#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 4.38 0.47 -2.82 0.04 -1.26 -4.71 135.00 131.10 1dm0 s PRO 2 Ca 0.00 1.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 1dm0 s PRO 2 Cb 0.00 -2.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 1dm0 s PRO 2 CO 0.00 0.40 1.35 0.16 0.04 0.00 0.00 177.00 178.94 1dm0 s ASP 3 N -1.56 5.83 -0.04 6.66 -4.77 -1.26 0.01 116.67 121.54 1dm0 s ASP 3 Ca 0.43 2.74 -0.01 0.00 -3.30 0.00 0.00 52.55 52.41 1dm0 s ASP 3 Cb -0.18 -2.64 -0.02 0.00 -1.09 0.00 0.00 42.92 38.99 1dm0 s ASP 3 CO 0.22 -1.19 -0.04 0.00 0.70 0.00 0.00 175.17 174.87 1dm0 s VAL 5 N -2.07 0.10 -0.07 0.00 0.11 -1.18 -5.01 120.40 112.28 1dm0 s VAL 5 Ca -0.05 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1dm0 s VAL 5 Cb 0.02 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1dm0 s VAL 5 CO 0.08 -0.46 0.16 -0.89 -3.33 0.00 0.00 175.10 170.67 1dm0 s THR 6 N -2.16 -0.04 -5.00 5.04 2.01 -1.26 -1.59 115.64 112.64 1dm0 s THR 6 Ca -0.08 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1dm0 s THR 6 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1dm0 s THR 6 CO -0.02 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1dm0 n GLY 7 N 4.14 -0.81 3.94 4.40 0.00 -0.87 -4.54 105.19 111.45 1dm0 n GLY 7 Ca -0.25 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.00 3.22 -0.45 1.61 1.02 -1.26 -1.68 119.74 120.20 1dm0 s LYS 8 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1dm0 s LYS 8 Cb 0.00 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1dm0 s LYS 8 CO 0.00 -0.19 1.24 0.08 -0.92 0.00 0.00 175.35 175.55 1dm0 s VAL 9 N -2.56 4.10 0.09 3.17 1.01 -1.26 -4.33 120.40 120.62 1dm0 s VAL 9 Ca 0.47 1.12 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 1dm0 s VAL 9 Cb -0.10 -4.46 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 1dm0 s VAL 9 CO 0.39 -0.92 1.42 -0.33 0.00 0.00 0.00 175.10 175.66 1dm0 h GLU 10 N 9.74 0.63 -2.27 2.72 4.39 -1.32 -3.48 114.58 124.99 1dm0 h GLU 10 Ca -0.25 -0.32 0.09 0.00 0.34 0.00 0.00 59.36 59.23 1dm0 h GLU 10 Cb 1.08 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.57 1dm0 h GLU 10 CO 1.11 0.91 0.47 1.52 -1.16 0.00 0.00 179.01 181.86 1dm0 s TYR 11 N -4.40 -0.37 0.07 4.33 -0.85 -1.24 -4.99 117.35 109.90 1dm0 s TYR 11 Ca -0.13 0.28 0.07 0.00 -0.52 0.00 0.00 57.07 56.77 1dm0 s TYR 11 Cb 0.08 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1dm0 s TYR 11 CO 0.81 -0.55 -0.18 0.95 -1.52 0.00 0.00 175.55 175.05 1dm0 s THR 12 N -2.96 1.47 -0.16 -3.49 -4.23 -1.26 -1.13 115.64 103.88 1dm0 s THR 12 Ca 0.04 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1dm0 s THR 12 Cb -0.01 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.51 1dm0 s THR 12 CO -0.08 -0.04 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.21 1dm0 s LYS 13 N -1.62 2.98 -0.35 3.99 1.02 -0.38 -5.01 119.74 120.37 1dm0 s LYS 13 Ca 0.04 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 1dm0 s LYS 13 Cb -0.09 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1dm0 s LYS 13 CO 0.03 -0.12 0.40 -0.47 -0.92 0.00 0.00 175.35 174.27 1dm0 s TYR 14 N 1.06 3.20 0.58 3.18 5.04 -1.26 -2.62 117.35 126.54 1dm0 s TYR 14 Ca -0.01 0.01 0.10 0.00 -2.44 0.00 0.00 57.07 54.73 1dm0 s TYR 14 Cb -0.14 -2.73 0.10 0.00 0.35 0.00 0.00 41.96 39.53 1dm0 s TYR 14 CO -0.08 -0.46 0.80 0.09 -1.34 0.00 0.00 175.55 174.56 1dm0 n ASN 15 N 5.47 2.14 0.11 4.32 5.03 -1.20 -5.03 115.26 126.09 1dm0 n ASN 15 Ca -0.08 -2.55 -0.05 0.00 0.87 0.00 0.00 54.58 52.77 1dm0 n ASN 15 Cb 0.49 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.81 1dm0 n ASN 15 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1dm0 h ASP 16 N 0.11 -0.26 0.00 6.41 1.82 -1.97 -3.21 116.42 119.31 1dm0 h ASP 16 Ca -0.27 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1dm0 h ASP 16 Cb 1.26 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1dm0 h ASP 16 CO 0.39 -0.09 0.45 -0.90 -1.61 0.00 0.00 179.24 177.48 1dm0 n ASP 17 N -3.37 0.00 -1.78 2.28 5.68 -1.26 -4.63 116.55 113.46 1dm0 n ASP 17 Ca -0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.11 1dm0 n ASP 17 Cb 0.12 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 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 -0.95 -4.33 -5.00 -1.12 8.00 -1.21 -5.02 116.55 106.93 1dm0 n ASP 18 Ca 0.00 -0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.21 1dm0 n ASP 18 Cb 0.45 -3.35 0.01 0.00 -0.02 0.00 0.00 41.12 38.21 1dm0 n ASP 18 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dm0 s THR 19 N -2.81 3.12 -0.27 -3.53 2.01 -1.26 -4.99 115.64 107.91 1dm0 s THR 19 Ca 0.10 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1dm0 s THR 19 Cb -0.04 -3.08 0.15 0.00 0.01 0.00 0.00 72.50 69.54 1dm0 s THR 19 CO 0.13 -0.04 0.43 0.12 -0.69 0.00 0.00 174.62 174.57 1dm0 s PHE 20 N -2.43 -1.06 0.15 4.92 5.36 -1.26 -3.24 117.98 120.43 1dm0 s PHE 20 Ca 0.54 0.79 -0.12 0.00 -0.96 0.00 0.00 56.93 57.18 1dm0 s PHE 20 Cb -0.10 0.05 -0.07 0.00 -0.34 0.00 0.00 43.02 42.56 1dm0 s PHE 20 CO 0.34 -0.85 0.51 0.99 -1.46 0.00 0.00 175.22 174.75 1dm0 s THR 21 N 2.60 4.93 0.08 0.12 2.01 -1.08 -3.02 115.64 121.29 1dm0 s THR 21 Ca 0.13 0.66 0.05 0.00 0.31 0.00 0.00 61.69 62.83 1dm0 s THR 21 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1dm0 s THR 21 CO -0.22 0.18 -0.13 0.68 -0.69 0.00 0.00 174.62 174.44 1dm0 s VAL 22 N -1.53 1.10 -0.22 3.82 -7.23 -0.80 -1.24 120.40 114.30 1dm0 s VAL 22 Ca 0.39 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 1dm0 s VAL 22 Cb -0.14 -1.16 0.04 0.00 0.56 0.00 0.00 36.38 35.68 1dm0 s VAL 22 CO 0.19 -0.30 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.78 1dm0 s LYS 23 N -2.01 2.54 0.07 4.82 2.47 -0.28 -2.02 119.74 125.32 1dm0 s LYS 23 Ca 0.00 -1.11 0.06 0.00 -1.56 0.00 0.00 55.97 53.36 1dm0 s LYS 23 Cb -0.08 -2.74 -0.03 0.00 -1.46 0.00 0.00 37.83 33.52 1dm0 s LYS 23 CO 0.02 -0.42 -0.16 0.08 0.16 0.00 0.00 175.35 175.03 1dm0 s VAL 24 N 1.19 1.31 0.00 4.02 1.01 -0.79 -0.75 120.40 126.39 1dm0 s VAL 24 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1dm0 s VAL 24 Cb -0.17 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1dm0 s VAL 24 CO -0.08 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1dm0 n GLY 25 N 1.36 3.03 0.70 4.51 0.00 -1.26 -1.67 105.19 111.86 1dm0 n GLY 25 Ca -0.20 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 5.19 1.94 -4.03 1.61 5.75 -1.26 -4.99 116.55 120.76 1dm0 n ASP 26 Ca 0.00 -3.82 -0.19 0.00 -0.01 0.00 0.00 54.79 50.77 1dm0 n ASP 26 Cb 0.00 -0.55 -0.15 0.00 -1.03 0.00 0.00 41.12 39.40 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 -3.22 0.74 -0.36 0.11 -0.14 -0.67 -4.89 119.74 111.31 1dm0 s LYS 27 Ca 0.39 -0.36 -0.08 0.00 -1.36 0.00 0.00 55.97 54.57 1dm0 s LYS 27 Cb 0.37 -0.72 0.05 0.00 -1.68 0.00 0.00 37.83 35.86 1dm0 s LYS 27 CO -0.05 0.19 0.15 -2.00 -0.76 0.00 0.00 175.35 172.89 1dm0 s GLU 28 N -0.29 2.62 0.08 1.68 2.12 -1.26 -1.89 118.70 121.77 1dm0 s GLU 28 Ca 0.03 -1.24 0.10 0.00 0.36 0.00 0.00 54.97 54.22 1dm0 s GLU 28 Cb -0.04 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1dm0 s GLU 28 CO -0.00 -0.74 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.21 1dm0 s LEU 29 N 1.42 2.23 0.40 2.70 1.43 -0.86 -1.18 118.68 124.83 1dm0 s LEU 29 Ca 0.00 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1dm0 s LEU 29 Cb -0.20 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 1dm0 s LEU 29 CO 0.03 0.21 0.15 0.72 0.23 0.00 0.00 176.35 177.69 1dm0 s PHE 30 N -0.93 2.60 -0.06 0.29 -0.71 0.58 -1.90 117.98 117.85 1dm0 s PHE 30 Ca 0.12 -0.56 -0.23 0.00 -1.04 0.00 0.00 56.93 55.22 1dm0 s PHE 30 Cb -0.10 -1.88 0.05 0.00 -1.21 0.00 0.00 43.02 39.88 1dm0 s PHE 30 CO 0.04 0.24 0.52 -0.08 -1.34 0.00 0.00 175.22 174.59 1dm0 s THR 31 N -2.59 0.02 -0.10 -4.49 -1.32 -1.17 -1.33 115.64 104.68 1dm0 s THR 31 Ca 0.40 -0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.71 1dm0 s THR 31 Cb 0.03 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1dm0 s THR 31 CO 0.22 -0.10 0.46 0.59 -2.21 0.00 0.00 174.62 173.58 1dm0 n ASN 32 N 1.37 0.94 -4.54 8.08 3.02 -1.26 -4.01 115.26 118.87 1dm0 n ASN 32 Ca -0.19 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.04 1dm0 n ASN 32 Cb 0.56 0.13 0.08 0.00 -0.61 0.00 0.00 39.78 39.95 1dm0 n ASN 32 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1dm0 n ARG 33 N -0.09 0.33 -2.20 3.52 5.12 -1.26 -4.89 116.66 117.19 1dm0 n ARG 33 Ca 0.00 0.16 -0.43 0.00 -1.93 0.00 0.00 57.85 55.66 1dm0 n ARG 33 Cb 0.02 -2.02 -0.02 0.00 -1.16 0.00 0.00 32.46 29.27 1dm0 n ARG 33 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1dm0 s TRP 34 N -1.92 2.19 0.00 -1.55 -0.00 -1.26 -3.13 118.94 113.26 1dm0 s TRP 34 Ca 0.68 0.65 0.00 0.00 -0.00 0.00 0.00 56.10 57.43 1dm0 s TRP 34 Cb -0.33 -4.13 0.00 0.00 -0.00 0.00 0.00 33.47 29.00 1dm0 s TRP 34 CO 0.55 -2.47 0.00 -1.71 -0.00 0.00 0.00 176.95 173.32 1dm0 n ASN 35 N 9.01 0.00 0.14 5.86 5.15 -1.26 -4.88 115.26 129.28 1dm0 n ASN 35 Ca 0.19 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.19 1dm0 n ASN 35 Cb 0.47 0.00 0.37 0.00 -0.53 0.00 0.00 39.78 40.08 1dm0 n ASN 35 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1dm0 h LEU 36 N 0.00 0.16 -0.29 1.20 6.46 -1.92 -2.28 115.31 118.65 1dm0 h LEU 36 Ca 0.00 -0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.58 1dm0 h LEU 36 Cb 0.00 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1dm0 h LEU 36 CO 0.00 0.41 -0.37 1.56 -0.62 0.00 0.00 178.44 179.41 1dm0 h GLN 37 N 0.16 0.76 0.54 1.25 4.20 -1.90 0.05 115.11 120.17 1dm0 h GLN 37 Ca 0.03 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1dm0 h GLN 37 Cb 0.50 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1dm0 h GLN 37 CO 0.03 1.06 -0.26 1.03 -0.67 0.00 0.00 178.83 180.02 1dm0 h SER 38 N 0.52 -0.62 -0.41 1.46 0.87 -1.91 0.50 113.55 113.96 1dm0 h SER 38 Ca 0.04 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1dm0 h SER 38 Cb 0.96 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1dm0 h SER 38 CO 0.09 -0.42 0.27 -0.07 -0.53 0.00 0.00 176.83 176.18 1dm0 h LEU 39 N -0.76 0.33 -0.61 2.23 3.38 -1.35 -1.14 115.31 117.39 1dm0 h LEU 39 Ca -0.07 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1dm0 h LEU 39 Cb 0.57 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1dm0 h LEU 39 CO 0.12 0.23 -0.68 -0.07 0.09 0.00 0.00 178.44 178.13 1dm0 h LEU 40 N 0.38 0.00 -1.10 1.67 3.38 -0.48 -2.61 115.31 116.55 1dm0 h LEU 40 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1dm0 h LEU 40 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1dm0 h LEU 40 CO -0.04 0.68 -0.41 -0.07 0.09 0.00 0.00 178.44 178.69 1dm0 h LEU 41 N 0.00 0.00 -0.37 1.67 3.38 0.38 -0.84 115.31 119.53 1dm0 h LEU 41 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1dm0 h LEU 41 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1dm0 h LEU 41 CO 0.09 0.41 -0.69 0.28 0.09 0.00 0.00 178.44 178.62 1dm0 h SER 42 N 0.00 0.64 -0.70 -0.43 0.02 -1.48 0.70 113.55 112.29 1dm0 h SER 42 Ca -0.00 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1dm0 h SER 42 Cb 0.81 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1dm0 h SER 42 CO 0.05 1.14 0.24 0.00 -1.14 0.00 0.00 176.83 177.13 1dm0 h ALA 43 N 0.85 1.07 0.41 3.77 0.00 -1.05 -2.33 119.26 121.99 1dm0 h ALA 43 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1dm0 h ALA 43 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dm0 h ALA 43 CO 0.13 0.64 -0.20 0.37 0.00 0.00 0.00 179.25 180.19 1dm0 h GLN 44 N 1.06 -0.53 -0.89 0.00 4.15 -0.66 -1.25 115.11 116.98 1dm0 h GLN 44 Ca 0.24 0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.90 1dm0 h GLN 44 Cb 0.27 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1dm0 h GLN 44 CO -0.01 -0.22 0.60 0.82 -1.93 0.00 0.00 178.83 178.08 1dm0 h ILE 45 N -0.90 0.65 -0.01 2.39 2.04 0.49 -2.12 117.51 120.05 1dm0 h ILE 45 Ca -0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1dm0 h ILE 45 Cb 0.56 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1dm0 h ILE 45 CO 0.09 0.06 -0.32 0.35 0.00 0.00 0.00 178.15 178.33 1dm0 n THR 46 N -4.47 0.00 -0.53 -0.27 -2.24 -0.88 -5.03 114.28 100.86 1dm0 n THR 46 Ca 0.19 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1dm0 n THR 46 Cb 0.75 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 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 1.13 0.84 3.79 3.38 0.00 -0.80 -5.06 105.19 108.46 1dm0 n GLY 47 Ca 0.07 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.18 3.56 0.14 1.61 -1.94 -0.53 -5.00 119.30 115.97 1dm0 s MET 48 Ca 0.00 1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 55.21 1dm0 s MET 48 Cb 0.00 -2.06 -0.07 0.00 2.01 0.00 0.00 34.83 34.71 1dm0 s MET 48 CO 0.00 -0.64 0.59 0.99 -0.01 0.00 0.00 175.02 175.95 1dm0 s THR 49 N -2.02 4.77 0.05 2.05 2.01 -1.25 -4.38 115.64 116.87 1dm0 s THR 49 Ca 0.68 1.01 -0.03 0.00 0.31 0.00 0.00 61.69 63.66 1dm0 s THR 49 Cb -0.18 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1dm0 s THR 49 CO 0.25 0.32 0.04 0.68 -0.69 0.00 0.00 174.62 175.22 1dm0 s VAL 50 N -1.38 0.17 -0.09 3.82 -7.23 -0.68 -1.69 120.40 113.32 1dm0 s VAL 50 Ca 0.36 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1dm0 s VAL 50 Cb -0.16 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.62 1dm0 s VAL 50 CO 0.19 -0.76 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.10 1dm0 s THR 51 N -3.22 1.97 -0.24 5.32 2.01 -0.80 -2.06 115.64 118.62 1dm0 s THR 51 Ca 0.00 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1dm0 s THR 51 Cb 0.03 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1dm0 s THR 51 CO -0.07 0.54 0.09 -0.63 -0.69 0.00 0.00 174.62 173.86 1dm0 s ILE 52 N 0.29 4.56 -0.09 1.82 1.01 -0.62 -0.89 121.20 127.27 1dm0 s ILE 52 Ca -0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1dm0 s ILE 52 Cb -0.17 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1dm0 s ILE 52 CO 0.08 0.34 0.17 -0.54 0.00 0.00 0.00 174.94 174.99 1dm0 s LYS 53 N 1.42 3.47 -0.23 2.79 1.02 -1.04 -0.66 119.74 126.52 1dm0 s LYS 53 Ca 0.06 -0.14 -0.33 0.00 0.02 0.00 0.00 55.97 55.58 1dm0 s LYS 53 Cb -0.15 -3.17 0.16 0.00 -0.52 0.00 0.00 37.83 34.15 1dm0 s LYS 53 CO 0.05 0.75 1.25 -0.08 -0.92 0.00 0.00 175.35 176.39 1dm0 s THR 54 N -1.10 0.00 -0.60 2.17 -1.32 0.10 -4.27 115.64 110.62 1dm0 s THR 54 Ca 0.19 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.80 1dm0 s THR 54 Cb -0.12 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.72 1dm0 s THR 54 CO 0.08 0.00 0.55 0.59 -2.21 0.00 0.00 174.62 173.63 1dm0 n ASN 55 N 0.21 0.70 -2.46 8.08 4.13 -1.26 -4.18 115.26 120.48 1dm0 n ASN 55 Ca -0.01 -0.77 -0.32 0.00 1.68 0.00 0.00 54.58 55.17 1dm0 n ASN 55 Cb 0.58 1.04 0.04 0.00 -1.54 0.00 0.00 39.78 39.90 1dm0 n ASN 55 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1dm0 n ALA 56 N -1.35 6.21 -2.47 5.41 0.00 -1.26 -4.94 120.51 122.12 1dm0 n ALA 56 Ca 0.02 -3.29 -0.39 0.00 0.00 0.00 0.00 53.44 49.78 1dm0 n ALA 56 Cb 0.22 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 5.80 -0.16 0.13 0.00 -3.43 -1.26 -5.02 115.29 111.35 1dm0 s HIS 58 Ca 0.55 0.14 -0.35 0.00 -0.80 0.00 0.00 55.06 54.61 1dm0 s HIS 58 Cb 0.02 0.51 -0.15 0.00 -1.43 0.00 0.00 32.58 31.52 1dm0 s HIS 58 CO 0.04 -0.22 1.46 0.09 -2.00 0.00 0.00 174.74 174.11 1dm0 n ASN 59 N 0.07 2.44 0.00 7.38 4.13 -1.26 0.26 115.26 128.28 1dm0 n ASN 59 Ca -0.01 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.35 1dm0 n ASN 59 Cb 0.58 -1.32 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 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 2.97 1.44 3.75 7.41 0.00 -0.33 -4.98 105.19 115.46 1dm0 n GLY 60 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.38 2.87 0.25 -0.02 0.00 0.71 -4.60 107.32 104.15 1dm0 s GLY 61 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1dm0 s GLY 61 CO 0.00 1.77 0.42 -0.32 0.00 0.00 0.00 173.10 174.96 1dm0 s GLY 62 N -1.03 1.48 0.00 0.20 0.00 -1.26 -0.31 107.32 106.41 1dm0 s GLY 62 Ca 0.70 -0.99 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 1dm0 s GLY 62 CO 0.45 -0.96 0.40 -0.11 0.00 0.00 0.00 173.10 172.88 1dm0 s PHE 63 N -2.01 -0.27 0.00 1.90 -0.12 -0.44 -4.67 117.98 112.36 1dm0 s PHE 63 Ca 0.37 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.62 1dm0 s PHE 63 Cb -0.10 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 1dm0 s PHE 63 CO 0.31 -0.48 0.00 -1.13 -0.05 0.00 0.00 175.22 173.86 1dm0 n SER 64 N 0.95 1.09 -4.74 1.98 3.41 -1.26 -4.45 113.62 110.60 1dm0 n SER 64 Ca -0.20 -0.12 -0.34 0.00 -0.26 0.00 0.00 58.87 57.95 1dm0 n SER 64 Cb 0.57 0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 64.89 1dm0 n SER 64 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1dm0 s GLU 65 N -0.67 3.04 -0.29 4.33 2.02 -1.26 -5.05 118.70 120.82 1dm0 s GLU 65 Ca 0.00 -0.42 -0.15 0.00 0.02 0.00 0.00 54.97 54.42 1dm0 s GLU 65 Cb 0.00 -2.85 0.10 0.00 0.10 0.00 0.00 34.13 31.49 1dm0 s GLU 65 CO 0.00 0.69 0.74 0.08 0.02 0.00 0.00 175.26 176.78 1dm0 s VAL 66 N -1.02 -0.25 -0.09 2.63 1.01 -1.26 -2.51 120.40 118.91 1dm0 s VAL 66 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1dm0 s VAL 66 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1dm0 s VAL 66 CO 0.07 0.00 0.13 -0.63 0.00 0.00 0.00 175.10 174.67 1dm0 s ILE 67 N 1.93 5.31 -0.37 2.22 1.01 -0.07 -4.94 121.20 126.27 1dm0 s ILE 67 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1dm0 s ILE 67 Cb -0.06 -3.34 0.08 0.00 0.01 0.00 0.00 42.46 39.15 1dm0 s ILE 67 CO -0.19 0.55 0.15 -0.36 0.00 0.00 0.00 174.94 175.09 1dm0 s PHE 68 N -1.07 3.42 -2.19 3.97 0.08 -1.26 -1.91 117.98 119.02 1dm0 s PHE 68 Ca 0.17 -2.01 0.30 0.00 0.12 0.00 0.00 56.93 55.52 1dm0 s PHE 68 Cb -0.12 -2.79 1.58 0.00 -0.57 0.00 0.00 43.02 41.12 1dm0 s PHE 68 CO 0.07 -0.88 2.04 0.54 -0.10 0.00 0.00 175.22 176.89