#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 5.03 0.05 4.28 -1.32 -1.26 -2.27 115.64 120.14 2kdm s THR 2 Ca 0.00 -0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2kdm s THR 2 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 72.50 67.46 2kdm s THR 2 CO 0.00 0.13 0.14 -0.31 -2.21 0.00 0.00 174.62 172.37 2kdm s TYR 3 N 1.70 3.37 0.05 9.09 1.51 -0.84 -4.70 117.35 127.52 2kdm s TYR 3 Ca 0.06 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2kdm s TYR 3 Cb -0.17 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2kdm s TYR 3 CO 0.09 0.56 -0.10 0.15 -1.11 0.00 0.00 175.55 175.15 2kdm s LYS 4 N -2.31 0.62 -0.07 -0.62 1.02 -1.03 -2.24 119.74 115.12 2kdm s LYS 4 Ca 0.31 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.53 2kdm s LYS 4 Cb -0.13 -0.47 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 2kdm s LYS 4 CO 0.23 0.10 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.50 2kdm s LEU 5 N -1.52 1.45 -0.18 3.17 2.96 0.32 0.13 118.68 125.01 2kdm s LEU 5 Ca -0.07 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2kdm s LEU 5 Cb -0.09 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 2kdm s LEU 5 CO 0.01 -0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.33 2kdm s ILE 6 N 0.94 3.47 -0.14 6.68 1.09 0.31 -0.06 121.20 133.50 2kdm s ILE 6 Ca -0.10 -0.48 -0.02 0.00 -1.10 0.00 0.00 60.65 58.95 2kdm s ILE 6 Cb -0.15 -2.54 -0.02 0.00 -1.06 0.00 0.00 42.46 38.69 2kdm s ILE 6 CO 0.00 0.46 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.47 2kdm s LEU 7 N 0.95 3.04 -0.23 2.97 1.43 0.23 -0.20 118.68 126.87 2kdm s LEU 7 Ca -0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2kdm s LEU 7 Cb -0.15 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.43 2kdm s LEU 7 CO 0.01 0.19 -0.04 0.20 0.23 0.00 0.00 176.35 176.93 2kdm s ASN 8 N 0.24 3.70 0.53 2.29 0.01 -0.43 -2.32 114.94 118.95 2kdm s ASN 8 Ca -0.05 -1.12 0.04 0.00 -0.71 0.00 0.00 52.86 51.02 2kdm s ASN 8 Cb -0.14 -1.09 0.02 0.00 0.41 0.00 0.00 41.25 40.44 2kdm s ASN 8 CO 0.04 -0.24 0.26 -0.76 -1.51 0.00 0.00 177.10 174.88 2kdm s LEU 9 N 1.46 2.57 -0.62 0.60 1.43 -0.73 -2.12 118.68 121.27 2kdm s LEU 9 Ca -0.05 -1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 51.62 2kdm s LEU 9 Cb -0.19 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.05 2kdm s LEU 9 CO -0.06 -1.00 2.73 1.17 0.23 0.00 0.00 176.35 179.42 2kdm n LYS 10 N -1.57 2.86 0.00 1.70 4.81 -1.26 -3.97 118.16 120.72 2kdm n LYS 10 Ca -0.08 -2.52 0.00 0.00 -0.87 0.00 0.00 58.31 54.84 2kdm n LYS 10 Cb 0.65 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.46 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 1.14 0.00 -3.82 1.64 6.02 -1.26 -5.16 117.38 115.94 2kdm n GLN 11 Ca 0.52 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.42 2kdm n GLN 11 Cb 0.50 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.78 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdm s ALA 12 N -1.06 -0.84 0.04 -1.58 0.00 -1.25 -5.19 121.76 111.88 2kdm s ALA 12 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kdm s ALA 12 Cb 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2kdm s ALA 12 CO 0.00 -1.00 -0.04 -1.59 0.00 0.00 0.00 175.76 173.13 2kdm s LYS 13 N -2.51 0.47 -0.04 0.00 -2.85 -1.26 -1.77 119.74 111.79 2kdm s LYS 13 Ca 0.15 -0.88 -0.05 0.00 -1.00 0.00 0.00 55.97 54.20 2kdm s LYS 13 Cb -0.05 0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 2kdm s LYS 13 CO 0.11 -0.05 0.13 -1.21 0.10 0.00 0.00 175.35 174.42 2kdm s GLU 14 N -2.44 0.20 -0.14 1.78 0.41 -0.98 -4.99 118.70 112.53 2kdm s GLU 14 Ca -0.06 0.09 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 2kdm s GLU 14 Cb -0.03 0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.41 2kdm s GLU 14 CO -0.04 -0.03 -0.17 -1.21 -0.49 0.00 0.00 175.26 173.31 2kdm s GLU 15 N -0.15 3.17 -0.06 1.61 2.02 -1.26 -0.60 118.70 123.43 2kdm s GLU 15 Ca -0.02 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2kdm s GLU 15 Cb -0.02 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2kdm s GLU 15 CO 0.00 0.05 -0.05 0.00 0.02 0.00 0.00 175.26 175.29 2kdm s ALA 16 N 0.71 3.08 -0.03 5.21 0.00 0.92 -4.94 121.76 126.70 2kdm s ALA 16 Ca -0.08 -0.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2kdm s ALA 16 Cb -0.16 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.72 2kdm s ALA 16 CO 0.01 0.59 0.40 0.96 0.00 0.00 0.00 175.76 177.72 2kdm s ILE 17 N -0.87 0.04 -0.13 0.00 -4.36 -1.26 0.12 121.20 114.74 2kdm s ILE 17 Ca 0.14 -0.34 -0.30 0.00 -0.26 0.00 0.00 60.65 59.88 2kdm s ILE 17 Cb -0.11 -0.69 0.12 0.00 1.25 0.00 0.00 42.46 43.03 2kdm s ILE 17 CO 0.03 -0.19 0.99 -0.75 0.24 0.00 0.00 174.94 175.26 2kdm s LYS 18 N -1.20 0.62 -0.32 0.37 2.36 -0.95 -5.03 119.74 115.59 2kdm s LYS 18 Ca -0.12 0.04 -0.09 0.00 -2.55 0.00 0.00 55.97 53.24 2kdm s LYS 18 Cb -0.04 0.29 0.01 0.00 -1.05 0.00 0.00 37.83 37.04 2kdm s LYS 18 CO 0.05 -0.22 0.14 -2.00 1.55 0.00 0.00 175.35 174.88 2kdm s GLU 19 N -1.60 3.15 0.38 4.03 2.12 -1.26 -1.99 118.70 123.52 2kdm s GLU 19 Ca 0.00 -0.84 0.08 0.00 0.36 0.00 0.00 54.97 54.57 2kdm s GLU 19 Cb -0.01 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 2kdm s GLU 19 CO -0.01 -0.49 0.13 0.00 -0.54 0.00 0.00 175.26 174.36 2kdm s ALA 20 N 1.56 3.48 -0.48 6.30 0.00 -0.96 -4.97 121.76 126.69 2kdm s ALA 20 Ca 0.03 -2.02 0.09 0.00 0.00 0.00 0.00 51.96 50.06 2kdm s ALA 20 Cb -0.18 -0.45 0.54 0.00 0.00 0.00 0.00 23.12 23.04 2kdm s ALA 20 CO 0.05 -0.07 1.36 1.33 0.00 0.00 0.00 175.76 178.43 2kdm n VAL 21 N -1.16 1.90 0.00 0.00 0.24 -1.26 -2.04 118.33 116.01 2kdm n VAL 21 Ca -0.02 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 2kdm n VAL 21 Cb 0.63 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.34 0.00 0.00 -1.34 8.00 -1.26 -4.91 116.55 117.38 2kdm n ASP 22 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2kdm n ASP 22 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 -2.33 0.00 -0.25 2.24 0.00 -1.26 -4.82 120.51 114.09 2kdm n ALA 23 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.76 2kdm n ALA 23 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 0.00 1.94 0.00 0.00 -1.99 1.05 103.07 104.07 2kdm h GLY 24 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2kdm h GLY 24 CO 0.00 0.00 -0.81 -0.84 0.00 0.00 0.00 176.54 174.89 2kdm h THR 25 N 0.00 1.28 -0.04 4.70 2.02 -1.98 -2.66 112.91 116.23 2kdm h THR 25 Ca 0.50 -2.83 -0.26 0.00 0.77 0.00 0.00 66.41 64.60 2kdm h THR 25 Cb 2.12 2.63 0.02 0.00 -1.74 0.00 0.00 68.15 71.17 2kdm h THR 25 CO -0.01 0.73 -0.98 0.00 0.37 0.00 0.00 175.52 175.63 2kdm h ALA 26 N 1.23 0.18 0.57 6.16 0.00 0.69 -1.85 119.26 126.25 2kdm h ALA 26 Ca -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2kdm h ALA 26 Cb 1.60 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2kdm h ALA 26 CO 0.10 0.69 -0.27 1.49 0.00 0.00 0.00 179.25 181.26 2kdm h GLU 27 N 0.43 -0.74 -0.90 0.00 4.81 -1.17 0.38 114.58 117.38 2kdm h GLU 27 Ca -0.11 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2kdm h GLU 27 Cb 1.63 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 31.11 2kdm h GLU 27 CO 0.19 -0.49 0.58 0.87 -0.73 0.00 0.00 179.01 179.43 2kdm h LYS 28 N -1.21 0.82 -0.12 1.92 1.79 -1.61 0.74 116.57 118.91 2kdm h LYS 28 Ca -0.08 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 2kdm h LYS 28 Cb 0.59 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2kdm h LYS 28 CO 0.13 0.54 -0.44 -0.92 -1.08 0.00 0.00 179.45 177.68 2kdm h TYR 29 N 0.85 0.68 -0.70 -1.35 5.03 -1.35 -2.60 116.97 117.52 2kdm h TYR 29 Ca 0.43 -0.28 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 2kdm h TYR 29 Cb 0.50 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 2kdm h TYR 29 CO -0.00 1.05 0.33 0.74 -1.32 0.00 0.00 178.16 178.95 2kdm h PHE 30 N 0.12 1.01 -0.34 -3.82 -1.00 0.82 -2.02 116.94 111.71 2kdm h PHE 30 Ca -0.02 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.72 2kdm h PHE 30 Cb 1.08 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 2kdm h PHE 30 CO 0.11 0.76 0.23 -0.22 -1.61 0.00 0.00 178.31 177.57 2kdm h LYS 31 N 0.97 0.41 -0.23 1.51 3.64 0.47 0.21 116.57 123.55 2kdm h LYS 31 Ca 0.24 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 2kdm h LYS 31 Cb 0.13 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2kdm h LYS 31 CO -0.03 0.27 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.77 2kdm h LEU 32 N 0.42 0.85 -0.01 5.20 3.38 -0.97 -0.38 115.31 123.80 2kdm h LEU 32 Ca 0.13 -0.47 -0.25 0.00 0.09 0.00 0.00 57.88 57.38 2kdm h LEU 32 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2kdm h LEU 32 CO -0.03 1.24 -1.11 -0.29 0.09 0.00 0.00 178.44 178.35 2kdm h ILE 33 N 0.57 1.49 0.30 1.22 6.09 -0.97 -2.65 117.51 123.55 2kdm h ILE 33 Ca 0.00 -2.88 -0.01 0.00 -1.37 0.00 0.00 64.86 60.59 2kdm h ILE 33 Cb 1.18 2.75 0.00 0.00 0.47 0.00 0.00 36.82 41.22 2kdm h ILE 33 CO 0.12 0.84 -0.14 0.00 -3.07 0.00 0.00 178.15 175.90 2kdm h ALA 34 N 0.70 -0.46 -0.30 0.18 0.00 -0.62 -1.22 119.26 117.54 2kdm h ALA 34 Ca -0.10 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2kdm h ALA 34 Cb 1.80 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2kdm h ALA 34 CO 0.18 -0.43 0.26 -0.97 0.00 0.00 0.00 179.25 178.29 2kdm h ASN 35 N -0.94 0.00 1.14 0.00 -0.00 -1.16 1.09 115.58 115.71 2kdm h ASN 35 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 2kdm h ASN 35 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.63 2kdm h ASN 35 CO 0.07 0.00 -0.64 0.00 -0.00 0.00 0.00 177.43 176.86 2kdm h ALA 36 N 1.76 0.64 0.00 1.57 0.00 -1.52 -3.36 119.26 118.35 2kdm h ALA 36 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 2kdm h ALA 36 Cb 0.67 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kdm h ALA 36 CO -0.00 0.00 -2.16 1.63 0.00 0.00 0.00 179.25 178.72 2kdm n LYS 37 N -2.50 1.23 -4.02 0.00 4.76 0.29 -5.04 118.16 112.87 2kdm n LYS 37 Ca 0.02 -0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 2kdm n LYS 37 Cb 0.50 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 2kdm n LYS 37 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kdm s THR 38 N -2.41 0.00 -0.35 -0.18 -1.32 0.35 -5.06 115.64 106.67 2kdm s THR 38 Ca -0.09 -1.46 0.14 0.00 -1.21 0.00 0.00 61.69 59.07 2kdm s THR 38 Cb 0.05 -2.46 0.43 0.00 -1.51 0.00 0.00 72.50 69.01 2kdm s THR 38 CO 0.69 0.00 1.25 0.52 -2.21 0.00 0.00 174.62 174.86 2kdm n VAL 39 N -0.47 0.43 -3.18 5.08 0.31 -1.26 -3.80 118.33 115.43 2kdm n VAL 39 Ca -0.01 -2.02 0.04 0.00 -0.01 0.00 0.00 64.34 62.34 2kdm n VAL 39 Cb 0.62 0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 34.45 2kdm n VAL 39 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kdm s GLU 40 N -1.21 0.05 0.00 5.55 2.02 -1.26 -5.17 118.70 118.68 2kdm s GLU 40 Ca 0.22 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2kdm s GLU 40 Cb 0.42 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.72 2kdm s GLU 40 CO -0.05 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2kdm n GLY 41 N 4.80 0.57 3.44 -1.39 0.00 -1.26 -4.00 105.19 107.35 2kdm n GLY 41 Ca -0.07 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 4.87 -0.93 1.61 -7.23 0.37 -4.65 120.40 112.44 2kdm s VAL 42 Ca 0.00 -0.61 -0.24 0.00 -1.81 0.00 0.00 61.98 59.32 2kdm s VAL 42 Cb 0.00 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2kdm s VAL 42 CO 0.00 -0.16 1.83 0.26 -0.31 0.00 0.00 175.10 176.72 2kdm s TRP 43 N 1.63 1.98 0.14 2.82 0.52 -1.23 -2.66 118.94 122.14 2kdm s TRP 43 Ca 0.04 0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.49 2kdm s TRP 43 Cb -0.18 -4.20 -0.04 0.00 -1.15 0.00 0.00 33.47 27.89 2kdm s TRP 43 CO 0.08 -1.80 0.09 0.95 0.02 0.00 0.00 176.95 176.29 2kdm s THR 44 N 8.84 4.32 -0.01 2.01 -4.23 0.20 -4.88 115.64 121.88 2kdm s THR 44 Ca 0.64 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2kdm s THR 44 Cb -0.05 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2kdm s THR 44 CO -0.03 -0.04 0.10 -0.47 -0.54 0.00 0.00 174.62 173.64 2kdm s TYR 45 N -1.63 0.00 -0.01 3.99 6.14 -1.26 0.16 117.35 124.74 2kdm s TYR 45 Ca 0.29 -0.01 0.08 0.00 0.64 0.00 0.00 57.07 58.08 2kdm s TYR 45 Cb -0.10 -0.03 -0.02 0.00 0.42 0.00 0.00 41.96 42.22 2kdm s TYR 45 CO 0.22 -0.18 -0.25 0.21 0.64 0.00 0.00 175.55 176.19 2kdm s LYS 46 N -0.78 2.02 0.70 4.97 2.20 0.61 -4.98 119.74 124.48 2kdm s LYS 46 Ca -0.09 -0.94 -0.05 0.00 -0.36 0.00 0.00 55.97 54.54 2kdm s LYS 46 Cb -0.05 -1.98 0.08 0.00 -1.51 0.00 0.00 37.83 34.37 2kdm s LYS 46 CO 0.01 0.54 1.00 -0.51 -0.36 0.00 0.00 175.35 176.02 2kdm s ASP 47 N -0.70 4.63 0.00 1.43 1.11 -1.26 -2.56 116.67 119.32 2kdm s ASP 47 Ca 0.10 0.17 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2kdm s ASP 47 Cb -0.10 -0.75 0.00 0.00 1.07 0.00 0.00 42.92 43.14 2kdm s ASP 47 CO -0.01 -1.68 0.00 -0.62 1.18 0.00 0.00 175.17 174.04 2kdm n GLU 48 N -2.88 0.00 0.00 8.23 -0.58 -1.26 -4.40 120.64 119.75 2kdm n GLU 48 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 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 -0.89 -0.48 0.00 0.00 177.13 175.76 2kdm n ILE 49 N 0.00 0.00 -2.68 -3.67 5.41 -1.26 -5.08 119.36 112.08 2kdm n ILE 49 Ca 0.00 -0.12 -0.07 0.00 1.00 0.00 0.00 62.75 63.56 2kdm n ILE 49 Cb 0.00 0.60 0.01 0.00 -0.71 0.00 0.00 39.64 39.54 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 -1.26 -2.04 -3.75 0.38 4.76 -1.09 -4.73 118.16 110.42 2kdm n LYS 50 Ca 0.00 1.89 -0.13 0.00 -2.87 0.00 0.00 58.31 57.21 2kdm n LYS 50 Cb 0.00 -5.14 -0.11 0.00 -1.84 0.00 0.00 35.03 27.94 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 -2.42 -0.01 0.26 -0.18 2.01 -1.06 -2.45 115.64 111.79 2kdm s THR 51 Ca 0.21 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.33 2kdm s THR 51 Cb -0.06 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 2kdm s THR 51 CO 0.67 0.01 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.19 2kdm s PHE 52 N 0.41 2.59 -0.01 4.92 0.40 0.12 -0.28 117.98 126.12 2kdm s PHE 52 Ca -0.02 -0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 2kdm s PHE 52 Cb -0.04 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.35 2kdm s PHE 52 CO -0.02 0.64 0.21 0.99 0.70 0.00 0.00 175.22 177.73 2kdm s THR 53 N -2.32 0.07 -0.29 0.64 2.01 0.42 -0.53 115.64 115.63 2kdm s THR 53 Ca 0.30 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2kdm s THR 53 Cb -0.06 -0.48 0.09 0.00 0.01 0.00 0.00 72.50 72.05 2kdm s THR 53 CO 0.18 -0.30 0.03 0.54 -0.69 0.00 0.00 174.62 174.39 2kdm s VAL 54 N -1.19 1.53 -0.16 3.82 0.11 0.72 0.59 120.40 125.83 2kdm s VAL 54 Ca -0.13 -1.64 -0.04 0.00 -2.93 0.00 0.00 61.98 57.24 2kdm s VAL 54 Cb -0.06 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2kdm s VAL 54 CO 0.02 -0.47 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.41 2kdm s THR 55 N 1.32 3.98 -2.53 5.04 2.01 -1.09 -1.32 115.64 123.05 2kdm s THR 55 Ca 0.05 -0.32 0.28 0.00 0.31 0.00 0.00 61.69 62.00 2kdm s THR 55 Cb -0.18 -2.75 0.53 0.00 0.01 0.00 0.00 72.50 70.10 2kdm s THR 55 CO -0.13 0.49 1.72 1.21 -0.69 0.00 0.00 174.62 177.21