.00 178.16 178.48 2kdm h PHE 30 N -0.73 0.98 -0.43 -3.82 0.04 -0.16 -1.31 116.94 111.52 2kdm h PHE 30 Ca -0.01 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.82 2kdm h PHE 30 Cb 0.56 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2kdm h PHE 30 CO 0.10 0.62 0.29 -0.22 -0.60 0.00 0.00 178.31 178.50 2kdm h LYS 31 N 1.06 0.40 -0.43 1.51 3.11 0.26 0.14 116.57 122.61 2kdm h LYS 31 Ca 0.29 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.96 2kdm h LYS 31 Cb -0.12 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 2kdm h LYS 31 CO -0.06 0.26 -0.28 -0.07 -2.81 0.00 0.00 179.45 176.49 2kdm h LEU 32 N 0.41 1.00 -0.11 5.20 3.38 -0.82 -2.56 115.31 121.81 2kdm h LEU 32 Ca 0.18 -0.43 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 2kdm h LEU 32 Cb 0.20 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.68 2kdm h LEU 32 CO -0.04 1.21 -0.98 -0.29 0.09 0.00 0.00 178.44 178.43 2kdm h ILE 33 N 0.79 1.36 0.00 1.22 6.09 -1.01 -2.61 117.51 123.35 2kdm h ILE 33 Ca 0.09 -2.37 0.00 0.00 -1.37 0.00 0.00 64.86 61.20 2kdm h ILE 33 Cb 0.87 2.40 0.00 0.00 0.47 0.00 0.00 36.82 40.56 2kdm h ILE 33 CO 0.08 0.72 0.00 0.00 -3.07 0.00 0.00 178.15 175.88 2kdm n ALA 34 N -2.58 -0.28 0.01 0.18 0.00 0.41 0.24 120.51 118.49 2kdm n ALA 34 Ca -0.08 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.59 2kdm n ALA 34 Cb 0.85 0.07 0.71 0.00 0.00 0.00 0.00 19.45 21.08 2kdm n ALA 34 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kdm h ASN 35 N 0.00 0.00 -0.35 0.00 -0.26 -1.61 0.95 115.58 114.31 2kdm h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kdm h ASN 35 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kdm h ASN 35 CO 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 2kdm n ALA 36 N -2.41 2.46 -1.75 -0.83 0.00 -0.95 -4.19 120.51 112.84 2kdm n ALA 36 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kdm n ALA 36 Cb 0.77 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2kdm n ALA 36 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kdm n LYS 37 N 0.77 0.00 0.00 0.00 -0.00 0.31 -4.96 118.16 114.28 2kdm n LYS 37 Ca 0.16 -0.49 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 2kdm n LYS 37 Cb 0.40 -0.31 0.00 0.00 -0.00 0.00 0.00 35.03 35.12 2kdm n LYS 37 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2kdm n THR 38 N 0.00 0.00 -2.19 0.58 5.66 0.16 -4.97 114.28 113.52 2kdm n THR 38 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kdm n THR 38 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2kdm n THR 38 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2kdm n VAL 39 N 0.00 -0.01 -3.62 1.08 0.31 -1.16 -4.93 118.33 109.99 2kdm n VAL 39 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2kdm n VAL 39 Cb 0.00 -0.89 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 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 -4.38 0.53 0.00 5.55 2.56 -1.26 -5.03 118.70 116.67 2kdm s GLU 40 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 54.97 55.96 2kdm s GLU 40 Cb -0.00 0.21 0.00 0.00 2.00 0.00 0.00 34.13 36.34 2kdm s GLU 40 CO 0.00 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 2kdm n GLY 41 N 4.24 -2.13 3.34 -1.50 0.00 -1.26 -4.25 105.19 103.63 2kdm n GLY 41 Ca -0.18 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.83 4.56 0.11 1.61 1.01 0.34 -4.68 120.40 121.52 2kdm s VAL 42 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 2kdm s VAL 42 Cb 0.00 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 2kdm s VAL 42 CO 0.00 -0.38 1.42 0.26 0.00 0.00 0.00 175.10 176.40 2kdm s TRP 43 N 1.52 3.19 -0.05 5.22 0.52 -1.24 -2.56 118.94 125.54 2kdm s TRP 43 Ca 0.03 0.89 -0.17 0.00 0.02 0.00 0.00 56.10 56.87 2kdm s TRP 43 Cb -0.21 -3.72 0.03 0.00 -1.15 0.00 0.00 33.47 28.43 2kdm s TRP 43 CO 0.05 -2.54 0.38 0.95 0.02 0.00 0.00 176.95 175.81 2kdm s THR 44 N 1.21 0.04 -0.04 2.01 -4.23 0.70 -4.95 115.64 110.37 2kdm s THR 44 Ca 0.65 -0.31 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2kdm s THR 44 Cb -0.37 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 72.82 2kdm s THR 44 CO 0.30 -0.17 0.11 -0.47 -0.54 0.00 0.00 174.62 173.85 2kdm s TYR 45 N -0.98 -0.12 -0.19 3.99 6.14 -1.26 0.13 117.35 125.06 2kdm s TYR 45 Ca -0.10 0.30 0.01 0.00 0.64 0.00 0.00 57.07 57.92 2kdm s TYR 45 Cb -0.04 0.04 0.03 0.00 0.42 0.00 0.00 41.96 42.41 2kdm s TYR 45 CO 0.04 -0.06 -0.18 -1.59 0.64 0.00 0.00 175.55 174.40 2kdm s LYS 46 N 0.06 2.82 0.43 4.97 -2.85 -0.04 -4.97 119.74 120.16 2kdm s LYS 46 Ca -0.00 -0.87 0.29 0.00 -1.00 0.00 0.00 55.97 54.39 2kdm s LYS 46 Cb -0.01 -2.57 1.17 0.00 -2.06 0.00 0.00 37.83 34.36 2kdm s LYS 46 CO 0.00 -0.26 1.86 0.22 0.10 0.00 0.00 175.35 177.27 2kdm h ASP 47 N 7.93 0.00 -0.50 0.03 3.58 -1.96 -0.54 116.42 124.96 2kdm h ASP 47 Ca -0.42 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.18 2kdm h ASP 47 Cb 1.13 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2kdm h ASP 47 CO 0.61 0.00 0.36 -0.33 -2.88 0.00 0.00 179.24 177.00 2kdm h GLU 48 N 0.00 0.00 0.00 0.28 3.07 -1.97 -3.14 114.58 112.82 2kdm h GLU 48 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kdm h GLU 48 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2kdm h GLU 48 CO 0.00 0.00 -0.29 0.44 -1.40 0.00 0.00 179.01 177.76 2kdm n ILE 49 N -4.35 0.00 -3.32 3.13 -5.35 -1.15 -5.07 119.36 103.24 2kdm n ILE 49 Ca 0.09 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.30 2kdm n ILE 49 Cb 0.58 0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.92 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 0.00 -2.01 -3.68 6.28 4.76 -0.24 -4.75 118.16 118.52 2kdm n LYS 50 Ca 0.00 1.58 -0.12 0.00 -2.87 0.00 0.00 58.31 56.91 2kdm n LYS 50 Cb 0.62 -3.32 -0.09 0.00 -1.84 0.00 0.00 35.03 30.40 2kdm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kdm s THR 51 N -2.01 -0.01 0.25 -0.18 2.01 -1.00 -2.46 115.64 112.25 2kdm s THR 51 Ca 0.30 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.40 2kdm s THR 51 Cb -0.04 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2kdm s THR 51 CO 0.84 0.01 0.11 -0.36 -0.69 0.00 0.00 174.62 174.53 2kdm s PHE 52 N 0.76 2.93 -0.00 4.92 0.40 0.11 -0.86 117.98 126.24 2kdm s PHE 52 Ca -0.04 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 2kdm s PHE 52 Cb -0.05 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.17 2kdm s PHE 52 CO -0.06 0.56 0.20 0.99 0.70 0.00 0.00 175.22 177.62 2kdm s THR 53 N -2.19 0.07 -0.26 0.64 2.01 0.35 -0.35 115.64 115.91 2kdm s THR 53 Ca 0.32 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 2kdm s THR 53 Cb -0.07 -0.51 0.08 0.00 0.01 0.00 0.00 72.50 72.01 2kdm s THR 53 CO 0.23 -0.34 0.09 0.54 -0.69 0.00 0.00 174.62 174.44 2kdm s VAL 54 N -1.40 0.45 -0.25 3.82 0.11 -0.36 -0.22 120.40 122.56 2kdm s VAL 54 Ca -0.14 -0.89 -0.10 0.00 -2.93 0.00 0.00 61.98 57.92 2kdm s VAL 54 Cb -0.07 -1.21 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 2kdm s VAL 54 CO 0.02 -0.52 0.15 0.42 -3.33 0.00 0.00 175.10 171.85 2kdm s THR 55 N 1.86 5.23 -2.61 5.04 -4.23 -1.06 -1.99 115.64 117.88 2kdm s THR 55 Ca 0.06 0.14 0.21 0.00 -1.18 0.00 0.00 61.69 60.91 2kdm s THR 55 Cb -0.17 -3.45 0.17 0.00 1.34 0.00 0.00 72.50 70.39 2kdm s THR 55 CO -0.22 0.33 1.16 1.21 -0.54 0.00 0.00 174.62 176.56