#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 1.09 0.30 4.28 -4.23 -1.26 -1.85 115.64 113.97 2kdm s THR 2 Ca 0.00 -1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 2kdm s THR 2 Cb 0.00 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.97 2kdm s THR 2 CO 0.00 -0.60 0.76 -0.31 -0.54 0.00 0.00 174.62 173.93 2kdm s TYR 3 N 1.52 3.45 0.07 3.99 1.51 -0.83 -4.76 117.35 122.29 2kdm s TYR 3 Ca 0.08 1.31 0.06 0.00 -1.01 0.00 0.00 57.07 57.51 2kdm s TYR 3 Cb -0.18 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 2kdm s TYR 3 CO -0.21 0.14 -0.16 0.15 -1.11 0.00 0.00 175.55 174.37 2kdm s LYS 4 N -2.70 0.93 -0.13 -0.62 1.02 -1.01 -2.33 119.74 114.90 2kdm s LYS 4 Ca 0.52 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 2kdm s LYS 4 Cb -0.12 -1.01 0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2kdm s LYS 4 CO 0.18 0.23 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.62 2kdm s LEU 5 N -1.64 1.30 -0.42 3.17 2.96 0.35 0.56 118.68 124.95 2kdm s LEU 5 Ca 0.01 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 2kdm s LEU 5 Cb -0.10 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.79 2kdm s LEU 5 CO 0.03 -0.16 0.41 -0.63 -1.32 0.00 0.00 176.35 174.67 2kdm s ILE 6 N 1.71 5.12 -0.20 6.68 -1.09 0.82 -0.99 121.20 133.26 2kdm s ILE 6 Ca 0.03 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 57.96 2kdm s ILE 6 Cb -0.14 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2kdm s ILE 6 CO -0.08 -0.40 0.09 -0.76 -1.23 0.00 0.00 174.94 172.57 2kdm s LEU 7 N 2.04 3.94 -0.29 2.97 1.43 -0.68 -0.39 118.68 127.69 2kdm s LEU 7 Ca 0.11 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2kdm s LEU 7 Cb -0.17 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.12 2kdm s LEU 7 CO 0.13 0.15 0.04 0.20 0.23 0.00 0.00 176.35 177.10 2kdm s ASN 8 N 0.52 4.13 0.53 2.29 0.02 -0.48 -2.00 114.94 119.96 2kdm s ASN 8 Ca 0.05 -1.62 0.09 0.00 -1.02 0.00 0.00 52.86 50.36 2kdm s ASN 8 Cb -0.12 -1.15 0.06 0.00 0.02 0.00 0.00 41.25 40.06 2kdm s ASN 8 CO 0.00 -0.35 0.67 -1.48 0.02 0.00 0.00 177.10 175.97 2kdm s LEU 9 N 1.37 3.19 0.63 0.60 2.34 -1.14 -1.37 118.68 124.30 2kdm s LEU 9 Ca 0.05 -0.80 0.32 0.00 0.06 0.00 0.00 54.13 53.76 2kdm s LEU 9 Cb -0.18 -1.82 1.78 0.00 -0.56 0.00 0.00 46.19 45.41 2kdm s LEU 9 CO -0.14 -1.15 2.07 0.07 -1.06 0.00 0.00 176.35 176.13 2kdm h LYS 10 N 0.40 0.00 -3.38 1.48 5.09 -1.96 -3.37 116.57 114.83 2kdm h LYS 10 Ca -0.33 0.00 -0.50 0.00 0.09 0.00 0.00 60.65 59.91 2kdm h LYS 10 Cb 1.29 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 33.21 2kdm h LYS 10 CO 0.45 0.00 -0.76 -1.14 -2.09 0.00 0.00 179.45 175.91 2kdm s GLN 11 N -4.34 0.45 0.27 0.07 0.74 -1.26 -5.10 119.66 110.49 2kdm s GLN 11 Ca -0.04 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2kdm s GLN 11 Cb 0.12 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.23 2kdm s GLN 11 CO 0.42 -0.65 0.00 0.00 -0.55 0.00 0.00 175.29 174.51 2kdm n ALA 12 N 5.13 -2.82 -2.93 1.58 0.00 -1.26 -4.97 120.51 115.24 2kdm n ALA 12 Ca -0.08 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 2kdm n ALA 12 Cb 0.48 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.11 0.28 -0.02 0.00 -2.85 -1.26 -2.89 119.74 110.89 2kdm s LYS 13 Ca 0.00 -0.48 0.08 0.00 -1.00 0.00 0.00 55.97 54.57 2kdm s LYS 13 Cb 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 2kdm s LYS 13 CO 0.00 -0.02 -0.26 -2.00 0.10 0.00 0.00 175.35 173.18 2kdm s GLU 14 N -1.09 2.15 -0.25 1.78 2.56 -0.84 -5.00 118.70 118.01 2kdm s GLU 14 Ca -0.11 -0.92 -0.07 0.00 0.00 0.00 0.00 54.97 53.87 2kdm s GLU 14 Cb -0.07 -2.06 -0.03 0.00 2.00 0.00 0.00 34.13 33.97 2kdm s GLU 14 CO -0.01 0.55 0.06 -1.21 -0.56 0.00 0.00 175.26 174.09 2kdm s GLU 15 N -0.58 3.64 -0.15 4.30 2.02 -1.26 -1.69 118.70 124.97 2kdm s GLU 15 Ca 0.09 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 2kdm s GLU 15 Cb -0.10 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2kdm s GLU 15 CO -0.01 -0.19 -0.05 0.00 0.02 0.00 0.00 175.26 175.04 2kdm s ALA 16 N 1.60 2.97 0.07 5.21 0.00 -0.16 -4.97 121.76 126.48 2kdm s ALA 16 Ca 0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2kdm s ALA 16 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2kdm s ALA 16 CO 0.03 0.25 0.02 0.96 0.00 0.00 0.00 175.76 177.03 2kdm s ILE 17 N 0.25 0.19 -0.15 0.00 -0.00 -1.26 0.13 121.20 120.36 2kdm s ILE 17 Ca -0.03 -1.71 -0.30 0.00 -0.00 0.00 0.00 60.65 58.60 2kdm s ILE 17 Cb -0.14 -1.57 0.13 0.00 -0.00 0.00 0.00 42.46 40.88 2kdm s ILE 17 CO 0.03 -0.86 0.99 -0.75 -0.00 0.00 0.00 174.94 174.36 2kdm s LYS 18 N -3.93 0.60 -0.31 0.37 2.47 -0.99 -5.03 119.74 112.92 2kdm s LYS 18 Ca 0.09 0.12 -0.11 0.00 -1.56 0.00 0.00 55.97 54.52 2kdm s LYS 18 Cb 0.07 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.71 2kdm s LYS 18 CO -0.08 -0.19 0.18 -1.21 0.16 0.00 0.00 175.35 174.20 2kdm s GLU 19 N -1.22 3.44 0.00 4.03 2.02 -1.26 -1.97 118.70 123.74 2kdm s GLU 19 Ca -0.01 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2kdm s GLU 19 Cb -0.00 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.59 2kdm s GLU 19 CO 0.01 -0.40 -0.01 0.00 0.02 0.00 0.00 175.26 174.88 2kdm s ALA 20 N 1.66 0.04 0.21 5.21 0.00 -0.77 -4.95 121.76 123.15 2kdm s ALA 20 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 2kdm s ALA 20 Cb -0.17 0.02 0.17 0.00 0.00 0.00 0.00 23.12 23.13 2kdm s ALA 20 CO 0.08 -0.02 1.88 -0.39 0.00 0.00 0.00 175.76 177.31 2kdm h VAL 21 N 5.07 1.18 -3.71 0.00 -1.51 -1.98 -1.20 116.25 114.10 2kdm h VAL 21 Ca -0.25 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2kdm h VAL 21 Cb 1.21 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2kdm h VAL 21 CO 0.50 0.18 0.00 -0.90 -1.23 0.00 0.00 177.57 176.12 2kdm n ASP 22 N -4.57 1.26 -0.11 4.19 5.75 -1.26 -4.26 116.55 117.55 2kdm n ASP 22 Ca 0.08 -0.71 -0.13 0.00 -0.01 0.00 0.00 54.79 54.01 2kdm n ASP 22 Cb 0.03 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.50 -0.31 2.12 0.00 -1.26 -4.23 120.51 115.34 2kdm n ALA 23 Ca 0.00 -1.14 0.29 0.00 0.00 0.00 0.00 53.44 52.59 2kdm n ALA 23 Cb 0.00 -0.11 0.65 0.00 0.00 0.00 0.00 19.45 19.99 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 2.76 0.52 2.00 0.00 0.00 -1.99 1.00 103.07 107.35 2kdm h GLY 24 Ca -0.53 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 46.55 2kdm h GLY 24 CO -0.03 -0.06 -0.79 -0.84 0.00 0.00 0.00 176.54 174.81 2kdm h THR 25 N 0.16 1.38 0.11 4.70 2.02 -1.98 -2.64 112.91 116.66 2kdm h THR 25 Ca 0.56 -2.92 -0.27 0.00 0.77 0.00 0.00 66.41 64.55 2kdm h THR 25 Cb 1.89 2.66 0.03 0.00 -1.74 0.00 0.00 68.15 70.98 2kdm h THR 25 CO -0.13 0.78 -1.13 0.00 0.37 0.00 0.00 175.52 175.41 2kdm h ALA 26 N 1.21 -0.01 0.59 6.16 0.00 0.61 -2.46 119.26 125.36 2kdm h ALA 26 Ca -0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2kdm h ALA 26 Cb 1.60 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2kdm h ALA 26 CO 0.10 0.61 -0.29 1.49 0.00 0.00 0.00 179.25 181.17 2kdm h GLU 27 N 0.16 -0.77 -0.97 0.00 4.81 -0.39 0.45 114.58 117.87 2kdm h GLU 27 Ca -0.17 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2kdm h GLU 27 Cb 1.82 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 31.31 2kdm h GLU 27 CO 0.22 -0.46 0.62 0.87 -0.73 0.00 0.00 179.01 179.53 2kdm h LYS 28 N -1.07 0.98 -0.14 1.92 1.79 -1.61 0.66 116.57 119.09 2kdm h LYS 28 Ca -0.08 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.22 2kdm h LYS 28 Cb 0.67 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2kdm h LYS 28 CO 0.13 0.65 -0.34 -0.92 -1.08 0.00 0.00 179.45 177.89 2kdm h TYR 29 N 1.00 0.61 -0.52 -1.35 5.03 -1.40 -2.61 116.97 117.75 2kdm h TYR 29 Ca 0.46 -0.23 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 2kdm h TYR 29 Cb 0.40 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 2kdm h TYR 29 CO -0.00 0.96 0.23 0.74 -1.32 0.00 0.00 178.16 178.77 2kdm h PHE 30 N 0.09 0.76 -0.58 -3.82 -1.00 0.62 -2.14 116.94 110.87 2kdm h PHE 30 Ca -0.00 -0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.80 2kdm h PHE 30 Cb 0.95 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.24 2kdm h PHE 30 CO 0.10 0.61 0.39 -0.22 -1.61 0.00 0.00 178.31 177.58 2kdm h LYS 31 N 0.69 0.51 -0.38 1.51 3.11 0.30 0.68 116.57 122.99 2kdm h LYS 31 Ca 0.18 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.85 2kdm h LYS 31 Cb 0.15 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2kdm h LYS 31 CO -0.02 0.34 -0.31 -0.07 -2.81 0.00 0.00 179.45 176.57 2kdm h LEU 32 N 0.52 0.88 0.13 5.20 3.38 -0.99 -1.31 115.31 123.11 2kdm h LEU 32 Ca 0.25 -0.37 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 2kdm h LEU 32 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kdm h LEU 32 CO -0.07 1.12 -1.37 -0.29 0.09 0.00 0.00 178.44 177.92 2kdm h ILE 33 N 0.71 1.35 0.47 1.22 6.09 -0.90 -2.69 117.51 123.77 2kdm h ILE 33 Ca 0.08 -2.95 -0.02 0.00 -1.37 0.00 0.00 64.86 60.60 2kdm h ILE 33 Cb 0.87 2.87 0.00 0.00 0.47 0.00 0.00 36.82 41.04 2kdm h ILE 33 CO 0.08 0.86 -0.22 0.00 -3.07 0.00 0.00 178.15 175.79 2kdm h ALA 34 N 0.54 -0.94 -0.60 0.18 0.00 0.34 0.23 119.26 119.00 2kdm h ALA 34 Ca -0.18 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2kdm h ALA 34 Cb 2.00 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.99 2kdm h ALA 34 CO 0.19 -0.89 0.40 -0.91 0.00 0.00 0.00 179.25 178.04 2kdm h ASN 35 N -0.77 0.51 0.54 0.00 -0.26 -1.28 1.03 115.58 115.35 2kdm h ASN 35 Ca -0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 2kdm h ASN 35 Cb 0.48 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2kdm h ASN 35 CO 0.11 0.33 -0.26 0.00 -1.06 0.00 0.00 177.43 176.55 2kdm h ALA 36 N 1.67 -0.73 -0.41 -0.83 0.00 -1.45 -3.22 119.26 114.29 2kdm h ALA 36 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kdm h ALA 36 Cb 0.29 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kdm h ALA 36 CO -0.08 -0.74 0.00 0.36 0.00 0.00 0.00 179.25 178.80 2kdm n LYS 37 N -5.28 3.48 -3.58 0.00 2.85 0.06 -4.88 118.16 110.81 2kdm n LYS 37 Ca -0.11 -2.11 -0.14 0.00 -1.05 0.00 0.00 58.31 54.91 2kdm n LYS 37 Cb 0.32 -1.95 -0.06 0.00 -0.65 0.00 0.00 35.03 32.69 2kdm n LYS 37 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2kdm s THR 38 N -2.09 0.00 -0.00 0.58 2.01 0.35 -4.98 115.64 111.51 2kdm s THR 38 Ca 0.37 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.61 2kdm s THR 38 Cb 0.27 -1.00 0.39 0.00 0.01 0.00 0.00 72.50 72.17 2kdm s THR 38 CO 0.12 0.00 1.16 0.52 -0.69 0.00 0.00 174.62 175.73 2kdm n VAL 39 N 1.49 0.01 -3.50 3.82 0.31 -1.26 -3.56 118.33 115.64 2kdm n VAL 39 Ca -0.15 -0.92 0.03 0.00 -0.01 0.00 0.00 64.34 63.29 2kdm n VAL 39 Cb 0.57 0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 34.39 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 -0.01 0.03 0.00 5.55 2.12 -1.26 -5.15 118.70 119.97 2kdm s GLU 40 Ca 0.31 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.69 2kdm s GLU 40 Cb 0.36 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2kdm s GLU 40 CO -0.16 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2kdm n GLY 41 N 3.51 1.04 3.34 -1.50 0.00 -1.26 -4.07 105.19 106.26 2kdm n GLY 41 Ca -0.14 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2kdm n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdm s VAL 42 N -2.00 4.25 0.13 1.61 -7.23 0.43 -4.68 120.40 112.91 2kdm s VAL 42 Ca 0.00 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 2kdm s VAL 42 Cb 0.00 -3.35 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 2kdm s VAL 42 CO 0.00 -0.16 1.46 0.26 -0.31 0.00 0.00 175.10 176.34 2kdm s TRP 43 N 1.50 3.18 0.09 2.82 0.52 -1.24 -2.66 118.94 123.15 2kdm s TRP 43 Ca 0.01 0.83 -0.14 0.00 0.02 0.00 0.00 56.10 56.82 2kdm s TRP 43 Cb -0.19 -3.77 0.02 0.00 -1.15 0.00 0.00 33.47 28.38 2kdm s TRP 43 CO 0.05 -2.77 0.33 0.95 0.02 0.00 0.00 176.95 175.53 2kdm s THR 44 N 1.11 0.09 -0.05 2.01 -4.23 0.16 -4.94 115.64 109.79 2kdm s THR 44 Ca 0.67 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 2kdm s THR 44 Cb -0.39 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2kdm s THR 44 CO 0.31 -0.41 0.12 -0.47 -0.54 0.00 0.00 174.62 173.63 2kdm s TYR 45 N -3.50 -0.13 -0.15 3.99 6.14 -1.26 0.15 117.35 122.59 2kdm s TYR 45 Ca 0.01 0.34 -0.04 0.00 0.64 0.00 0.00 57.07 58.02 2kdm s TYR 45 Cb 0.02 0.03 -0.03 0.00 0.42 0.00 0.00 41.96 42.40 2kdm s TYR 45 CO -0.10 -0.07 0.00 0.15 0.64 0.00 0.00 175.55 176.17 2kdm s LYS 46 N 0.17 3.59 -0.27 4.97 1.02 0.28 -4.97 119.74 124.53 2kdm s LYS 46 Ca -0.01 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2kdm s LYS 46 Cb -0.02 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2kdm s LYS 46 CO -0.00 0.37 0.70 0.34 -0.92 0.00 0.00 175.35 175.84 2kdm s ASP 47 N 0.03 6.63 0.00 2.83 2.15 -1.26 -2.83 116.67 124.23 2kdm s ASP 47 Ca 0.02 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.73 2kdm s ASP 47 Cb -0.13 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2kdm s ASP 47 CO 0.02 -0.46 0.00 -1.84 -0.17 0.00 0.00 175.17 172.72 2kdm n GLU 48 N 5.89 0.00 -0.09 4.34 0.28 -1.26 -4.91 120.64 124.88 2kdm n GLU 48 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 2kdm n GLU 48 Cb 0.48 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.45 2kdm n GLU 48 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2kdm n ILE 49 N 0.00 1.49 -2.69 3.84 -6.64 -1.26 -5.05 119.36 109.05 2kdm n ILE 49 Ca 0.00 -1.74 -0.02 0.00 -1.77 0.00 0.00 62.75 59.21 2kdm n ILE 49 Cb 0.00 0.01 0.00 0.00 -1.44 0.00 0.00 39.64 38.22 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2kdm n LYS 50 N -1.08 -3.06 -3.85 6.28 4.01 -1.25 -4.61 118.16 114.60 2kdm n LYS 50 Ca 0.11 2.52 -0.12 0.00 -0.51 0.00 0.00 58.31 60.31 2kdm n LYS 50 Cb 0.56 -5.28 -0.13 0.00 -0.51 0.00 0.00 35.03 29.67 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 -1.83 0.01 0.29 -0.18 -1.32 -1.13 -2.39 115.64 109.10 2kdm s THR 51 Ca 0.07 -0.12 0.11 0.00 -1.21 0.00 0.00 61.69 60.54 2kdm s THR 51 Cb -0.02 -0.19 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 2kdm s THR 51 CO 0.75 -0.07 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.56 2kdm s PHE 52 N -0.17 2.29 -0.02 9.09 0.40 0.19 0.98 117.98 130.75 2kdm s PHE 52 Ca -0.02 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 2kdm s PHE 52 Cb -0.02 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.44 2kdm s PHE 52 CO 0.00 0.67 0.21 0.99 0.70 0.00 0.00 175.22 177.79 2kdm s THR 53 N -2.56 0.06 -0.25 0.64 2.01 0.39 -0.13 115.64 115.81 2kdm s THR 53 Ca 0.30 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2kdm s THR 53 Cb -0.03 -0.48 0.08 0.00 0.01 0.00 0.00 72.50 72.08 2kdm s THR 53 CO 0.15 -0.29 0.08 0.54 -0.69 0.00 0.00 174.62 174.42 2kdm s VAL 54 N -1.16 0.42 -0.13 3.82 0.11 0.47 0.37 120.40 124.31 2kdm s VAL 54 Ca -0.12 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 2kdm s VAL 54 Cb -0.06 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2kdm s VAL 54 CO 0.02 -0.49 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.36 2kdm s THR 55 N 1.87 3.77 -2.40 5.04 2.01 -1.09 -1.38 115.64 123.46 2kdm s THR 55 Ca 0.05 -0.42 0.29 0.00 0.31 0.00 0.00 61.69 61.92 2kdm s THR 55 Cb -0.17 -2.61 0.62 0.00 0.01 0.00 0.00 72.50 70.36 2kdm s THR 55 CO -0.21 0.53 1.84 1.21 -0.69 0.00 0.00 174.62 177.31