#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ff0 s GLU 11 N 0.00 3.34 0.13 -1.24 2.02 -1.26 -5.02 118.70 116.67 2ff0 s GLU 11 Ca 0.00 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 54.63 2ff0 s GLU 11 Cb 0.00 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2ff0 s GLU 11 CO 0.00 0.04 -0.20 -0.51 0.02 0.00 0.00 175.26 174.62 2ff0 s LEU 12 N -4.35 2.63 0.19 1.80 1.43 -1.26 -2.00 118.68 117.12 2ff0 s LEU 12 Ca 0.42 -0.61 -0.32 0.00 -1.03 0.00 0.00 54.13 52.60 2ff0 s LEU 12 Cb -0.10 -1.47 -0.12 0.00 0.03 0.00 0.00 46.19 44.53 2ff0 s LEU 12 CO 0.36 0.17 1.74 0.00 0.23 0.00 0.00 176.35 178.85 2ff0 n PRO 14 N 4.35 0.59 0.00 0.00 -0.04 -1.26 -1.84 135.00 136.80 2ff0 n PRO 14 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2ff0 n PRO 14 Cb 0.36 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2ff0 n PRO 14 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ff0 n VAL 15 N -0.34 0.01 0.34 0.52 3.14 -1.26 -4.90 118.33 115.84 2ff0 n VAL 15 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 2ff0 n VAL 15 Cb 0.03 -0.42 0.32 0.00 -1.06 0.00 0.00 33.84 32.72 2ff0 n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ff0 n GLY 17 N 0.92 0.52 3.85 0.00 0.00 -0.76 -2.73 105.19 106.98 2ff0 n GLY 17 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2ff0 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ff0 s ASP 18 N -2.03 6.04 0.25 1.61 1.01 -1.26 -4.51 116.67 117.79 2ff0 s ASP 18 Ca 0.00 1.52 -0.30 0.00 0.71 0.00 0.00 52.55 54.48 2ff0 s ASP 18 Cb 0.00 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 2ff0 s ASP 18 CO 0.00 -0.99 1.53 -0.54 0.21 0.00 0.00 175.17 175.37 2ff0 s LYS 19 N -4.89 4.20 0.39 8.23 1.02 -1.26 0.64 119.74 128.07 2ff0 s LYS 19 Ca 0.57 2.42 -0.26 0.00 0.02 0.00 0.00 55.97 58.72 2ff0 s LYS 19 Cb -0.12 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 2ff0 s LYS 19 CO 0.49 -0.54 1.22 0.14 -0.92 0.00 0.00 175.35 175.74 2ff0 s VAL 20 N 0.22 2.97 -0.31 3.17 -7.23 -0.85 -4.18 120.40 114.20 2ff0 s VAL 20 Ca 0.63 0.86 0.10 0.00 -1.81 0.00 0.00 61.98 61.76 2ff0 s VAL 20 Cb -0.45 -3.50 0.64 0.00 0.56 0.00 0.00 36.38 33.64 2ff0 s VAL 20 CO 0.43 0.11 1.67 -0.24 -0.31 0.00 0.00 175.10 176.76 2ff0 n SER 21 N 0.23 3.93 0.00 4.85 2.88 0.17 -4.83 113.62 120.85 2ff0 n SER 21 Ca 0.03 -3.38 0.00 0.00 -1.33 0.00 0.00 58.87 54.19 2ff0 n SER 21 Cb 0.45 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ff0 n GLY 22 N -0.61 1.31 3.64 0.46 0.00 -1.24 -4.92 105.19 103.83 2ff0 n GLY 22 Ca 0.38 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2ff0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ff0 s TYR 23 N -1.45 3.19 -0.06 1.61 5.04 -1.26 -1.84 117.35 122.58 2ff0 s TYR 23 Ca 0.00 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.82 2ff0 s TYR 23 Cb 0.00 -3.59 0.02 0.00 0.35 0.00 0.00 41.96 38.74 2ff0 s TYR 23 CO 0.00 -0.70 0.14 -1.01 -1.34 0.00 0.00 175.55 172.64 2ff0 s HIS 24 N 3.54 -0.16 0.00 4.97 3.76 0.17 -4.92 115.29 122.65 2ff0 s HIS 24 Ca 0.45 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 2ff0 s HIS 24 Cb -0.13 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.56 2ff0 s HIS 24 CO 0.13 -0.11 0.00 0.66 -0.85 0.00 0.00 174.74 174.57 2ff0 n TYR 25 N 3.50 0.00 0.00 1.40 4.02 -1.26 -2.48 117.16 122.35 2ff0 n TYR 25 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2ff0 n TYR 25 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ff0 n GLY 26 N 0.00 0.22 1.90 2.72 0.00 -1.26 -3.65 105.19 105.11 2ff0 n GLY 26 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ff0 n LEU 27 N 0.00 0.00 -4.61 0.99 4.32 -1.03 -5.01 117.00 111.66 2ff0 n LEU 27 Ca 0.00 -1.73 -0.40 0.00 -0.02 0.00 0.00 56.01 53.86 2ff0 n LEU 27 Cb 0.00 0.46 -0.08 0.00 -1.62 0.00 0.00 43.42 42.18 2ff0 n LEU 27 CO 0.00 -0.26 0.19 -0.76 -1.22 0.00 0.00 177.39 175.34 2ff0 s LEU 28 N 0.00 4.08 0.07 2.23 1.02 -1.26 0.44 118.68 125.26 2ff0 s LEU 28 Ca 0.08 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.63 2ff0 s LEU 28 Cb 0.00 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 2ff0 s LEU 28 CO 0.06 -0.28 -0.05 0.42 0.02 0.00 0.00 176.35 176.52 2ff0 s THR 29 N 2.25 0.47 0.89 5.49 -4.23 -0.76 -4.46 115.64 115.30 2ff0 s THR 29 Ca 0.19 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 2ff0 s THR 29 Cb -0.16 -1.41 0.18 0.00 1.34 0.00 0.00 72.50 72.45 2ff0 s THR 29 CO 0.10 -0.84 1.23 0.00 -0.54 0.00 0.00 174.62 174.57 2ff0 h GLU 31 N -1.32 0.99 -0.47 0.00 4.39 -1.92 -2.36 114.58 113.89 2ff0 h GLU 31 Ca -0.42 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.03 2ff0 h GLU 31 Cb 1.24 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2ff0 h GLU 31 CO 0.37 0.85 0.06 0.66 -1.16 0.00 0.00 179.01 179.79 2ff0 h SER 32 N 0.96 0.69 0.30 1.42 4.64 -1.97 0.13 113.55 119.72 2ff0 h SER 32 Ca 0.21 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2ff0 h SER 32 Cb 0.27 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ff0 h SER 32 CO -0.01 0.72 -0.14 0.00 -0.87 0.00 0.00 176.83 176.53 2ff0 h LYS 34 N -0.52 0.76 0.48 0.00 3.64 -1.21 -0.16 116.57 119.56 2ff0 h LYS 34 Ca -0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2ff0 h LYS 34 Cb 0.39 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2ff0 h LYS 34 CO 0.07 0.50 -0.23 0.78 -2.27 0.00 0.00 179.45 178.30 2ff0 h GLY 35 N 0.79 -0.67 1.28 5.01 0.00 -0.68 -2.41 103.07 106.38 2ff0 h GLY 35 Ca 0.22 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 2ff0 h GLY 35 CO -0.06 -0.24 0.25 -2.75 0.00 0.00 0.00 176.54 173.73 2ff0 h PHE 36 N -0.84 0.93 0.23 5.60 3.57 -0.73 0.16 116.94 125.86 2ff0 h PHE 36 Ca -0.07 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 2ff0 h PHE 36 Cb 0.57 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2ff0 h PHE 36 CO -0.00 0.72 -0.18 0.35 -2.23 0.00 0.00 178.31 176.97 2ff0 h PHE 37 N 0.91 -0.46 -0.59 0.41 3.57 -1.02 -1.18 116.94 118.57 2ff0 h PHE 37 Ca 0.21 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2ff0 h PHE 37 Cb 0.19 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2ff0 h PHE 37 CO 0.01 -0.27 0.13 0.87 -2.23 0.00 0.00 178.31 176.82 2ff0 h LYS 38 N -0.42 0.96 -0.78 1.11 1.57 -1.10 -2.11 116.57 115.81 2ff0 h LYS 38 Ca -0.01 -0.24 0.17 0.00 -1.87 0.00 0.00 60.65 58.70 2ff0 h LYS 38 Cb 0.37 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.45 2ff0 h LYS 38 CO -0.01 0.89 0.26 0.00 -0.57 0.00 0.00 179.45 180.02 2ff0 h ARG 39 N 0.87 0.34 -0.06 3.15 2.47 -0.39 0.67 114.38 121.43 2ff0 h ARG 39 Ca 0.18 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.85 2ff0 h ARG 39 Cb 0.37 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2ff0 h ARG 39 CO 0.01 0.22 -0.10 1.15 0.56 0.00 0.00 179.97 181.81 2ff0 h THR 40 N 0.35 1.41 -0.28 2.04 2.02 -0.96 -2.90 112.91 114.58 2ff0 h THR 40 Ca 0.45 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.12 2ff0 h THR 40 Cb 0.77 2.19 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2ff0 h THR 40 CO -0.49 0.38 -0.37 0.58 0.37 0.00 0.00 175.52 175.99 2ff0 h VAL 41 N -0.32 1.30 -0.93 3.16 2.07 -0.72 0.54 116.25 121.35 2ff0 h VAL 41 Ca 0.00 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.01 2ff0 h VAL 41 Cb 0.66 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2ff0 h VAL 41 CO 0.02 0.50 0.60 1.56 0.02 0.00 0.00 177.57 180.27 2ff0 h GLN 42 N 0.50 1.13 -0.01 1.57 4.20 0.22 -1.00 115.11 121.71 2ff0 h GLN 42 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2ff0 h GLN 42 Cb 0.95 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2ff0 h GLN 42 CO 0.09 0.75 -0.03 0.09 -0.67 0.00 0.00 178.83 179.05 2ff0 n ASN 43 N -4.50 1.48 -4.28 1.46 5.03 -1.09 -4.93 115.26 108.42 2ff0 n ASN 43 Ca 0.12 -1.43 -0.35 0.00 0.87 0.00 0.00 54.58 53.79 2ff0 n ASN 43 Cb 0.10 0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 38.83 2ff0 n ASN 43 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2ff0 n ASN 44 N 0.10 -1.77 -4.97 6.41 0.23 0.10 -4.92 115.26 110.43 2ff0 n ASN 44 Ca 0.18 -1.11 -0.21 0.00 -0.53 0.00 0.00 54.58 52.91 2ff0 n ASN 44 Cb 0.36 -2.33 -0.01 0.00 -2.08 0.00 0.00 39.78 35.72 2ff0 n ASN 44 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2ff0 s LYS 45 N -7.02 3.31 0.06 -3.83 -2.85 -0.72 -5.03 119.74 103.66 2ff0 s LYS 45 Ca 0.53 -0.81 0.06 0.00 -1.00 0.00 0.00 55.97 54.75 2ff0 s LYS 45 Cb -0.30 -2.83 -0.03 0.00 -2.06 0.00 0.00 37.83 32.61 2ff0 s LYS 45 CO 0.96 0.24 -0.15 -1.01 0.10 0.00 0.00 175.35 175.49 2ff0 s HIS 46 N -2.10 1.33 0.19 1.78 3.76 -1.26 -4.84 115.29 114.16 2ff0 s HIS 46 Ca 0.39 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 2ff0 s HIS 46 Cb -0.09 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 2ff0 s HIS 46 CO 0.31 0.07 0.11 0.71 -0.85 0.00 0.00 174.74 175.08 2ff0 s TYR 47 N -1.05 3.04 -0.18 1.40 2.02 -1.26 -5.10 117.35 116.22 2ff0 s TYR 47 Ca 0.01 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2ff0 s TYR 47 Cb -0.09 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2ff0 s TYR 47 CO 0.02 0.53 0.04 0.99 -1.57 0.00 0.00 175.55 175.56 2ff0 s THR 48 N -1.86 4.55 -0.24 -0.71 2.01 -1.26 -4.82 115.64 113.31 2ff0 s THR 48 Ca 0.30 -0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2ff0 s THR 48 Cb -0.09 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.26 2ff0 s THR 48 CO 0.22 0.46 -0.27 0.00 -0.69 0.00 0.00 174.62 174.34 2ff0 n THR 50 N -4.35 0.00 0.30 0.00 -1.04 -1.26 -4.66 114.28 103.28 2ff0 n THR 50 Ca -0.40 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.45 2ff0 n THR 50 Cb 0.74 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.16 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ff0 h GLU 51 N 0.00 -0.72 0.00 -2.82 4.39 -2.01 -3.45 114.58 109.96 2ff0 h GLU 51 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2ff0 h GLU 51 Cb 0.00 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2ff0 h GLU 51 CO 0.00 -0.44 0.00 0.45 -1.16 0.00 0.00 179.01 177.86 2ff0 n SER 52 N -5.38 0.00 0.00 1.42 2.88 -1.26 -5.02 113.62 106.26 2ff0 n SER 52 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2ff0 n SER 52 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2ff0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ff0 n GLN 53 N -0.20 0.00 -0.39 -1.46 6.02 -1.26 -4.62 117.38 115.46 2ff0 n GLN 53 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2ff0 n GLN 53 Cb 0.00 -0.07 0.04 0.00 1.02 0.00 0.00 30.24 31.23 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ff0 n SER 54 N 1.82 3.66 -4.76 1.08 7.64 -1.26 -4.61 113.62 117.18 2ff0 n SER 54 Ca 0.00 -2.49 -0.32 0.00 1.01 0.00 0.00 58.87 57.08 2ff0 n SER 54 Cb 0.00 -0.67 0.09 0.00 -1.01 0.00 0.00 64.21 62.62 2ff0 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ff0 s LYS 56 N -4.68 3.27 -0.41 0.00 -0.14 -1.26 -5.00 119.74 111.52 2ff0 s LYS 56 Ca 0.63 -0.42 -0.26 0.00 -1.36 0.00 0.00 55.97 54.57 2ff0 s LYS 56 Cb -0.19 -3.97 0.02 0.00 -1.68 0.00 0.00 37.83 32.01 2ff0 s LYS 56 CO 0.53 -1.06 0.92 0.42 -0.76 0.00 0.00 175.35 175.40 2ff0 s ILE 57 N 2.86 4.54 0.00 2.17 -1.09 -1.26 -4.75 121.20 123.67 2ff0 s ILE 57 Ca 0.22 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2ff0 s ILE 57 Cb -0.15 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2ff0 s ILE 57 CO 0.18 -0.65 0.00 -0.90 -1.23 0.00 0.00 174.94 172.34 2ff0 n ASP 58 N 6.92 1.25 0.23 3.58 5.75 -1.25 -4.59 116.55 128.44 2ff0 n ASP 58 Ca 0.07 -0.80 0.07 0.00 -0.01 0.00 0.00 54.79 54.11 2ff0 n ASP 58 Cb 0.48 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 41.12 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2ff0 h LYS 59 N 0.00 0.00 0.00 0.11 3.64 -1.80 -1.04 116.57 117.49 2ff0 h LYS 59 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2ff0 h LYS 59 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2ff0 h LYS 59 CO 0.00 0.16 -1.25 0.25 -2.27 0.00 0.00 179.45 176.35 2ff0 n THR 60 N -4.23 1.52 1.70 1.00 -2.24 -1.26 -4.34 114.28 106.44 2ff0 n THR 60 Ca -0.02 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2ff0 n THR 60 Cb 0.23 -2.07 0.36 0.00 -2.10 0.00 0.00 70.33 66.76 2ff0 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ff0 n GLN 61 N -4.44 1.25 -0.27 -0.78 6.02 -1.22 -4.07 117.38 113.87 2ff0 n GLN 61 Ca -0.31 -0.39 0.14 0.00 -0.01 0.00 0.00 57.00 56.43 2ff0 n GLN 61 Cb 0.66 -1.26 0.41 0.00 1.02 0.00 0.00 30.24 31.07 2ff0 n GLN 61 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2ff0 h ARG 62 N 0.73 0.60 -0.01 -1.09 0.11 -1.38 -0.88 114.38 112.47 2ff0 h ARG 62 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2ff0 h ARG 62 Cb 0.16 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2ff0 h ARG 62 CO 0.00 0.40 -0.50 0.36 0.10 0.00 0.00 179.97 180.33 2ff0 n LYS 63 N -4.57 0.74 0.12 0.08 -0.00 -1.26 -4.30 118.16 108.96 2ff0 n LYS 63 Ca 0.19 -0.54 -0.22 0.00 -0.00 0.00 0.00 58.31 57.73 2ff0 n LYS 63 Cb 0.55 -1.49 -0.15 0.00 -0.00 0.00 0.00 35.03 33.93 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ff0 h ARG 64 N 1.33 0.44 -4.09 -1.58 3.08 -1.42 -3.41 114.38 108.74 2ff0 h ARG 64 Ca 0.00 -0.76 -0.66 0.00 0.07 0.00 0.00 59.98 58.64 2ff0 h ARG 64 Cb 0.60 0.28 -0.40 0.00 0.08 0.00 0.00 29.97 30.53 2ff0 h ARG 64 CO 0.00 1.35 -0.66 0.00 -1.07 0.00 0.00 179.97 179.59 2ff0 h PRO 66 N 7.15 0.89 0.35 0.00 0.13 -1.83 -1.66 132.00 137.03 2ff0 h PRO 66 Ca -0.06 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2ff0 h PRO 66 Cb 0.96 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2ff0 h PRO 66 CO 0.61 0.83 -0.17 0.35 -0.23 0.00 0.00 178.00 179.39 2ff0 h PHE 67 N 0.84 -0.44 -0.28 1.56 3.57 -1.89 -0.65 116.94 119.65 2ff0 h PHE 67 Ca 0.17 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 2ff0 h PHE 67 Cb 0.39 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2ff0 h PHE 67 CO 0.02 -0.24 -0.05 0.00 -2.23 0.00 0.00 178.31 175.81 2ff0 h ARG 69 N 0.42 -0.24 -0.52 0.00 2.43 -1.12 -0.68 114.38 114.67 2ff0 h ARG 69 Ca 0.09 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2ff0 h ARG 69 Cb 0.35 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2ff0 h ARG 69 CO 0.01 -0.02 0.29 0.35 -1.51 0.00 0.00 179.97 179.10 2ff0 h PHE 70 N -0.42 0.71 -0.87 2.20 3.57 -0.70 0.39 116.94 121.82 2ff0 h PHE 70 Ca -0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2ff0 h PHE 70 Cb 0.33 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2ff0 h PHE 70 CO -0.01 0.51 0.52 1.96 -2.23 0.00 0.00 178.31 179.06 2ff0 h GLN 71 N 0.69 1.18 0.00 1.11 1.08 -0.75 -1.37 115.11 117.05 2ff0 h GLN 71 Ca 0.18 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 2ff0 h GLN 71 Cb 0.04 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 2ff0 h GLN 71 CO -0.03 0.83 -0.49 -0.22 -0.95 0.00 0.00 178.83 177.96 2ff0 h LYS 72 N 1.19 0.00 -0.30 1.46 3.64 -0.60 0.36 116.57 122.32 2ff0 h LYS 72 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2ff0 h LYS 72 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2ff0 h LYS 72 CO -0.06 0.49 0.20 0.00 -2.27 0.00 0.00 179.45 177.82 2ff0 h LEU 74 N 0.41 0.96 -0.37 0.00 3.38 -1.21 0.80 115.31 119.28 2ff0 h LEU 74 Ca 0.11 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.70 2ff0 h LEU 74 Cb -0.05 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.35 2ff0 h LEU 74 CO -0.03 1.25 -0.20 0.74 0.09 0.00 0.00 178.44 180.30 2ff0 h THR 75 N 0.71 0.42 0.00 0.22 2.02 0.11 -1.46 112.91 114.93 2ff0 h THR 75 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2ff0 h THR 75 Cb 1.03 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2ff0 h THR 75 CO 0.10 0.00 0.00 1.62 0.37 0.00 0.00 175.52 177.61 2ff0 h VAL 76 N -0.14 0.00 0.00 3.16 3.04 0.87 -3.46 116.25 119.72 2ff0 h VAL 76 Ca 0.18 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2ff0 h VAL 76 Cb 0.42 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2ff0 h VAL 76 CO -0.46 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.71 2ff0 n GLY 77 N 0.09 1.70 3.65 3.17 0.00 -0.55 -4.98 105.19 108.28 2ff0 n GLY 77 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2ff0 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ff0 s MET 78 N -0.38 4.13 0.01 1.61 -1.94 0.22 -4.70 119.30 118.25 2ff0 s MET 78 Ca 0.00 1.56 -0.30 0.00 -1.71 0.00 0.00 55.69 55.24 2ff0 s MET 78 Cb 0.00 -3.81 -0.09 0.00 2.01 0.00 0.00 34.83 32.94 2ff0 s MET 78 CO 0.00 -0.85 2.00 0.54 -0.01 0.00 0.00 175.02 176.71 2ff0 n ARG 79 N 6.86 2.78 0.06 2.03 5.12 -1.24 -4.51 116.66 127.76 2ff0 n ARG 79 Ca 0.14 1.00 -0.03 0.00 -1.93 0.00 0.00 57.85 57.03 2ff0 n ARG 79 Cb 0.45 -3.04 0.19 0.00 -1.16 0.00 0.00 32.46 28.91 2ff0 n ARG 79 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2ff0 h LEU 80 N 11.09 0.35 0.00 0.55 5.85 -1.93 -2.24 115.31 128.97 2ff0 h LEU 80 Ca -0.49 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2ff0 h LEU 80 Cb 1.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2ff0 h LEU 80 CO 0.94 0.72 0.00 -1.84 -0.34 0.00 0.00 178.44 177.92 2ff0 n GLU 81 N -4.03 0.15 0.00 1.25 0.28 -1.26 -2.13 120.64 114.90 2ff0 n GLU 81 Ca -0.01 0.18 0.11 0.00 -0.16 0.00 0.00 57.16 57.27 2ff0 n GLU 81 Cb 0.49 -1.50 0.63 0.00 1.43 0.00 0.00 31.44 32.48 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ff0 n ALA 82 N -1.26 2.61 -3.39 -1.84 0.00 -0.84 -4.49 120.51 111.29 2ff0 n ALA 82 Ca 0.05 -0.13 -0.44 0.00 0.00 0.00 0.00 53.44 52.91 2ff0 n ALA 82 Cb 0.07 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 2ff0 n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ff0 s VAL 83 N -2.00 4.94 -1.43 0.00 1.01 -0.90 -4.98 120.40 117.03 2ff0 s VAL 83 Ca 0.32 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 2ff0 s VAL 83 Cb 0.15 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ff0 s VAL 83 CO 0.24 -0.86 2.15 -1.14 0.00 0.00 0.00 175.10 175.50 2ff0 n ARG 84 N 4.98 2.91 0.00 2.72 3.00 -1.26 -4.73 116.66 124.27 2ff0 n ARG 84 Ca -0.09 -2.71 0.09 0.00 -0.00 0.00 0.00 57.85 55.14 2ff0 n ARG 84 Cb 0.41 -3.32 0.46 0.00 0.00 0.00 0.00 32.46 30.01 2ff0 n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ff0 n ALA 85 N 6.46 2.00 0.43 5.13 0.00 -1.26 -1.99 120.51 131.28 2ff0 n ALA 85 Ca 0.52 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.91 2ff0 n ALA 85 Cb 0.40 -1.28 0.18 0.00 0.00 0.00 0.00 19.45 18.75 2ff0 n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ff0 n ASP 86 N -1.21 2.68 -2.64 0.00 5.75 -1.26 -4.93 116.55 114.94 2ff0 n ASP 86 Ca 0.10 -2.25 -0.00 0.00 -0.01 0.00 0.00 54.79 52.62 2ff0 n ASP 86 Cb 0.12 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 2ff0 n ASP 86 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ff0 n ARG 87 N 0.41 -1.00 -3.67 0.11 5.12 -0.84 -5.07 116.66 111.72 2ff0 n ARG 87 Ca 0.13 1.25 -0.13 0.00 -1.93 0.00 0.00 57.85 57.17 2ff0 n ARG 87 Cb 0.53 -4.64 -0.13 0.00 -1.16 0.00 0.00 32.46 27.06 2ff0 n ARG 87 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2ff0 s MET 88 N -2.97 0.19 -1.26 5.56 1.75 -1.24 -5.07 119.30 116.26 2ff0 s MET 88 Ca 0.01 0.77 -0.05 0.00 -1.25 0.00 0.00 55.69 55.16 2ff0 s MET 88 Cb -0.00 0.01 0.17 0.00 2.84 0.00 0.00 34.83 37.84 2ff0 s MET 88 CO 0.55 -0.26 2.23 0.54 -0.65 0.00 0.00 175.02 177.43 2ff0 n ARG 89 N 5.19 4.70 -2.90 4.11 1.74 -1.26 -4.77 116.66 123.47 2ff0 n ARG 89 Ca -0.09 -3.72 -0.41 0.00 -0.77 0.00 0.00 57.85 52.86 2ff0 n ARG 89 Cb 0.50 -2.62 -0.04 0.00 -1.02 0.00 0.00 32.46 29.29 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ff0 s GLY 90 N 0.03 2.45 0.46 -0.13 0.00 -1.26 -4.95 107.32 103.92 2ff0 s GLY 90 Ca 0.50 0.18 0.21 0.00 0.00 0.00 0.00 44.72 45.61 2ff0 s GLY 90 CO -0.09 1.52 1.97 -1.33 0.00 0.00 0.00 173.10 175.17 2ff0 h GLY 91 N 7.48 0.00 -6.82 0.20 0.00 -2.04 -3.40 103.07 98.49 2ff0 h GLY 91 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.46 2ff0 h GLY 91 CO 0.79 0.00 -0.79 0.50 0.00 0.00 0.00 176.54 177.04 2ff0 s ARG 92 N -4.19 1.32 0.00 4.80 0.52 -1.26 -5.05 118.95 115.09 2ff0 s ARG 92 Ca -0.03 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 2ff0 s ARG 92 Cb 0.13 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 34.02 2ff0 s ARG 92 CO 0.64 -0.32 0.00 0.09 0.02 0.00 0.00 175.30 175.73 2ff0 n ASN 93 N 4.97 0.00 0.24 0.23 3.02 -1.26 -4.79 115.26 117.67 2ff0 n ASN 93 Ca -0.11 -0.23 0.11 0.00 -0.03 0.00 0.00 54.58 54.32 2ff0 n ASN 93 Cb 0.49 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.27 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2ff0 h LYS 94 N 0.00 0.00 -0.65 3.52 1.79 -2.00 0.15 116.57 119.38 2ff0 h LYS 94 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ff0 h LYS 94 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2ff0 h LYS 94 CO 0.00 0.18 0.00 1.97 -1.08 0.00 0.00 179.45 180.52 2ff0 n PHE 95 N -3.54 0.82 -0.09 -1.35 -1.74 -1.26 -4.48 117.46 105.82 2ff0 n PHE 95 Ca -0.01 -0.31 -0.06 0.00 -0.56 0.00 0.00 57.45 56.51 2ff0 n PHE 95 Cb 0.32 -0.20 0.00 0.00 1.52 0.00 0.00 39.48 41.13 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2ff0 h GLY 96 N 4.78 0.16 0.25 4.97 0.00 -1.27 -0.43 103.07 111.53 2ff0 h GLY 96 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.52 2ff0 h GLY 96 CO 0.16 -0.15 -0.37 -2.55 0.00 0.00 0.00 176.54 173.62 2ff0 h PRO 97 N -0.06 -0.52 -0.24 4.80 0.11 -1.83 -1.68 132.00 132.57 2ff0 h PRO 97 Ca 0.16 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 2ff0 h PRO 97 Cb 0.31 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2ff0 h PRO 97 CO -0.37 -0.35 -0.10 0.00 -0.21 0.00 0.00 178.00 176.97 2ff0 h MET 98 N -0.54 0.38 -0.29 1.05 -0.00 -1.86 -1.74 114.93 111.93 2ff0 h MET 98 Ca 0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2ff0 h MET 98 Cb 0.61 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.15 2ff0 h MET 98 CO -0.28 0.49 0.19 -0.92 -0.00 0.00 0.00 176.91 176.39 2ff0 h TYR 99 N 0.36 0.37 -0.49 -0.10 3.20 -0.72 -0.25 116.97 119.35 2ff0 h TYR 99 Ca 0.07 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2ff0 h TYR 99 Cb 0.40 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2ff0 h TYR 99 CO 0.01 0.25 -0.11 0.87 -1.64 0.00 0.00 178.16 177.53 2ff0 h LYS 100 N 0.39 0.91 0.17 1.82 1.57 -0.94 -2.04 116.57 118.45 2ff0 h LYS 100 Ca 0.11 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2ff0 h LYS 100 Cb -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2ff0 h LYS 100 CO -0.02 0.97 -0.08 0.00 -0.57 0.00 0.00 179.45 179.75 2ff0 h ARG 101 N 0.81 -0.22 -0.65 3.15 3.08 -0.88 0.17 114.38 119.84 2ff0 h ARG 101 Ca 0.13 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2ff0 h ARG 101 Cb 0.64 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2ff0 h ARG 101 CO 0.04 -0.11 0.39 0.22 -1.07 0.00 0.00 179.97 179.45 2ff0 h ASP 102 N -0.28 0.78 -0.44 7.04 3.58 -1.02 0.13 116.42 126.21 2ff0 h ASP 102 Ca -0.02 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 2ff0 h ASP 102 Cb 0.22 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2ff0 h ASP 102 CO 0.04 0.61 0.14 -0.09 -2.88 0.00 0.00 179.24 177.05 2ff0 h ARG 103 N 0.88 0.68 0.04 0.28 9.65 -1.21 -0.38 114.38 124.32 2ff0 h ARG 103 Ca 0.23 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2ff0 h ARG 103 Cb -0.03 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 2ff0 h ARG 103 CO -0.04 0.66 -0.02 0.00 2.80 0.00 0.00 179.97 183.37 2ff0 h ALA 104 N 0.99 -0.05 0.00 2.80 0.00 -0.23 -2.92 119.26 119.85 2ff0 h ALA 104 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ff0 h ALA 104 Cb 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ff0 h ALA 104 CO -0.00 -0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 178.70 2ff0 h LEU 105 N -0.32 0.00 -0.64 0.00 3.38 -0.74 0.55 115.31 117.54 2ff0 h LEU 105 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2ff0 h LEU 105 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2ff0 h LEU 105 CO 0.01 0.08 -0.11 0.50 0.09 0.00 0.00 178.44 179.00 2ff0 h LYS 106 N 0.00 0.95 0.05 1.13 3.64 -0.90 -3.28 116.57 118.16 2ff0 h LYS 106 Ca -0.00 -0.34 -0.34 0.00 -1.27 0.00 0.00 60.65 58.70 2ff0 h LYS 106 Cb 0.53 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2ff0 h LYS 106 CO 0.01 1.00 -1.99 1.04 -2.27 0.00 0.00 179.45 177.25 2ff0 n GLN 107 N -4.15 0.69 -3.34 1.90 1.13 -0.83 -4.64 117.38 108.15 2ff0 n GLN 107 Ca 0.01 0.24 -0.46 0.00 -1.94 0.00 0.00 57.00 54.85 2ff0 n GLN 107 Cb 0.39 -1.70 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 2ff0 n GLN 107 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ff0 s GLN 108 N -2.56 3.38 0.42 -1.09 -0.21 0.18 -5.04 119.66 114.74 2ff0 s GLN 108 Ca -0.16 -2.23 0.08 0.00 0.02 0.00 0.00 55.36 53.07 2ff0 s GLN 108 Cb 0.07 -4.37 0.00 0.00 1.00 0.00 0.00 33.01 29.72 2ff0 s GLN 108 CO 0.78 -1.30 0.51 -1.59 -2.12 0.00 0.00 175.29 171.57 2ff0 s LYS 109 N 0.60 2.72 0.13 2.91 -2.85 -1.25 -4.33 119.74 117.67 2ff0 s LYS 109 Ca 0.13 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.46 2ff0 s LYS 109 Cb -0.17 -2.63 -0.06 0.00 -2.06 0.00 0.00 37.83 32.92 2ff0 s LYS 109 CO -0.05 -0.25 0.99 0.21 0.10 0.00 0.00 175.35 176.35 2ff0 s LYS 110 N -4.28 4.68 0.00 1.78 2.36 -1.26 -5.15 119.74 117.87 2ff0 s LYS 110 Ca 0.53 1.51 0.14 0.00 -2.55 0.00 0.00 55.97 55.60 2ff0 s LYS 110 Cb -0.08 -3.35 0.11 0.00 -1.05 0.00 0.00 37.83 33.46 2ff0 s LYS 110 CO 0.31 0.18 0.95 0.00 1.55 0.00 0.00 175.35 178.35