#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm0 s PRO 2 N 0.00 3.11 0.45 -2.82 0.04 -1.26 -4.69 135.00 129.83 1dm0 s PRO 2 Ca 0.00 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.54 1dm0 s PRO 2 Cb 0.00 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1dm0 s PRO 2 CO 0.00 -0.91 1.13 -0.51 0.04 0.00 0.00 177.00 176.75 1dm0 s ASP 3 N -4.09 6.30 0.04 6.66 1.11 -1.26 0.27 116.67 125.69 1dm0 s ASP 3 Ca 0.57 2.22 0.00 0.00 0.18 0.00 0.00 52.55 55.52 1dm0 s ASP 3 Cb -0.12 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1dm0 s ASP 3 CO 0.54 -0.82 0.00 0.00 1.18 0.00 0.00 175.17 176.06 1dm0 s VAL 5 N -1.37 0.07 0.03 0.00 -7.23 -1.17 -5.02 120.40 105.69 1dm0 s VAL 5 Ca 0.00 -0.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 1dm0 s VAL 5 Cb 0.00 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 1dm0 s VAL 5 CO 0.00 -0.32 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.36 1dm0 s THR 6 N -0.94 1.74 -3.70 5.32 2.01 -1.26 -1.66 115.64 117.14 1dm0 s THR 6 Ca -0.10 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.76 1dm0 s THR 6 Cb -0.06 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.96 1dm0 s THR 6 CO -0.01 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 1dm0 n GLY 7 N 2.05 -0.64 3.90 4.40 0.00 -0.58 -4.78 105.19 109.54 1dm0 n GLY 7 Ca -0.17 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1dm0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm0 s LYS 8 N -1.48 3.54 -0.40 1.61 1.02 -1.26 -0.05 119.74 122.72 1dm0 s LYS 8 Ca 0.00 -0.21 -0.28 0.00 0.02 0.00 0.00 55.97 55.50 1dm0 s LYS 8 Cb 0.00 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1dm0 s LYS 8 CO 0.00 0.59 1.65 0.08 -0.92 0.00 0.00 175.35 176.75 1dm0 s VAL 9 N -1.46 3.63 0.02 3.17 1.01 -1.26 -3.99 120.40 121.52 1dm0 s VAL 9 Ca 0.33 0.62 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 1dm0 s VAL 9 Cb -0.13 -3.91 -0.17 0.00 0.00 0.00 0.00 36.38 32.18 1dm0 s VAL 9 CO 0.22 -0.62 1.30 -0.08 0.00 0.00 0.00 175.10 175.92 1dm0 h GLU 10 N 12.20 -0.50 -2.64 2.72 4.81 -0.43 -3.47 114.58 127.26 1dm0 h GLU 10 Ca -0.30 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1dm0 h GLU 10 Cb 1.14 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 1dm0 h GLU 10 CO 1.07 -0.20 0.00 1.52 -0.73 0.00 0.00 179.01 180.68 1dm0 s TYR 11 N -4.93 -0.42 -0.01 0.92 -0.85 -1.24 -5.00 117.35 105.83 1dm0 s TYR 11 Ca -0.15 0.58 0.06 0.00 -0.52 0.00 0.00 57.07 57.05 1dm0 s TYR 11 Cb 0.02 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 1dm0 s TYR 11 CO 0.55 -0.58 -0.20 0.95 -1.52 0.00 0.00 175.55 174.75 1dm0 s THR 12 N -1.91 1.59 -0.05 -3.49 -4.23 -1.26 -0.80 115.64 105.49 1dm0 s THR 12 Ca -0.08 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1dm0 s THR 12 Cb -0.01 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1dm0 s THR 12 CO 0.02 0.41 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.70 1dm0 s LYS 13 N -0.57 1.05 -0.38 3.99 2.20 0.56 -4.98 119.74 121.61 1dm0 s LYS 13 Ca 0.08 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.33 1dm0 s LYS 13 Cb -0.08 -0.98 0.01 0.00 -1.51 0.00 0.00 37.83 35.27 1dm0 s LYS 13 CO -0.00 -0.05 0.41 -0.47 -0.36 0.00 0.00 175.35 174.88 1dm0 s TYR 14 N 0.84 3.19 0.58 4.03 6.14 -1.26 -0.86 117.35 130.01 1dm0 s TYR 14 Ca -0.12 -0.20 -0.08 0.00 0.64 0.00 0.00 57.07 57.31 1dm0 s TYR 14 Cb -0.15 -2.81 -0.02 0.00 0.42 0.00 0.00 41.96 39.40 1dm0 s TYR 14 CO 0.01 -0.58 0.94 -0.80 0.64 0.00 0.00 175.55 175.75 1dm0 s ASN 15 N 1.78 6.03 0.24 4.32 0.01 -0.51 -4.95 114.94 121.86 1dm0 s ASN 15 Ca 0.12 1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 53.33 1dm0 s ASN 15 Cb -0.17 -2.20 0.41 0.00 0.41 0.00 0.00 41.25 39.70 1dm0 s ASN 15 CO 0.13 -0.87 1.78 -0.78 -1.51 0.00 0.00 177.10 175.85 1dm0 h ASP 16 N -0.16 0.51 -0.00 -1.22 3.58 -1.97 0.11 116.42 117.27 1dm0 h ASP 16 Ca -0.45 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1dm0 h ASP 16 Cb 1.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1dm0 h ASP 16 CO 0.62 0.27 0.00 -0.90 -2.88 0.00 0.00 179.24 176.35 1dm0 n ASP 17 N -4.85 0.12 -1.03 2.28 5.68 -1.26 -4.91 116.55 112.58 1dm0 n ASP 17 Ca 0.13 -1.13 -0.04 0.00 -0.50 0.00 0.00 54.79 53.24 1dm0 n ASP 17 Cb 0.32 -0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.32 1dm0 n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1dm0 n ASP 18 N -0.86 -2.76 -4.56 -1.12 8.00 0.36 -5.08 116.55 110.54 1dm0 n ASP 18 Ca 0.21 -0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 1dm0 n ASP 18 Cb 0.12 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.12 39.77 1dm0 n ASP 18 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dm0 s THR 19 N -2.99 2.82 -0.09 -3.53 -4.23 -1.26 -4.87 115.64 101.49 1dm0 s THR 19 Ca 0.10 -2.16 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1dm0 s THR 19 Cb -0.04 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1dm0 s THR 19 CO 0.13 -0.35 -0.22 0.12 -0.54 0.00 0.00 174.62 173.76 1dm0 s PHE 20 N -2.45 2.58 -0.11 3.99 5.36 0.55 -1.43 117.98 126.47 1dm0 s PHE 20 Ca 0.31 -0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 1dm0 s PHE 20 Cb -0.04 -1.70 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 1dm0 s PHE 20 CO 0.17 -0.29 -0.07 0.99 -1.46 0.00 0.00 175.22 174.56 1dm0 s THR 21 N 0.14 3.67 0.11 0.12 2.01 -0.04 -0.72 115.64 120.93 1dm0 s THR 21 Ca -0.12 -0.46 0.10 0.00 0.31 0.00 0.00 61.69 61.52 1dm0 s THR 21 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1dm0 s THR 21 CO 0.06 0.55 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.60 1dm0 s VAL 22 N -0.24 2.11 -0.32 3.82 1.01 0.12 -0.32 120.40 126.57 1dm0 s VAL 22 Ca 0.03 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.41 1dm0 s VAL 22 Cb -0.13 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.48 1dm0 s VAL 22 CO 0.03 0.11 0.02 -0.75 0.00 0.00 0.00 175.10 174.50 1dm0 s LYS 23 N -1.87 1.59 -0.30 2.72 2.20 0.02 -1.11 119.74 123.00 1dm0 s LYS 23 Ca 0.12 -1.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1dm0 s LYS 23 Cb -0.10 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.22 1dm0 s LYS 23 CO 0.05 -0.86 -0.02 0.08 -0.36 0.00 0.00 175.35 174.24 1dm0 s VAL 24 N 0.99 2.67 0.00 4.02 1.01 -1.13 0.41 120.40 128.38 1dm0 s VAL 24 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1dm0 s VAL 24 Cb -0.19 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1dm0 s VAL 24 CO -0.08 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1dm0 n GLY 25 N 4.52 0.58 0.87 4.51 0.00 -1.26 -3.87 105.19 110.55 1dm0 n GLY 25 Ca -0.11 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1dm0 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dm0 n ASP 26 N 3.59 3.16 -4.64 1.61 5.75 -1.26 -4.93 116.55 119.84 1dm0 n ASP 26 Ca 0.00 -1.95 -0.28 0.00 -0.01 0.00 0.00 54.79 52.55 1dm0 n ASP 26 Cb 0.00 -0.28 -0.09 0.00 -1.03 0.00 0.00 41.12 39.73 1dm0 n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1dm0 s LYS 27 N -1.05 2.33 -0.34 0.11 -0.14 -1.25 -4.92 119.74 114.48 1dm0 s LYS 27 Ca 0.31 -1.03 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 1dm0 s LYS 27 Cb 0.17 -2.37 0.10 0.00 -1.68 0.00 0.00 37.83 34.04 1dm0 s LYS 27 CO 0.22 0.49 0.05 -2.00 -0.76 0.00 0.00 175.35 173.35 1dm0 s GLU 28 N -2.56 1.44 0.37 1.68 2.12 -1.26 -2.82 118.70 117.67 1dm0 s GLU 28 Ca 0.25 -1.80 0.08 0.00 0.36 0.00 0.00 54.97 53.86 1dm0 s GLU 28 Cb -0.10 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1dm0 s GLU 28 CO 0.17 -0.93 0.26 -0.51 -0.54 0.00 0.00 175.26 173.70 1dm0 s LEU 29 N 0.96 3.37 0.12 2.70 1.43 -0.27 -1.55 118.68 125.46 1dm0 s LEU 29 Ca 0.10 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1dm0 s LEU 29 Cb -0.19 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1dm0 s LEU 29 CO -0.09 -0.45 0.07 0.72 0.23 0.00 0.00 176.35 176.83 1dm0 s PHE 30 N -2.43 0.74 -0.01 0.29 -0.71 -0.84 0.11 117.98 115.14 1dm0 s PHE 30 Ca 0.42 -1.14 -0.09 0.00 -1.04 0.00 0.00 56.93 55.08 1dm0 s PHE 30 Cb -0.03 -0.41 0.01 0.00 -1.21 0.00 0.00 43.02 41.38 1dm0 s PHE 30 CO 0.25 -0.52 0.18 -0.08 -1.34 0.00 0.00 175.22 173.72 1dm0 s THR 31 N -4.02 0.07 -0.28 -4.49 -1.32 0.10 0.13 115.64 105.83 1dm0 s THR 31 Ca 0.20 -0.58 0.16 0.00 -1.21 0.00 0.00 61.69 60.27 1dm0 s THR 31 Cb 0.07 -0.46 0.52 0.00 -1.51 0.00 0.00 72.50 71.12 1dm0 s THR 31 CO -0.00 -0.32 1.42 -0.46 -2.21 0.00 0.00 174.62 173.05 1dm0 n ASN 32 N 1.55 3.87 -4.60 8.08 6.94 -1.26 -0.33 115.26 129.51 1dm0 n ASN 32 Ca -0.22 -2.89 -0.41 0.00 -0.02 0.00 0.00 54.58 51.04 1dm0 n ASN 32 Cb 0.56 -0.52 -0.07 0.00 -2.36 0.00 0.00 39.78 37.40 1dm0 n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1dm0 s ARG 33 N -2.60 3.88 0.10 -3.83 1.81 -1.26 -4.91 118.95 112.14 1dm0 s ARG 33 Ca 0.41 0.27 0.10 0.00 -1.72 0.00 0.00 55.73 54.79 1dm0 s ARG 33 Cb 0.32 -3.73 0.48 0.00 -0.45 0.00 0.00 34.95 31.57 1dm0 s ARG 33 CO 0.10 -0.58 1.31 0.91 -0.68 0.00 0.00 175.30 176.36 1dm0 n TRP 34 N 5.88 0.26 0.05 -0.53 7.02 -1.26 -2.90 117.44 125.96 1dm0 n TRP 34 Ca -0.01 0.12 -0.06 0.00 -1.02 0.00 0.00 57.50 56.53 1dm0 n TRP 34 Cb 0.49 -0.70 -0.11 0.00 -2.42 0.00 0.00 31.31 28.57 1dm0 n TRP 34 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1dm0 h ASN 35 N 0.00 0.00 1.20 -0.99 2.35 -2.00 -3.31 115.58 112.83 1dm0 h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dm0 h ASN 35 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1dm0 h ASN 35 CO 0.00 0.95 0.00 -0.07 -1.65 0.00 0.00 177.43 176.66 1dm0 h LEU 36 N 0.00 0.00 -0.43 1.61 3.38 -1.96 -3.32 115.31 114.60 1dm0 h LEU 36 Ca -0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1dm0 h LEU 36 Cb 1.78 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.48 1dm0 h LEU 36 CO 0.11 0.00 -0.32 1.56 0.09 0.00 0.00 178.44 179.88 1dm0 h GLN 37 N 0.00 -0.08 0.00 1.13 4.20 -1.72 0.73 115.11 119.36 1dm0 h GLN 37 Ca 0.00 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1dm0 h GLN 37 Cb 0.60 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1dm0 h GLN 37 CO 0.00 -0.06 -0.83 0.66 -0.67 0.00 0.00 178.83 177.94 1dm0 h SER 38 N -0.09 0.00 0.13 1.46 4.64 -1.84 -2.29 113.55 115.56 1dm0 h SER 38 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1dm0 h SER 38 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1dm0 h SER 38 CO -0.45 0.57 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.84 1dm0 h LEU 39 N 0.00 0.07 0.00 5.97 3.38 -1.52 -1.68 115.31 121.53 1dm0 h LEU 39 Ca -0.05 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1dm0 h LEU 39 Cb 1.48 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1dm0 h LEU 39 CO 0.07 0.25 -1.12 -0.07 0.09 0.00 0.00 178.44 177.66 1dm0 h LEU 40 N 0.08 0.00 0.05 1.67 3.38 0.50 -2.71 115.31 118.27 1dm0 h LEU 40 Ca 0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 1dm0 h LEU 40 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1dm0 h LEU 40 CO 0.02 0.74 -1.18 0.25 0.09 0.00 0.00 178.44 178.36 1dm0 h LEU 41 N 0.00 0.59 -0.43 1.67 5.85 -1.24 -2.25 115.31 119.50 1dm0 h LEU 41 Ca -0.11 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.12 1dm0 h LEU 41 Cb 1.65 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1dm0 h LEU 41 CO 0.08 1.40 0.10 0.28 -0.34 0.00 0.00 178.44 179.96 1dm0 h SER 42 N 0.17 0.03 0.85 1.25 0.02 -1.37 1.34 113.55 115.84 1dm0 h SER 42 Ca -0.14 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1dm0 h SER 42 Cb 1.86 0.09 0.01 0.00 0.14 0.00 0.00 62.40 64.50 1dm0 h SER 42 CO 0.21 0.05 -0.41 0.00 -1.14 0.00 0.00 176.83 175.54 1dm0 h ALA 43 N 1.32 -1.14 -0.66 3.77 0.00 -1.47 -0.31 119.26 120.78 1dm0 h ALA 43 Ca 0.21 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1dm0 h ALA 43 Cb 0.25 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1dm0 h ALA 43 CO -0.26 -1.10 0.19 0.37 0.00 0.00 0.00 179.25 178.44 1dm0 h GLN 44 N -1.20 0.32 -0.95 0.00 4.15 -1.10 0.24 115.11 116.57 1dm0 h GLN 44 Ca -0.12 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.31 1dm0 h GLN 44 Cb 0.88 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 1dm0 h GLN 44 CO 0.19 0.21 0.62 0.82 -1.93 0.00 0.00 178.83 178.74 1dm0 h ILE 45 N 0.33 1.18 -0.16 2.39 2.04 0.24 -2.36 117.51 121.16 1dm0 h ILE 45 Ca 0.35 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1dm0 h ILE 45 Cb 0.53 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1dm0 h ILE 45 CO -0.41 0.22 0.00 0.35 0.00 0.00 0.00 178.15 178.32 1dm0 n THR 46 N -4.47 0.19 -3.27 -0.27 -2.24 -0.18 -4.97 114.28 99.08 1dm0 n THR 46 Ca 0.12 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1dm0 n THR 46 Cb 0.07 0.76 0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1dm0 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm0 n GLY 47 N 1.27 -0.13 3.89 3.38 0.00 0.01 -5.01 105.19 108.60 1dm0 n GLY 47 Ca 0.17 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1dm0 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dm0 s MET 48 N -5.84 2.25 -0.19 1.61 -1.94 -0.83 -5.00 119.30 109.36 1dm0 s MET 48 Ca 0.38 0.26 -0.09 0.00 -1.71 0.00 0.00 55.69 54.53 1dm0 s MET 48 Cb -0.17 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 1dm0 s MET 48 CO 0.53 -1.42 0.09 0.99 -0.01 0.00 0.00 175.02 175.20 1dm0 s THR 49 N -3.48 5.05 -0.06 2.05 2.01 -1.17 -4.19 115.64 115.85 1dm0 s THR 49 Ca 0.61 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.70 1dm0 s THR 49 Cb -0.11 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1dm0 s THR 49 CO 0.50 0.45 -0.17 0.68 -0.69 0.00 0.00 174.62 175.39 1dm0 s VAL 50 N 0.42 1.47 -0.20 3.82 -7.23 0.92 -0.88 120.40 118.72 1dm0 s VAL 50 Ca 0.05 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 1dm0 s VAL 50 Cb -0.12 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1dm0 s VAL 50 CO -0.00 0.43 0.18 -0.89 -0.31 0.00 0.00 175.10 174.50 1dm0 s THR 51 N 0.31 5.37 -0.18 5.32 2.01 -0.84 -1.53 115.64 126.10 1dm0 s THR 51 Ca -0.11 0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.10 1dm0 s THR 51 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1dm0 s THR 51 CO 0.04 0.40 0.06 -0.63 -0.69 0.00 0.00 174.62 173.80 1dm0 s ILE 52 N 0.55 4.73 -0.24 1.82 1.01 -0.66 0.41 121.20 128.83 1dm0 s ILE 52 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 1dm0 s ILE 52 Cb -0.12 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1dm0 s ILE 52 CO 0.01 0.46 0.03 -0.54 0.00 0.00 0.00 174.94 174.90 1dm0 s LYS 53 N 0.40 3.58 0.06 2.79 1.02 -0.79 -1.83 119.74 124.96 1dm0 s LYS 53 Ca 0.03 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.23 1dm0 s LYS 53 Cb -0.13 -3.21 0.07 0.00 -0.52 0.00 0.00 37.83 34.05 1dm0 s LYS 53 CO 0.00 -0.17 0.66 -0.08 -0.92 0.00 0.00 175.35 174.85 1dm0 s THR 54 N 1.50 0.00 -0.10 2.17 -1.32 0.14 -4.43 115.64 113.60 1dm0 s THR 54 Ca 0.06 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.68 1dm0 s THR 54 Cb -0.15 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.61 1dm0 s THR 54 CO 0.01 0.00 0.44 0.59 -2.21 0.00 0.00 174.62 173.46 1dm0 n ASN 55 N 0.13 0.57 -3.50 8.08 5.03 -1.26 -4.29 115.26 120.02 1dm0 n ASN 55 Ca -0.17 0.26 -0.40 0.00 0.87 0.00 0.00 54.58 55.14 1dm0 n ASN 55 Cb 0.62 0.31 -0.01 0.00 -1.02 0.00 0.00 39.78 39.68 1dm0 n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dm0 n ALA 56 N -2.63 6.74 -2.15 5.41 0.00 -1.26 -4.85 120.51 121.76 1dm0 n ALA 56 Ca -0.23 -3.91 -0.43 0.00 0.00 0.00 0.00 53.44 48.88 1dm0 n ALA 56 Cb 1.09 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1dm0 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dm0 s HIS 58 N 3.51 -0.16 -0.50 0.00 -3.43 -1.26 -5.02 115.29 108.42 1dm0 s HIS 58 Ca 0.50 0.10 -0.36 0.00 -0.80 0.00 0.00 55.06 54.50 1dm0 s HIS 58 Cb 0.09 0.52 -0.14 0.00 -1.43 0.00 0.00 32.58 31.62 1dm0 s HIS 58 CO -0.01 -0.27 2.28 0.09 -2.00 0.00 0.00 174.74 174.84 1dm0 n ASN 59 N -0.13 1.55 0.00 7.38 4.13 -1.26 0.29 115.26 127.23 1dm0 n ASN 59 Ca -0.01 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.58 1dm0 n ASN 59 Cb 0.59 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1dm0 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dm0 n GLY 60 N 6.70 1.55 3.73 7.41 0.00 -0.59 -4.99 105.19 118.99 1dm0 n GLY 60 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1dm0 n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm0 s GLY 61 N -2.27 2.39 0.22 -0.02 0.00 0.85 -4.71 107.32 103.77 1dm0 s GLY 61 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 44.72 45.67 1dm0 s GLY 61 CO 0.00 1.29 0.11 -0.32 0.00 0.00 0.00 173.10 174.18 1dm0 s GLY 62 N -2.01 1.59 0.17 0.20 0.00 -1.26 -1.99 107.32 104.02 1dm0 s GLY 62 Ca 0.74 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 44.13 1dm0 s GLY 62 CO 0.44 -1.43 -0.13 -0.11 0.00 0.00 0.00 173.10 171.87 1dm0 s PHE 63 N -1.99 1.52 0.00 1.90 -0.71 0.35 -4.61 117.98 114.44 1dm0 s PHE 63 Ca 0.31 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 1dm0 s PHE 63 Cb -0.08 -0.75 0.00 0.00 -1.21 0.00 0.00 43.02 40.98 1dm0 s PHE 63 CO 0.22 0.23 0.00 0.43 -1.34 0.00 0.00 175.22 174.77 1dm0 n SER 64 N -0.06 3.62 -4.11 1.98 7.64 -1.26 -4.44 113.62 116.99 1dm0 n SER 64 Ca -0.11 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.48 1dm0 n SER 64 Cb 0.59 0.21 -0.17 0.00 -1.01 0.00 0.00 64.21 63.84 1dm0 n SER 64 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1dm0 s GLU 65 N -1.80 2.49 0.18 1.43 -1.05 -1.26 -5.08 118.70 113.61 1dm0 s GLU 65 Ca 0.00 -0.67 0.10 0.00 -0.15 0.00 0.00 54.97 54.25 1dm0 s GLU 65 Cb 0.00 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.62 1dm0 s GLU 65 CO 0.00 0.00 -0.22 0.08 0.95 0.00 0.00 175.26 176.07 1dm0 s VAL 66 N 0.79 2.15 -0.09 1.83 1.01 -1.26 -1.89 120.40 122.95 1dm0 s VAL 66 Ca -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1dm0 s VAL 66 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1dm0 s VAL 66 CO 0.01 -0.17 -0.07 -0.63 0.00 0.00 0.00 175.10 174.24 1dm0 s ILE 67 N -1.74 3.63 -0.37 2.22 1.01 0.17 -4.95 121.20 121.16 1dm0 s ILE 67 Ca 0.18 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1dm0 s ILE 67 Cb -0.07 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.97 1dm0 s ILE 67 CO 0.08 0.57 0.15 -0.36 0.00 0.00 0.00 174.94 175.39 1dm0 s PHE 68 N -0.46 3.40 -2.24 3.97 0.08 -1.26 -1.99 117.98 119.49 1dm0 s PHE 68 Ca 0.07 -1.94 0.18 0.00 0.12 0.00 0.00 56.93 55.36 1dm0 s PHE 68 Cb -0.12 -2.76 0.14 0.00 -0.57 0.00 0.00 43.02 39.71 1dm0 s PHE 68 CO 0.02 -0.87 1.07 2.89 -0.10 0.00 0.00 175.22 178.23