#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 5.17 0.12 4.28 -1.32 -1.26 -2.25 115.64 120.38 2kdm s THR 2 Ca 0.00 0.10 0.10 0.00 -1.21 0.00 0.00 61.69 60.68 2kdm s THR 2 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.63 2kdm s THR 2 CO 0.00 0.48 -0.24 -0.31 -2.21 0.00 0.00 174.62 172.34 2kdm s TYR 3 N 0.07 2.38 0.07 9.09 1.51 -0.68 -4.69 117.35 125.09 2kdm s TYR 3 Ca 0.08 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2kdm s TYR 3 Cb -0.12 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2kdm s TYR 3 CO -0.00 0.34 -0.14 0.15 -1.11 0.00 0.00 175.55 174.78 2kdm s LYS 4 N -2.02 0.84 -0.04 -0.62 1.02 -1.03 -2.06 119.74 115.83 2kdm s LYS 4 Ca 0.15 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.19 2kdm s LYS 4 Cb -0.10 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2kdm s LYS 4 CO 0.07 0.19 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.41 2kdm s LEU 5 N -1.77 1.71 -0.31 3.17 2.96 0.34 0.14 118.68 124.92 2kdm s LEU 5 Ca -0.01 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2kdm s LEU 5 Cb -0.10 -0.65 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 2kdm s LEU 5 CO 0.02 0.05 0.14 -0.63 -1.32 0.00 0.00 176.35 174.62 2kdm s ILE 6 N 0.37 4.48 -0.20 6.68 1.09 -0.10 -1.04 121.20 132.49 2kdm s ILE 6 Ca -0.07 -0.49 -0.08 0.00 -1.10 0.00 0.00 60.65 58.91 2kdm s ILE 6 Cb -0.11 -3.30 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 2kdm s ILE 6 CO 0.01 0.05 0.07 -0.76 -0.10 0.00 0.00 174.94 174.22 2kdm s LEU 7 N 1.59 3.76 -0.32 2.97 1.43 -0.16 -0.66 118.68 127.29 2kdm s LEU 7 Ca 0.04 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2kdm s LEU 7 Cb -0.17 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.18 2kdm s LEU 7 CO 0.06 0.13 0.04 0.20 0.23 0.00 0.00 176.35 177.00 2kdm s ASN 8 N 0.64 4.59 0.54 2.29 0.02 -0.98 -2.40 114.94 119.65 2kdm s ASN 8 Ca 0.04 -1.97 0.04 0.00 -1.02 0.00 0.00 52.86 49.94 2kdm s ASN 8 Cb -0.13 -1.49 0.03 0.00 0.02 0.00 0.00 41.25 39.68 2kdm s ASN 8 CO 0.01 -0.36 0.28 -0.76 0.02 0.00 0.00 177.10 176.30 2kdm s LEU 9 N 1.05 2.52 -0.35 0.60 1.43 -1.26 -2.35 118.68 120.32 2kdm s LEU 9 Ca 0.08 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.75 2kdm s LEU 9 Cb -0.19 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.11 2kdm s LEU 9 CO -0.10 -1.07 2.56 0.29 0.23 0.00 0.00 176.35 178.26 2kdm n LYS 10 N -1.64 2.10 -2.65 1.70 5.02 -1.26 -4.46 118.16 116.97 2kdm n LYS 10 Ca -0.08 -1.86 -0.01 0.00 -2.02 0.00 0.00 58.31 54.34 2kdm n LYS 10 Cb 0.65 -1.90 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 2kdm n LYS 10 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kdm s GLN 11 N -1.44 0.01 0.40 1.97 0.74 -1.26 -5.14 119.66 114.93 2kdm s GLN 11 Ca 0.48 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.88 2kdm s GLN 11 Cb 0.32 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.43 2kdm s GLN 11 CO -0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 175.29 174.61 2kdm n ALA 12 N 2.83 -1.59 -2.42 1.58 0.00 -1.26 -4.90 120.51 114.75 2kdm n ALA 12 Ca 0.08 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 2kdm n ALA 12 Cb 0.66 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.80 4.27 0.04 0.00 2.20 -1.26 -4.31 119.74 115.89 2kdm s LYS 13 Ca 0.00 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.41 2kdm s LYS 13 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2kdm s LYS 13 CO 0.00 0.46 -0.22 -1.21 -0.36 0.00 0.00 175.35 174.01 2kdm s GLU 14 N -0.49 1.52 -0.11 4.03 2.02 -1.01 -5.05 118.70 119.61 2kdm s GLU 14 Ca 0.30 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.32 2kdm s GLU 14 Cb -0.19 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 32.41 2kdm s GLU 14 CO 0.18 0.42 -0.17 -1.21 0.02 0.00 0.00 175.26 174.50 2kdm s GLU 15 N -1.18 2.39 -0.09 1.61 2.02 -1.26 -0.98 118.70 121.20 2kdm s GLU 15 Ca 0.09 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 2kdm s GLU 15 Cb -0.09 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 2kdm s GLU 15 CO 0.02 -0.05 -0.05 0.00 0.02 0.00 0.00 175.26 175.20 2kdm s ALA 16 N 0.93 3.05 0.14 5.21 0.00 -0.21 -4.98 121.76 125.90 2kdm s ALA 16 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 2kdm s ALA 16 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2kdm s ALA 16 CO -0.01 0.52 0.37 0.96 0.00 0.00 0.00 175.76 177.60 2kdm s ILE 17 N -0.64 0.07 0.05 0.00 -4.36 -1.26 0.13 121.20 115.19 2kdm s ILE 17 Ca 0.10 -0.85 -0.28 0.00 -0.26 0.00 0.00 60.65 59.36 2kdm s ILE 17 Cb -0.12 -1.38 0.09 0.00 1.25 0.00 0.00 42.46 42.30 2kdm s ILE 17 CO 0.02 -0.33 1.01 -1.59 0.24 0.00 0.00 174.94 174.28 2kdm s LYS 18 N -3.85 0.89 -0.07 0.37 -2.85 -0.87 -5.02 119.74 108.32 2kdm s LYS 18 Ca 0.07 -0.44 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 2kdm s LYS 18 Cb 0.02 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2kdm s LYS 18 CO -0.08 -0.40 -0.14 -2.00 0.10 0.00 0.00 175.35 172.83 2kdm s GLU 19 N -3.04 1.88 0.33 1.78 2.12 -1.26 -1.69 118.70 118.81 2kdm s GLU 19 Ca 0.10 -0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.03 2kdm s GLU 19 Cb -0.00 -1.55 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2kdm s GLU 19 CO -0.03 0.02 0.27 0.00 -0.54 0.00 0.00 175.26 174.99 2kdm s ALA 20 N 0.70 1.87 -0.51 6.30 0.00 -0.95 -5.01 121.76 124.15 2kdm s ALA 20 Ca -0.14 -2.05 0.08 0.00 0.00 0.00 0.00 51.96 49.85 2kdm s ALA 20 Cb -0.16 1.47 0.50 0.00 0.00 0.00 0.00 23.12 24.93 2kdm s ALA 20 CO 0.03 -0.66 1.30 1.33 0.00 0.00 0.00 175.76 177.77 2kdm n VAL 21 N -0.62 1.77 -3.17 0.00 0.24 -1.26 -0.71 118.33 114.58 2kdm n VAL 21 Ca 0.07 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2kdm n VAL 21 Cb 0.62 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.31 0.00 -0.07 -1.34 8.00 -1.26 -4.80 116.55 117.39 2kdm n ASP 22 Ca 0.19 -0.55 -0.10 0.00 0.71 0.00 0.00 54.79 55.04 2kdm n ASP 22 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.72 -0.20 2.24 0.00 -1.26 -4.43 120.51 115.58 2kdm n ALA 23 Ca 0.00 -0.60 0.30 0.00 0.00 0.00 0.00 53.44 53.14 2kdm n ALA 23 Cb 0.00 0.19 0.73 0.00 0.00 0.00 0.00 19.45 20.36 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 0.97 0.00 2.00 0.00 0.00 -1.99 1.09 103.07 105.13 2kdm h GLY 24 Ca -0.32 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 2kdm h GLY 24 CO -0.06 0.00 -0.76 -0.84 0.00 0.00 0.00 176.54 174.87 2kdm h THR 25 N 0.00 1.54 -0.06 4.70 2.02 -1.99 -2.65 112.91 116.47 2kdm h THR 25 Ca 0.45 -2.63 -0.21 0.00 0.77 0.00 0.00 66.41 64.79 2kdm h THR 25 Cb 1.92 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 2kdm h THR 25 CO -0.00 0.75 -0.84 0.00 0.37 0.00 0.00 175.52 175.79 2kdm h ALA 26 N 1.24 0.42 -1.43 6.16 0.00 0.97 -2.59 119.26 124.04 2kdm h ALA 26 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2kdm h ALA 26 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kdm h ALA 26 CO 0.10 0.76 0.00 -1.91 0.00 0.00 0.00 179.25 178.20 2kdm n GLU 27 N -3.82 0.00 -0.42 0.00 2.13 -0.55 -0.20 120.64 117.78 2kdm n GLU 27 Ca -0.06 0.26 0.39 0.00 0.66 0.00 0.00 57.16 58.41 2kdm n GLU 27 Cb 0.77 -1.05 0.75 0.00 0.27 0.00 0.00 31.44 32.18 2kdm n GLU 27 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2kdm h LYS 28 N 0.00 0.02 0.08 5.31 5.09 -1.64 0.74 116.57 126.18 2kdm h LYS 28 Ca 0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.60 2kdm h LYS 28 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 32.23 32.34 2kdm h LYS 28 CO 0.00 0.02 -0.61 -0.92 -2.09 0.00 0.00 179.45 175.85 2kdm h TYR 29 N 0.02 0.45 -0.73 0.07 5.03 -1.51 -2.61 116.97 117.70 2kdm h TYR 29 Ca 0.66 -0.31 -0.04 0.00 2.58 0.00 0.00 58.73 61.62 2kdm h TYR 29 Cb 2.59 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 40.81 2kdm h TYR 29 CO -0.00 1.20 0.28 0.74 -1.32 0.00 0.00 178.16 179.06 2kdm h PHE 30 N -0.42 1.12 -0.97 -3.82 -1.00 0.29 -2.30 116.94 109.84 2kdm h PHE 30 Ca -0.10 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.60 2kdm h PHE 30 Cb 1.43 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 2kdm h PHE 30 CO 0.20 0.86 0.63 -0.22 -1.61 0.00 0.00 178.31 178.17 2kdm h LYS 31 N 1.05 1.29 -0.89 1.51 3.64 0.21 0.19 116.57 123.57 2kdm h LYS 31 Ca 0.24 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2kdm h LYS 31 Cb 0.23 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2kdm h LYS 31 CO -0.02 0.87 0.58 -0.07 -2.27 0.00 0.00 179.45 178.54 2kdm h LEU 32 N 1.32 1.03 -0.25 5.20 3.38 -1.01 0.83 115.31 125.81 2kdm h LEU 32 Ca 0.35 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 2kdm h LEU 32 Cb -0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 2kdm h LEU 32 CO -0.07 0.75 -0.83 -0.29 0.09 0.00 0.00 178.44 178.09 2kdm h ILE 33 N 1.21 1.54 0.04 1.22 6.09 -1.06 -2.68 117.51 123.87 2kdm h ILE 33 Ca 0.32 -2.89 -0.00 0.00 -1.37 0.00 0.00 64.86 60.92 2kdm h ILE 33 Cb -0.13 2.58 0.00 0.00 0.47 0.00 0.00 36.82 39.74 2kdm h ILE 33 CO -0.07 0.81 -0.02 0.00 -3.07 0.00 0.00 178.15 175.80 2kdm h ALA 34 N 1.17 -0.10 -0.33 0.18 0.00 -0.02 -1.69 119.26 118.47 2kdm h ALA 34 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2kdm h ALA 34 Cb 1.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2kdm h ALA 34 CO 0.11 -0.09 0.40 -0.91 0.00 0.00 0.00 179.25 178.75 2kdm h ASN 35 N -0.52 0.00 0.00 0.00 -0.26 0.53 1.25 115.58 116.58 2kdm h ASN 35 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2kdm h ASN 35 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2kdm h ASN 35 CO 0.01 0.00 -0.05 0.00 -1.06 0.00 0.00 177.43 176.32 2kdm h ALA 36 N 1.52 0.00 -0.01 -0.83 0.00 -1.58 -3.40 119.26 114.96 2kdm h ALA 36 Ca 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kdm h ALA 36 Cb 0.95 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kdm h ALA 36 CO -0.00 0.05 -0.47 1.57 0.00 0.00 0.00 179.25 180.40 2kdm h LYS 37 N -0.25 0.02 -5.39 0.00 5.09 -1.20 -3.45 116.57 111.38 2kdm h LYS 37 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 60.65 60.08 2kdm h LYS 37 Cb 0.05 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.27 2kdm h LYS 37 CO 0.00 0.48 -0.51 0.95 -2.09 0.00 0.00 179.45 178.29 2kdm s THR 38 N -3.97 1.41 -0.04 0.07 -4.23 0.43 -5.04 115.64 104.27 2kdm s THR 38 Ca -0.02 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2kdm s THR 38 Cb 0.14 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.68 2kdm s THR 38 CO 0.74 0.00 0.76 0.55 -0.54 0.00 0.00 174.62 176.13 2kdm n VAL 39 N -1.27 0.00 -3.43 2.29 3.14 -1.26 -4.05 118.33 113.76 2kdm n VAL 39 Ca -0.14 -0.12 0.02 0.00 -2.96 0.00 0.00 64.34 61.15 2kdm n VAL 39 Cb 0.67 0.42 -0.05 0.00 -1.06 0.00 0.00 33.84 33.82 2kdm n VAL 39 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2kdm s GLU 40 N 0.02 0.10 0.00 1.45 2.12 -1.26 -5.14 118.70 115.99 2kdm s GLU 40 Ca 0.01 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2kdm s GLU 40 Cb 0.05 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2kdm s GLU 40 CO -0.02 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2kdm n GLY 41 N 3.95 1.28 3.39 -1.50 0.00 -1.26 -4.02 105.19 107.03 2kdm n GLY 41 Ca -0.12 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 4.94 0.05 1.61 1.01 0.17 -4.67 120.40 121.50 2kdm s VAL 42 Ca 0.00 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 2kdm s VAL 42 Cb 0.00 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2kdm s VAL 42 CO 0.00 -0.41 1.43 0.26 0.00 0.00 0.00 175.10 176.37 2kdm s TRP 43 N 1.60 2.93 0.05 5.22 0.52 -1.24 -2.56 118.94 125.46 2kdm s TRP 43 Ca 0.04 0.80 -0.16 0.00 0.02 0.00 0.00 56.10 56.80 2kdm s TRP 43 Cb -0.21 -3.71 0.03 0.00 -1.15 0.00 0.00 33.47 28.43 2kdm s TRP 43 CO 0.07 -2.59 0.36 -0.08 0.02 0.00 0.00 176.95 174.72 2kdm s THR 44 N 1.98 0.07 -0.00 2.01 -1.32 0.44 -4.95 115.64 113.87 2kdm s THR 44 Ca 0.65 -0.58 -0.05 0.00 -1.21 0.00 0.00 61.69 60.51 2kdm s THR 44 Cb -0.34 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 69.68 2kdm s THR 44 CO 0.28 -0.32 0.10 -0.47 -2.21 0.00 0.00 174.62 172.00 2kdm s TYR 45 N -2.60 0.06 -0.04 9.09 6.14 -1.26 0.13 117.35 128.86 2kdm s TYR 45 Ca -0.05 -0.13 0.07 0.00 0.64 0.00 0.00 57.07 57.60 2kdm s TYR 45 Cb -0.01 -0.06 -0.02 0.00 0.42 0.00 0.00 41.96 42.30 2kdm s TYR 45 CO -0.03 -0.22 -0.25 0.15 0.64 0.00 0.00 175.55 175.84 2kdm s LYS 46 N -1.12 2.25 0.60 4.97 1.02 0.67 -4.98 119.74 123.15 2kdm s LYS 46 Ca -0.12 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 54.93 2kdm s LYS 46 Cb -0.07 -2.04 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2kdm s LYS 46 CO 0.01 0.46 0.88 0.34 -0.92 0.00 0.00 175.35 176.12 2kdm s ASP 47 N -0.39 5.37 0.00 2.83 2.15 -1.26 -2.62 116.67 122.75 2kdm s ASP 47 Ca 0.04 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2kdm s ASP 47 Cb -0.11 -1.39 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 2kdm s ASP 47 CO 0.01 -1.17 0.00 1.21 -0.17 0.00 0.00 175.17 175.05 2kdm n GLU 48 N -2.57 0.00 0.00 4.34 4.07 -1.26 -4.49 120.64 120.73 2kdm n GLU 48 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2kdm n GLU 48 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 2kdm n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2kdm n ILE 49 N 0.00 0.00 -2.74 6.31 5.41 -1.26 -5.08 119.36 121.99 2kdm n ILE 49 Ca 0.00 -0.18 -0.07 0.00 1.00 0.00 0.00 62.75 63.50 2kdm n ILE 49 Cb 0.00 0.67 0.01 0.00 -0.71 0.00 0.00 39.64 39.61 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kdm n LYS 50 N -1.15 -2.29 -3.73 0.38 4.01 -1.09 -4.76 118.16 109.54 2kdm n LYS 50 Ca 0.00 2.05 -0.13 0.00 -0.51 0.00 0.00 58.31 59.72 2kdm n LYS 50 Cb 0.00 -5.36 -0.10 0.00 -0.51 0.00 0.00 35.03 29.06 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 -2.43 0.01 0.32 -0.18 -4.23 -1.08 -2.46 115.64 105.60 2kdm s THR 51 Ca 0.22 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.77 2kdm s THR 51 Cb -0.06 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 2kdm s THR 51 CO 0.71 -0.03 0.02 -0.36 -0.54 0.00 0.00 174.62 174.43 2kdm s PHE 52 N 0.03 2.59 0.01 3.99 0.40 0.12 -0.23 117.98 124.88 2kdm s PHE 52 Ca -0.02 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 2kdm s PHE 52 Cb -0.03 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.07 2kdm s PHE 52 CO 0.01 0.49 0.19 0.99 0.70 0.00 0.00 175.22 177.61 2kdm s THR 53 N -2.47 0.08 -0.29 0.64 2.01 0.34 -0.92 115.64 115.03 2kdm s THR 53 Ca 0.34 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2kdm s THR 53 Cb -0.02 -0.58 0.10 0.00 0.01 0.00 0.00 72.50 72.01 2kdm s THR 53 CO 0.20 -0.37 0.11 0.54 -0.69 0.00 0.00 174.62 174.40 2kdm s VAL 54 N -1.61 0.44 -0.31 3.82 0.11 0.16 -0.42 120.40 122.60 2kdm s VAL 54 Ca -0.13 -1.07 -0.16 0.00 -2.93 0.00 0.00 61.98 57.69 2kdm s VAL 54 Cb -0.06 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 2kdm s VAL 54 CO 0.01 -0.67 0.43 -0.89 -3.33 0.00 0.00 175.10 170.65 2kdm s THR 55 N 1.84 5.11 -2.00 5.04 2.01 -1.06 -2.31 115.64 124.27 2kdm s THR 55 Ca 0.09 0.44 0.19 0.00 0.31 0.00 0.00 61.69 62.72 2kdm s THR 55 Cb -0.17 -3.82 0.54 0.00 0.01 0.00 0.00 72.50 69.07 2kdm s THR 55 CO -0.29 -0.01 1.53 -1.84 -0.69 0.00 0.00 174.62 173.31