#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 2.13 0.01 12.58 2.01 -1.26 -0.04 115.64 131.06 2kdm s THR 2 Ca 0.00 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.09 2kdm s THR 2 Cb 0.00 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2kdm s THR 2 CO 0.00 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.01 2kdm s TYR 3 N 0.73 1.36 0.06 4.92 1.51 -0.55 -4.25 117.35 121.13 2kdm s TYR 3 Ca -0.09 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 2kdm s TYR 3 Cb -0.16 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2kdm s TYR 3 CO 0.00 0.00 -0.11 0.15 -1.11 0.00 0.00 175.55 174.48 2kdm s LYS 4 N -0.63 0.69 -0.05 -0.62 3.01 -1.01 -1.70 119.74 119.44 2kdm s LYS 4 Ca 0.05 -0.88 0.02 0.00 -1.01 0.00 0.00 55.97 54.15 2kdm s LYS 4 Cb -0.07 -0.58 0.01 0.00 -1.01 0.00 0.00 37.83 36.19 2kdm s LYS 4 CO 0.00 0.12 -0.11 -1.17 0.51 0.00 0.00 175.35 174.70 2kdm s LEU 5 N -1.72 1.66 -0.36 3.17 2.96 0.32 -0.63 118.68 124.08 2kdm s LEU 5 Ca -0.05 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2kdm s LEU 5 Cb -0.10 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.91 2kdm s LEU 5 CO 0.01 0.04 0.13 -0.63 -1.32 0.00 0.00 176.35 174.59 2kdm s ILE 6 N 0.55 3.70 -0.17 6.68 1.09 0.10 -0.22 121.20 132.93 2kdm s ILE 6 Ca -0.11 -1.33 -0.15 0.00 -1.10 0.00 0.00 60.65 57.95 2kdm s ILE 6 Cb -0.14 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2kdm s ILE 6 CO 0.03 -0.30 0.37 -0.76 -0.10 0.00 0.00 174.94 174.18 2kdm s LEU 7 N 1.35 4.21 -0.31 2.97 1.43 -0.10 -0.88 118.68 127.36 2kdm s LEU 7 Ca -0.00 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2kdm s LEU 7 Cb -0.21 -2.49 0.09 0.00 0.03 0.00 0.00 46.19 43.62 2kdm s LEU 7 CO 0.01 0.01 0.06 0.21 0.23 0.00 0.00 176.35 176.87 2kdm s ASN 8 N 0.74 4.24 0.57 2.29 3.04 -0.37 -1.62 114.94 123.82 2kdm s ASN 8 Ca 0.19 -1.74 0.07 0.00 0.04 0.00 0.00 52.86 51.42 2kdm s ASN 8 Cb -0.14 -1.16 0.06 0.00 -1.54 0.00 0.00 41.25 38.48 2kdm s ASN 8 CO 0.07 -0.38 0.57 -1.48 -3.04 0.00 0.00 177.10 172.84 2kdm s LEU 9 N 1.35 2.82 -1.56 3.21 2.34 -0.79 -1.37 118.68 124.68 2kdm s LEU 9 Ca 0.08 -1.12 -0.10 0.00 0.06 0.00 0.00 54.13 53.06 2kdm s LEU 9 Cb -0.18 -1.31 -0.04 0.00 -0.56 0.00 0.00 46.19 44.10 2kdm s LEU 9 CO -0.17 -1.24 2.79 1.17 -1.06 0.00 0.00 176.35 177.85 2kdm n LYS 10 N -1.98 3.78 0.00 1.48 4.81 -1.26 -3.66 118.16 121.33 2kdm n LYS 10 Ca 0.05 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 55.03 2kdm n LYS 10 Cb 0.63 -2.82 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 1.04 1.17 0.00 0.00 177.40 179.61 2kdm n GLN 11 N 3.50 0.00 -0.77 1.64 1.13 -1.26 -5.16 117.38 116.45 2kdm n GLN 11 Ca 0.73 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 2kdm n GLN 11 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.60 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kdm n ALA 12 N -1.86 0.00 -2.92 -1.58 0.00 -1.24 -5.18 120.51 107.73 2kdm n ALA 12 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2kdm n ALA 12 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2kdm n ALA 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kdm s LYS 13 N -1.29 0.26 -0.03 0.00 0.00 -1.26 -1.88 119.74 115.54 2kdm s LYS 13 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 55.97 55.57 2kdm s LYS 13 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 37.83 37.82 2kdm s LYS 13 CO 0.00 -0.01 -0.08 -2.00 0.00 0.00 0.00 175.35 173.26 2kdm s GLU 14 N -0.95 1.01 -0.22 1.78 2.56 -0.64 -4.98 118.70 117.26 2kdm s GLU 14 Ca -0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 54.97 54.52 2kdm s GLU 14 Cb -0.06 -0.93 -0.04 0.00 2.00 0.00 0.00 34.13 35.09 2kdm s GLU 14 CO -0.00 0.07 0.08 -1.21 -0.56 0.00 0.00 175.26 173.63 2kdm s GLU 15 N 0.38 3.82 -0.13 4.30 2.02 -1.26 -0.92 118.70 126.90 2kdm s GLU 15 Ca -0.06 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 2kdm s GLU 15 Cb -0.10 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2kdm s GLU 15 CO 0.01 0.01 -0.05 0.00 0.02 0.00 0.00 175.26 175.25 2kdm s ALA 16 N 1.09 2.98 0.05 5.21 0.00 0.70 -4.94 121.76 126.86 2kdm s ALA 16 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2kdm s ALA 16 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2kdm s ALA 16 CO 0.03 0.30 -0.08 0.96 0.00 0.00 0.00 175.76 176.98 2kdm s ILE 17 N 0.08 0.59 -0.18 0.00 -0.00 -1.26 0.12 121.20 120.54 2kdm s ILE 17 Ca -0.01 -1.19 -0.29 0.00 -0.00 0.00 0.00 60.65 59.16 2kdm s ILE 17 Cb -0.14 -0.76 0.13 0.00 -0.00 0.00 0.00 42.46 41.69 2kdm s ILE 17 CO 0.03 -0.43 1.01 -0.75 -0.00 0.00 0.00 174.94 174.80 2kdm s LYS 18 N -1.85 0.57 -0.25 0.37 2.20 -0.69 -5.02 119.74 115.08 2kdm s LYS 18 Ca -0.07 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.71 2kdm s LYS 18 Cb -0.08 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2kdm s LYS 18 CO -0.00 -0.16 0.01 -2.00 -0.36 0.00 0.00 175.35 172.84 2kdm s GLU 19 N -0.87 3.34 0.06 4.03 2.12 -1.26 -1.48 118.70 124.64 2kdm s GLU 19 Ca -0.01 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 2kdm s GLU 19 Cb -0.01 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2kdm s GLU 19 CO 0.00 -0.26 -0.02 0.00 -0.54 0.00 0.00 175.26 174.43 2kdm s ALA 20 N 1.50 0.58 -0.52 6.30 0.00 0.94 -4.99 121.76 125.58 2kdm s ALA 20 Ca 0.05 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.84 2kdm s ALA 20 Cb -0.15 0.33 0.50 0.00 0.00 0.00 0.00 23.12 23.79 2kdm s ALA 20 CO -0.01 -0.37 1.29 1.33 0.00 0.00 0.00 175.76 178.00 2kdm n VAL 21 N 0.08 1.75 -2.75 0.00 0.24 -1.26 -1.88 118.33 114.50 2kdm n VAL 21 Ca -0.13 -0.88 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 2kdm n VAL 21 Cb 0.61 -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 -0.67 -2.14 0.00 0.00 176.83 174.02 2kdm n ASP 22 N 0.31 0.00 -0.03 -1.34 2.03 -1.26 -4.86 116.55 111.41 2kdm n ASP 22 Ca 0.19 -0.68 -0.04 0.00 0.52 0.00 0.00 54.79 54.78 2kdm n ASP 22 Cb 0.86 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.24 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdm n ALA 23 N -3.00 1.89 -0.31 -1.67 0.00 -1.26 -4.41 120.51 111.75 2kdm n ALA 23 Ca 0.00 -0.22 0.31 0.00 0.00 0.00 0.00 53.44 53.53 2kdm n ALA 23 Cb 0.00 0.37 0.69 0.00 0.00 0.00 0.00 19.45 20.51 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 0.41 0.32 1.76 0.00 0.00 -1.98 1.05 103.07 104.62 2kdm h GLY 24 Ca -0.12 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 2kdm h GLY 24 CO -0.02 -0.04 -1.01 -0.84 0.00 0.00 0.00 176.54 174.63 2kdm h THR 25 N 0.10 1.25 0.11 4.70 2.02 -1.99 -2.66 112.91 116.43 2kdm h THR 25 Ca 0.56 -2.86 -0.22 0.00 0.77 0.00 0.00 66.41 64.66 2kdm h THR 25 Cb 2.02 2.59 0.02 0.00 -1.74 0.00 0.00 68.15 71.05 2kdm h THR 25 CO -0.08 0.71 -0.92 0.00 0.37 0.00 0.00 175.52 175.60 2kdm h ALA 26 N 1.17 -0.04 0.63 6.16 0.00 0.61 -2.50 119.26 125.29 2kdm h ALA 26 Ca -0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 2kdm h ALA 26 Cb 1.68 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.57 2kdm h ALA 26 CO 0.10 0.47 -0.30 1.49 0.00 0.00 0.00 179.25 181.00 2kdm h GLU 27 N -0.11 -0.81 -0.97 0.00 4.81 0.01 0.28 114.58 117.78 2kdm h GLU 27 Ca -0.15 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2kdm h GLU 27 Cb 1.67 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 31.15 2kdm h GLU 27 CO 0.17 -0.50 0.60 0.87 -0.73 0.00 0.00 179.01 179.43 2kdm h LYS 28 N -1.12 0.93 0.00 1.92 1.79 -1.63 0.93 116.57 119.40 2kdm h LYS 28 Ca -0.09 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2kdm h LYS 28 Cb 0.69 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2kdm h LYS 28 CO 0.14 0.61 -0.00 -0.92 -1.08 0.00 0.00 179.45 178.20 2kdm h TYR 29 N 0.96 -0.00 -0.65 -1.35 5.03 -1.41 -2.23 116.97 117.32 2kdm h TYR 29 Ca 0.48 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.78 2kdm h TYR 29 Cb 0.47 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 2kdm h TYR 29 CO -0.02 0.42 0.37 0.74 -1.32 0.00 0.00 178.16 178.36 2kdm h PHE 30 N -0.43 0.87 -0.44 -3.82 0.04 0.21 -1.79 116.94 111.58 2kdm h PHE 30 Ca -0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2kdm h PHE 30 Cb 0.43 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2kdm h PHE 30 CO 0.07 0.60 0.29 -0.22 -0.60 0.00 0.00 178.31 178.46 2kdm h LYS 31 N 0.88 0.33 -0.31 1.51 3.64 0.91 0.47 116.57 124.00 2kdm h LYS 31 Ca 0.23 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 2kdm h LYS 31 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2kdm h LYS 31 CO -0.04 0.22 -0.44 -0.07 -2.27 0.00 0.00 179.45 176.85 2kdm h LEU 32 N 0.34 0.87 0.06 5.20 3.38 -0.69 -0.51 115.31 123.97 2kdm h LEU 32 Ca 0.19 -0.42 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 2kdm h LEU 32 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kdm h LEU 32 CO -0.04 1.18 -1.19 -0.29 0.09 0.00 0.00 178.44 178.19 2kdm h ILE 33 N 0.65 1.52 0.39 1.22 6.09 -0.94 -2.70 117.51 123.74 2kdm h ILE 33 Ca 0.04 -3.18 -0.02 0.00 -1.37 0.00 0.00 64.86 60.34 2kdm h ILE 33 Cb 1.02 2.86 0.00 0.00 0.47 0.00 0.00 36.82 41.16 2kdm h ILE 33 CO 0.10 0.90 -0.19 0.00 -3.07 0.00 0.00 178.15 175.89 2kdm h ALA 34 N 0.78 -0.61 -0.67 0.18 0.00 -0.08 -1.24 119.26 117.62 2kdm h ALA 34 Ca -0.10 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2kdm h ALA 34 Cb 1.89 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 2kdm h ALA 34 CO 0.16 -0.57 0.45 -0.97 0.00 0.00 0.00 179.25 178.32 2kdm h ASN 35 N -0.97 0.48 1.38 0.00 -0.00 -1.19 0.95 115.58 116.24 2kdm h ASN 35 Ca -0.05 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.22 2kdm h ASN 35 Cb 0.40 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.63 2kdm h ASN 35 CO 0.09 0.29 -0.18 0.00 -0.00 0.00 0.00 177.43 177.63 2kdm h ALA 36 N 1.66 0.93 0.02 1.57 0.00 -1.53 -3.27 119.26 118.64 2kdm h ALA 36 Ca 0.31 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.70 2kdm h ALA 36 Cb 0.50 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2kdm h ALA 36 CO -0.10 0.23 -2.19 1.63 0.00 0.00 0.00 179.25 178.82 2kdm n LYS 37 N -3.21 0.68 -4.10 0.00 5.02 0.15 -5.03 118.16 111.67 2kdm n LYS 37 Ca 0.02 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 2kdm n LYS 37 Cb 0.51 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2kdm n LYS 37 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kdm s THR 38 N -2.53 0.00 -0.10 -0.18 2.01 0.31 -5.07 115.64 110.07 2kdm s THR 38 Ca -0.15 -1.65 0.25 0.00 0.31 0.00 0.00 61.69 60.45 2kdm s THR 38 Cb 0.07 -2.46 0.46 0.00 0.01 0.00 0.00 72.50 70.58 2kdm s THR 38 CO 0.77 0.00 1.15 0.55 -0.69 0.00 0.00 174.62 176.40 2kdm n VAL 39 N -0.44 0.51 -3.65 3.82 3.14 -1.26 -3.84 118.33 116.61 2kdm n VAL 39 Ca 0.01 -1.77 0.01 0.00 -2.96 0.00 0.00 64.34 59.63 2kdm n VAL 39 Cb 0.63 1.12 -0.06 0.00 -1.06 0.00 0.00 33.84 34.47 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 -1.52 0.06 0.00 1.45 2.12 -1.26 -5.16 118.70 114.39 2kdm s GLU 40 Ca 0.31 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2kdm s GLU 40 Cb 0.36 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.77 2kdm s GLU 40 CO -0.12 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 2kdm n GLY 41 N 2.69 0.19 3.34 -1.50 0.00 -1.26 -4.19 105.19 104.46 2kdm n GLY 41 Ca -0.15 -1.04 -0.42 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 4.76 -0.68 1.61 1.01 0.33 -4.69 120.40 120.74 2kdm s VAL 42 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.53 2kdm s VAL 42 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2kdm s VAL 42 CO 0.00 -0.52 1.85 0.26 0.00 0.00 0.00 175.10 176.69 2kdm s TRP 43 N 1.54 1.72 0.25 5.22 0.52 -1.24 -2.58 118.94 124.38 2kdm s TRP 43 Ca 0.03 0.70 0.11 0.00 0.02 0.00 0.00 56.10 56.96 2kdm s TRP 43 Cb -0.23 -4.11 -0.05 0.00 -1.15 0.00 0.00 33.47 27.93 2kdm s TRP 43 CO 0.05 -2.19 -0.12 0.95 0.02 0.00 0.00 176.95 175.66 2kdm s THR 44 N 9.09 2.92 -0.01 2.01 -4.23 0.23 -4.92 115.64 120.74 2kdm s THR 44 Ca 0.66 -2.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2kdm s THR 44 Cb -0.11 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2kdm s THR 44 CO 0.16 -0.32 0.10 -0.47 -0.54 0.00 0.00 174.62 173.55 2kdm s TYR 45 N -2.25 0.02 -0.06 3.99 6.14 -1.26 0.14 117.35 124.08 2kdm s TYR 45 Ca 0.29 -0.04 0.05 0.00 0.64 0.00 0.00 57.07 58.00 2kdm s TYR 45 Cb -0.06 -0.04 -0.02 0.00 0.42 0.00 0.00 41.96 42.26 2kdm s TYR 45 CO 0.16 -0.19 -0.20 0.21 0.64 0.00 0.00 175.55 176.18 2kdm s LYS 46 N -0.88 2.56 -0.23 4.97 2.47 0.13 -4.97 119.74 123.79 2kdm s LYS 46 Ca -0.10 -0.80 -0.21 0.00 -1.56 0.00 0.00 55.97 53.31 2kdm s LYS 46 Cb -0.06 -2.28 -0.02 0.00 -1.46 0.00 0.00 37.83 34.01 2kdm s LYS 46 CO 0.01 0.48 0.63 -0.51 0.16 0.00 0.00 175.35 176.13 2kdm s ASP 47 N -0.39 6.63 0.00 1.43 1.01 -1.26 -2.86 116.67 121.23 2kdm s ASP 47 Ca 0.04 0.77 0.00 0.00 0.71 0.00 0.00 52.55 54.07 2kdm s ASP 47 Cb -0.12 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2kdm s ASP 47 CO 0.02 -0.33 0.00 -1.84 0.21 0.00 0.00 175.17 173.23 2kdm n GLU 48 N 5.43 0.00 -0.20 8.23 0.28 -1.26 -4.92 120.64 128.20 2kdm n GLU 48 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2kdm n GLU 48 Cb 0.49 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.46 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 1.29 -2.60 3.84 5.41 -1.26 -5.05 119.36 120.98 2kdm n ILE 49 Ca 0.00 -1.55 -0.00 0.00 1.00 0.00 0.00 62.75 62.20 2kdm n ILE 49 Cb 0.00 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 -0.98 -3.19 -3.88 0.38 4.01 -1.25 -4.38 118.16 108.87 2kdm n LYS 50 Ca 0.11 2.59 -0.11 0.00 -0.51 0.00 0.00 58.31 60.38 2kdm n LYS 50 Cb 0.66 -4.99 -0.12 0.00 -0.51 0.00 0.00 35.03 30.06 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 -1.49 0.04 0.16 -0.18 -1.32 -1.13 -2.41 115.64 109.31 2kdm s THR 51 Ca 0.00 -0.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.25 2kdm s THR 51 Cb -0.00 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 2kdm s THR 51 CO 0.71 -0.16 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.46 2kdm s PHE 52 N -0.49 1.55 0.00 9.09 0.40 0.20 0.19 117.98 128.91 2kdm s PHE 52 Ca -0.06 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.60 2kdm s PHE 52 Cb -0.04 -0.77 0.01 0.00 0.51 0.00 0.00 43.02 42.74 2kdm s PHE 52 CO 0.00 0.23 0.20 0.99 0.70 0.00 0.00 175.22 177.34 2kdm s THR 53 N -2.59 0.08 -0.28 0.64 2.01 0.38 -0.72 115.64 115.15 2kdm s THR 53 Ca 0.16 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 2kdm s THR 53 Cb -0.02 -0.55 0.09 0.00 0.01 0.00 0.00 72.50 72.02 2kdm s THR 53 CO 0.04 -0.36 0.06 0.54 -0.69 0.00 0.00 174.62 174.22 2kdm s VAL 54 N -1.53 1.02 -0.25 3.82 0.11 -0.06 0.76 120.40 124.27 2kdm s VAL 54 Ca -0.13 -1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 57.49 2kdm s VAL 54 Cb -0.06 -1.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2kdm s VAL 54 CO 0.02 -0.52 0.16 -0.89 -3.33 0.00 0.00 175.10 170.54 2kdm s THR 55 N 1.57 5.32 -2.85 5.04 2.01 -1.06 -1.24 115.64 124.43 2kdm s THR 55 Ca 0.06 0.17 0.25 0.00 0.31 0.00 0.00 61.69 62.48 2kdm s THR 55 Cb -0.18 -3.49 0.30 0.00 0.01 0.00 0.00 72.50 69.15 2kdm s THR 55 CO -0.19 0.33 1.41 -1.84 -0.69 0.00 0.00 174.62 173.65