#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm0 n PRO 2 N 0.00 -0.18 -1.02 -2.82 -0.04 -1.26 -4.74 135.00 124.94 1dm0 n PRO 2 Ca 0.00 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 1dm0 n PRO 2 Cb 0.00 -2.28 0.16 0.00 -0.04 0.00 0.00 33.50 31.34 1dm0 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dm0 s ASP 3 N -2.29 3.04 0.00 3.54 1.11 -1.26 -2.16 116.67 118.65 1dm0 s ASP 3 Ca 0.67 1.62 0.00 0.00 0.18 0.00 0.00 52.55 55.02 1dm0 s ASP 3 Cb -0.25 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1dm0 s ASP 3 CO 0.57 -2.93 0.00 0.00 1.18 0.00 0.00 175.17 173.99 1dm0 s VAL 5 N -1.00 0.01 -0.10 0.00 0.11 -1.16 -4.99 120.40 113.27 1dm0 s VAL 5 Ca 0.00 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1dm0 s VAL 5 Cb 0.00 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1dm0 s VAL 5 CO 0.00 -0.02 0.23 -0.89 -3.33 0.00 0.00 175.10 171.09 1dm0 s THR 6 N -0.83 -0.03 -5.00 5.04 2.01 -1.26 -0.85 115.64 114.72 1dm0 s THR 6 Ca -0.09 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1dm0 s THR 6 Cb -0.02 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1dm0 s THR 6 CO 0.07 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1dm0 n GLY 7 N 3.83 -0.78 3.89 4.40 0.00 -0.55 -4.59 105.19 111.39 1dm0 n GLY 7 Ca -0.21 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 1dm0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm0 s LYS 8 N -2.00 3.43 0.10 1.61 -2.85 -1.26 0.12 119.74 118.90 1dm0 s LYS 8 Ca 0.00 -0.21 -0.33 0.00 -1.00 0.00 0.00 55.97 54.43 1dm0 s LYS 8 Cb 0.00 -3.15 -0.12 0.00 -2.06 0.00 0.00 37.83 32.50 1dm0 s LYS 8 CO 0.00 0.74 1.74 0.28 0.10 0.00 0.00 175.35 178.21 1dm0 n VAL 9 N 1.58 0.25 0.01 1.79 0.31 -1.26 -4.45 118.33 116.56 1dm0 n VAL 9 Ca -0.16 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 1dm0 n VAL 9 Cb 0.54 -1.85 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1dm0 n VAL 9 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1dm0 h GLU 10 N 7.59 -0.14 -3.03 5.55 4.81 -0.64 -3.48 114.58 125.24 1dm0 h GLU 10 Ca -0.46 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1dm0 h GLU 10 Cb 1.24 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 1dm0 h GLU 10 CO 0.93 0.21 -0.04 1.52 -0.73 0.00 0.00 179.01 180.89 1dm0 s TYR 11 N -2.53 -0.31 0.16 0.92 -0.85 -1.24 -5.00 117.35 108.50 1dm0 s TYR 11 Ca -0.09 0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.78 1dm0 s TYR 11 Cb -0.00 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1dm0 s TYR 11 CO 0.32 -0.63 -0.20 0.95 -1.52 0.00 0.00 175.55 174.47 1dm0 s THR 12 N -2.80 1.89 -0.14 -3.49 -4.23 -1.26 -1.32 115.64 104.29 1dm0 s THR 12 Ca -0.03 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1dm0 s THR 12 Cb -0.00 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 72.04 1dm0 s THR 12 CO -0.05 -0.24 0.35 -0.75 -0.54 0.00 0.00 174.62 173.38 1dm0 s LYS 13 N -2.64 0.32 -0.20 3.99 2.20 0.74 -4.98 119.74 119.16 1dm0 s LYS 13 Ca 0.15 0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 56.32 1dm0 s LYS 13 Cb -0.07 -0.06 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 1dm0 s LYS 13 CO 0.07 -0.16 0.26 -0.47 -0.36 0.00 0.00 175.35 174.69 1dm0 s TYR 14 N 1.37 3.39 0.35 4.03 6.14 -1.26 -0.91 117.35 130.45 1dm0 s TYR 14 Ca -0.09 0.46 0.07 0.00 0.64 0.00 0.00 57.07 58.15 1dm0 s TYR 14 Cb -0.09 -2.35 -0.01 0.00 0.42 0.00 0.00 41.96 39.93 1dm0 s TYR 14 CO -0.11 0.12 0.46 -0.80 0.64 0.00 0.00 175.55 175.86 1dm0 s ASN 15 N 0.80 5.82 0.65 4.32 0.01 -0.65 -5.00 114.94 120.88 1dm0 s ASN 15 Ca 0.14 -0.27 0.27 0.00 -0.71 0.00 0.00 52.86 52.29 1dm0 s ASN 15 Cb -0.13 -1.11 1.45 0.00 0.41 0.00 0.00 41.25 41.87 1dm0 s ASN 15 CO 0.04 -0.47 1.83 -0.78 -1.51 0.00 0.00 177.10 176.21 1dm0 h ASP 16 N 0.91 0.00 -0.55 -1.22 1.82 -1.97 -0.42 116.42 114.98 1dm0 h ASP 16 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1dm0 h ASP 16 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1dm0 h ASP 16 CO 0.52 0.00 0.00 -0.90 -1.61 0.00 0.00 179.24 177.25 1dm0 n ASP 17 N -3.06 4.25 -1.15 2.28 5.68 -1.26 -4.97 116.55 118.32 1dm0 n ASP 17 Ca 0.01 -2.41 -0.13 0.00 -0.50 0.00 0.00 54.79 51.76 1dm0 n ASP 17 Cb 0.52 -0.50 -0.04 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.83 -4.35 -4.82 -1.12 9.92 -0.17 -5.02 116.55 111.82 1dm0 n ASP 18 Ca 0.22 0.20 -0.22 0.00 -0.53 0.00 0.00 54.79 54.47 1dm0 n ASP 18 Cb 0.79 -3.18 -0.04 0.00 -0.64 0.00 0.00 41.12 38.04 1dm0 n ASP 18 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1dm0 s THR 19 N -2.53 4.02 -0.13 -3.53 -4.23 -1.26 -4.93 115.64 103.05 1dm0 s THR 19 Ca 0.00 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 1dm0 s THR 19 Cb 0.00 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1dm0 s THR 19 CO 0.00 -0.28 -0.17 0.12 -0.54 0.00 0.00 174.62 173.75 1dm0 s PHE 20 N -2.21 2.21 -0.08 3.99 5.36 -0.91 -1.64 117.98 124.70 1dm0 s PHE 20 Ca 0.36 -1.12 -0.07 0.00 -0.96 0.00 0.00 56.93 55.14 1dm0 s PHE 20 Cb -0.07 -1.58 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1dm0 s PHE 20 CO 0.25 -0.57 0.18 0.99 -1.46 0.00 0.00 175.22 174.62 1dm0 s THR 21 N 1.07 5.43 -0.07 0.12 2.01 -0.09 -1.38 115.64 122.74 1dm0 s THR 21 Ca -0.04 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1dm0 s THR 21 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1dm0 s THR 21 CO -0.04 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1dm0 s VAL 22 N -1.10 1.17 -0.37 3.82 1.01 -0.56 -0.19 120.40 124.18 1dm0 s VAL 22 Ca 0.19 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1dm0 s VAL 22 Cb -0.13 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1dm0 s VAL 22 CO 0.08 0.37 0.17 -0.75 0.00 0.00 0.00 175.10 174.96 1dm0 s LYS 23 N 0.79 2.65 -0.05 2.72 2.20 -0.43 -3.13 119.74 124.49 1dm0 s LYS 23 Ca -0.12 -1.23 0.05 0.00 -0.36 0.00 0.00 55.97 54.31 1dm0 s LYS 23 Cb -0.15 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1dm0 s LYS 23 CO 0.02 -0.75 -0.21 0.08 -0.36 0.00 0.00 175.35 174.14 1dm0 s VAL 24 N 1.44 1.73 0.00 4.02 1.01 -1.08 0.21 120.40 127.72 1dm0 s VAL 24 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1dm0 s VAL 24 Cb -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1dm0 s VAL 24 CO 0.03 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dm0 n GLY 25 N 3.06 3.24 0.10 4.51 0.00 -1.26 -2.32 105.19 112.52 1dm0 n GLY 25 Ca -0.18 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 6.74 0.77 -4.78 1.61 5.75 -1.26 -4.98 116.55 120.41 1dm0 n ASP 26 Ca 0.00 -0.89 -0.35 0.00 -0.01 0.00 0.00 54.79 53.54 1dm0 n ASP 26 Cb 0.00 0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 40.64 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 -1.04 3.55 -0.48 0.11 -0.14 -0.98 -4.89 119.74 115.88 1dm0 s LYS 27 Ca 0.04 1.56 0.06 0.00 -1.36 0.00 0.00 55.97 56.27 1dm0 s LYS 27 Cb 0.04 -2.09 0.22 0.00 -1.68 0.00 0.00 37.83 34.31 1dm0 s LYS 27 CO 0.15 -0.67 0.50 -1.91 -0.76 0.00 0.00 175.35 172.66 1dm0 n GLU 28 N -1.07 1.01 -1.98 1.68 2.13 -1.26 -2.64 120.64 118.50 1dm0 n GLU 28 Ca 0.10 -3.62 -0.29 0.00 0.66 0.00 0.00 57.16 54.01 1dm0 n GLU 28 Cb 0.51 -1.67 0.15 0.00 0.27 0.00 0.00 31.44 30.70 1dm0 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1dm0 s LEU 29 N -1.07 2.69 0.16 4.31 1.43 -1.18 -2.67 118.68 122.34 1dm0 s LEU 29 Ca 0.34 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1dm0 s LEU 29 Cb 0.10 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1dm0 s LEU 29 CO -0.13 -2.44 0.23 0.72 0.23 0.00 0.00 176.35 174.96 1dm0 s PHE 30 N -3.74 0.54 0.05 0.29 -0.71 -0.92 -1.50 117.98 111.99 1dm0 s PHE 30 Ca 0.70 -0.90 -0.01 0.00 -1.04 0.00 0.00 56.93 55.67 1dm0 s PHE 30 Cb -0.06 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 1dm0 s PHE 30 CO 0.51 -0.68 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.62 1dm0 s THR 31 N -4.00 0.20 -0.18 -4.49 -1.32 -0.48 -1.45 115.64 103.92 1dm0 s THR 31 Ca 0.20 -1.63 0.15 0.00 -1.21 0.00 0.00 61.69 59.20 1dm0 s THR 31 Cb 0.04 -1.32 0.44 0.00 -1.51 0.00 0.00 72.50 70.15 1dm0 s THR 31 CO 0.01 -0.90 1.19 -0.46 -2.21 0.00 0.00 174.62 172.26 1dm0 n ASN 32 N 0.33 2.12 -4.36 8.08 0.23 -1.26 -2.14 115.26 118.26 1dm0 n ASN 32 Ca -0.16 -3.27 -0.42 0.00 -0.53 0.00 0.00 54.58 50.20 1dm0 n ASN 32 Cb 0.60 -0.44 -0.09 0.00 -2.08 0.00 0.00 39.78 37.77 1dm0 n ASN 32 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1dm0 s ARG 33 N -2.60 2.84 0.23 -3.83 1.81 -1.26 -5.00 118.95 111.14 1dm0 s ARG 33 Ca 0.39 -1.30 -0.07 0.00 -1.72 0.00 0.00 55.73 53.03 1dm0 s ARG 33 Cb 0.38 -3.94 0.41 0.00 -0.45 0.00 0.00 34.95 31.34 1dm0 s ARG 33 CO -0.07 -0.92 1.67 -1.49 -0.68 0.00 0.00 175.30 173.81 1dm0 h TRP 34 N 8.58 0.10 -0.10 -0.53 4.06 -1.94 -0.68 115.95 125.43 1dm0 h TRP 34 Ca -0.26 0.05 0.03 0.00 2.06 0.00 0.00 58.89 60.76 1dm0 h TRP 34 Cb 1.10 0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1dm0 h TRP 34 CO 0.61 -0.15 0.11 -0.91 -3.56 0.00 0.00 178.44 174.54 1dm0 h ASN 35 N 0.18 0.00 0.55 -3.49 2.35 -2.02 -0.73 115.58 112.42 1dm0 h ASN 35 Ca 0.39 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 1dm0 h ASN 35 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1dm0 h ASN 35 CO -0.55 0.00 -0.33 -0.07 -1.65 0.00 0.00 177.43 174.83 1dm0 h LEU 36 N 0.00 0.00 0.00 1.61 3.38 -1.55 -3.31 115.31 115.44 1dm0 h LEU 36 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dm0 h LEU 36 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1dm0 h LEU 36 CO -0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1dm0 n GLN 37 N -3.78 0.00 -0.24 1.13 6.02 -0.28 -1.17 117.38 119.06 1dm0 n GLN 37 Ca -0.01 0.58 -0.07 0.00 -0.01 0.00 0.00 57.00 57.49 1dm0 n GLN 37 Cb 0.41 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 1dm0 n GLN 37 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1dm0 h SER 38 N 0.00 -1.32 -0.67 1.08 0.87 -1.74 -2.46 113.55 109.31 1dm0 h SER 38 Ca 0.00 0.20 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 1dm0 h SER 38 Cb 0.00 0.58 -0.12 0.00 -0.44 0.00 0.00 62.40 62.42 1dm0 h SER 38 CO 0.00 -0.16 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.04 1dm0 h LEU 39 N -0.03 -0.38 -1.01 2.23 3.38 -1.62 -0.64 115.31 117.24 1dm0 h LEU 39 Ca 0.09 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1dm0 h LEU 39 Cb 0.27 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1dm0 h LEU 39 CO -0.56 -0.16 0.09 -0.07 0.09 0.00 0.00 178.44 177.84 1dm0 h LEU 40 N 0.08 0.76 -1.02 1.67 3.38 -0.78 -1.42 115.31 117.98 1dm0 h LEU 40 Ca 0.35 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1dm0 h LEU 40 Cb 0.57 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1dm0 h LEU 40 CO -0.60 0.77 0.13 0.25 0.09 0.00 0.00 178.44 179.08 1dm0 h LEU 41 N 0.77 0.78 -0.89 1.67 5.85 -0.72 0.03 115.31 122.80 1dm0 h LEU 41 Ca 0.17 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1dm0 h LEU 41 Cb 0.34 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1dm0 h LEU 41 CO 0.00 0.77 -0.05 0.28 -0.34 0.00 0.00 178.44 179.10 1dm0 h SER 42 N 0.81 0.74 0.29 1.25 0.02 -0.75 0.15 113.55 116.06 1dm0 h SER 42 Ca 0.18 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.78 1dm0 h SER 42 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1dm0 h SER 42 CO -0.00 0.84 -0.61 0.00 -1.14 0.00 0.00 176.83 175.92 1dm0 h ALA 43 N 1.24 0.79 -0.03 3.77 0.00 -0.91 -1.51 119.26 122.61 1dm0 h ALA 43 Ca 0.13 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 1dm0 h ALA 43 Cb 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dm0 h ALA 43 CO 0.03 0.72 -0.93 0.37 0.00 0.00 0.00 179.25 179.44 1dm0 h GLN 44 N 0.24 0.69 -0.30 0.00 4.15 -0.51 -1.72 115.11 117.66 1dm0 h GLN 44 Ca -0.01 -0.70 -0.08 0.00 0.77 0.00 0.00 58.65 58.63 1dm0 h GLN 44 Cb 1.13 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 1dm0 h GLN 44 CO 0.10 1.29 -0.16 0.82 -1.93 0.00 0.00 178.83 178.94 1dm0 h ILE 45 N 0.36 1.24 -0.24 2.39 2.04 -0.65 -2.92 117.51 119.73 1dm0 h ILE 45 Ca -0.11 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1dm0 h ILE 45 Cb 1.59 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1dm0 h ILE 45 CO 0.19 0.36 0.00 0.35 0.00 0.00 0.00 178.15 179.05 1dm0 n THR 46 N -4.17 0.31 -1.94 -0.27 -2.24 -0.58 -4.95 114.28 100.45 1dm0 n THR 46 Ca 0.00 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.20 1dm0 n THR 46 Cb 0.35 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.17 0.53 3.66 3.38 0.00 -1.01 -5.00 105.19 107.91 1dm0 n GLY 47 Ca 0.16 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.16 0.78 -0.19 1.61 -1.94 -0.68 -4.96 119.30 109.76 1dm0 s MET 48 Ca 0.00 1.03 -0.07 0.00 -1.71 0.00 0.00 55.69 54.94 1dm0 s MET 48 Cb 0.00 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 1dm0 s MET 48 CO 0.00 -2.63 0.05 0.99 -0.01 0.00 0.00 175.02 173.42 1dm0 s THR 49 N -2.76 4.53 0.18 2.05 2.01 -0.82 -4.38 115.64 116.46 1dm0 s THR 49 Ca 0.65 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.61 1dm0 s THR 49 Cb -0.21 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1dm0 s THR 49 CO 0.59 0.44 -0.02 0.68 -0.69 0.00 0.00 174.62 175.61 1dm0 s VAL 50 N 0.65 3.59 -0.08 3.82 -7.23 0.33 -2.39 120.40 119.10 1dm0 s VAL 50 Ca 0.02 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1dm0 s VAL 50 Cb -0.13 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 1dm0 s VAL 50 CO 0.02 -0.11 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.59 1dm0 s THR 51 N -1.74 1.83 -0.22 5.32 2.01 -0.91 -1.48 115.64 120.46 1dm0 s THR 51 Ca 0.27 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1dm0 s THR 51 Cb -0.09 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1dm0 s THR 51 CO 0.18 0.51 0.02 -0.63 -0.69 0.00 0.00 174.62 174.01 1dm0 s ILE 52 N 0.25 4.02 -0.39 1.82 1.01 -0.03 -1.34 121.20 126.55 1dm0 s ILE 52 Ca -0.13 -0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1dm0 s ILE 52 Cb -0.16 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.49 1dm0 s ILE 52 CO 0.06 0.40 0.27 -0.54 0.00 0.00 0.00 174.94 175.13 1dm0 s LYS 53 N 1.27 2.95 0.08 2.79 1.02 -1.01 -1.54 119.74 125.30 1dm0 s LYS 53 Ca 0.04 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.02 1dm0 s LYS 53 Cb -0.15 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.24 1dm0 s LYS 53 CO 0.02 -0.72 -0.06 -0.08 -0.92 0.00 0.00 175.35 173.59 1dm0 s THR 54 N 1.64 0.58 -0.05 2.17 -1.32 -0.92 -4.31 115.64 113.43 1dm0 s THR 54 Ca 0.04 -1.78 0.07 0.00 -1.21 0.00 0.00 61.69 58.81 1dm0 s THR 54 Cb -0.19 -1.48 -0.24 0.00 -1.51 0.00 0.00 72.50 69.08 1dm0 s THR 54 CO 0.09 -0.83 0.64 0.78 -2.21 0.00 0.00 174.62 173.10 1dm0 h ASN 55 N 3.23 0.12 -1.27 8.08 -0.26 -1.83 -3.40 115.58 120.25 1dm0 h ASN 55 Ca -0.35 -0.25 -0.75 0.00 -0.56 0.00 0.00 56.30 54.39 1dm0 h ASN 55 Cb 1.17 -0.04 -0.14 0.00 -1.06 0.00 0.00 38.32 38.25 1dm0 h ASN 55 CO 0.61 1.22 2.24 0.00 -1.06 0.00 0.00 177.43 180.44 1dm0 n ALA 56 N -2.65 6.73 -2.68 -0.83 0.00 -1.26 -4.90 120.51 114.92 1dm0 n ALA 56 Ca -0.19 -4.13 -0.43 0.00 0.00 0.00 0.00 53.44 48.69 1dm0 n ALA 56 Cb 1.05 -2.70 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 3.56 -0.14 0.08 0.00 -3.43 -1.26 -5.02 115.29 109.08 1dm0 s HIS 58 Ca 0.50 0.13 -0.36 0.00 -0.80 0.00 0.00 55.06 54.53 1dm0 s HIS 58 Cb 0.02 0.51 -0.18 0.00 -1.43 0.00 0.00 32.58 31.50 1dm0 s HIS 58 CO 0.04 -0.20 1.10 0.09 -2.00 0.00 0.00 174.74 173.77 1dm0 n ASN 59 N 0.06 0.56 0.00 7.38 4.13 -1.26 0.12 115.26 126.25 1dm0 n ASN 59 Ca -0.01 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.39 1dm0 n ASN 59 Cb 0.58 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 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 1.92 1.32 3.46 7.41 0.00 -1.09 -4.93 105.19 113.28 1dm0 n GLY 60 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1dm0 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm0 n GLY 61 N -2.00 -1.97 3.21 -0.02 0.00 0.33 -4.74 105.19 100.01 1dm0 n GLY 61 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1dm0 n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm0 s GLY 62 N -2.33 1.13 0.33 -0.02 0.00 -1.25 -2.15 107.32 103.02 1dm0 s GLY 62 Ca 0.67 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1dm0 s GLY 62 CO 0.65 -0.55 0.08 -0.11 0.00 0.00 0.00 173.10 173.17 1dm0 s PHE 63 N -0.12 1.85 0.00 1.90 -0.71 -0.53 -4.45 117.98 115.91 1dm0 s PHE 63 Ca -0.02 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 54.80 1dm0 s PHE 63 Cb -0.12 -1.19 0.00 0.00 -1.21 0.00 0.00 43.02 40.50 1dm0 s PHE 63 CO 0.03 -0.12 0.00 0.43 -1.34 0.00 0.00 175.22 174.22 1dm0 n SER 64 N -0.76 0.00 -4.30 1.98 7.64 -1.26 -4.45 113.62 112.47 1dm0 n SER 64 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 1dm0 n SER 64 Cb 0.66 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.70 1dm0 n SER 64 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1dm0 s GLU 65 N 0.00 2.79 0.00 1.43 2.02 -1.26 -5.09 118.70 118.59 1dm0 s GLU 65 Ca 0.00 -0.84 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 1dm0 s GLU 65 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1dm0 s GLU 65 CO 0.00 0.34 0.04 0.08 0.02 0.00 0.00 175.26 175.74 1dm0 s VAL 66 N -0.04 0.08 -0.17 2.63 1.01 -1.26 -2.40 120.40 120.25 1dm0 s VAL 66 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1dm0 s VAL 66 Cb -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1dm0 s VAL 66 CO 0.05 -0.34 -0.17 -0.63 0.00 0.00 0.00 175.10 174.01 1dm0 s ILE 67 N -1.07 2.45 -0.32 2.22 1.01 -0.45 -4.97 121.20 120.08 1dm0 s ILE 67 Ca -0.12 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 1dm0 s ILE 67 Cb -0.07 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1dm0 s ILE 67 CO 0.00 0.52 0.21 -0.36 0.00 0.00 0.00 174.94 175.31 1dm0 s PHE 68 N 1.03 3.22 -0.10 3.97 0.08 -1.26 -2.14 117.98 122.77 1dm0 s PHE 68 Ca -0.01 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.85 1dm0 s PHE 68 Cb -0.15 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1dm0 s PHE 68 CO -0.04 -0.33 0.53 -2.13 -0.10 0.00 0.00 175.22 173.14