#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 3.38 -0.01 0.11 2.02 -1.26 -4.84 118.70 118.09 2ff0 s GLU 11 Ca 0.00 0.97 -0.06 0.00 0.02 0.00 0.00 54.97 55.90 2ff0 s GLU 11 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 2ff0 s GLU 11 CO 0.00 -0.75 0.23 -0.51 0.02 0.00 0.00 175.26 174.25 2ff0 s LEU 12 N -4.92 4.37 0.10 1.80 1.43 -1.26 -0.10 118.68 120.10 2ff0 s LEU 12 Ca 0.59 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 53.87 2ff0 s LEU 12 Cb -0.13 -2.58 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 2ff0 s LEU 12 CO 0.46 0.27 1.58 0.00 0.23 0.00 0.00 176.35 178.89 2ff0 n PRO 14 N 4.83 0.31 -0.04 0.00 -0.04 -1.26 -0.53 135.00 138.27 2ff0 n PRO 14 Ca 0.14 0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 2ff0 n PRO 14 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 2ff0 n PRO 14 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ff0 n VAL 15 N -1.18 0.72 -0.04 0.52 0.31 -1.26 -4.79 118.33 112.60 2ff0 n VAL 15 Ca 0.09 0.35 -0.06 0.00 -0.01 0.00 0.00 64.34 64.70 2ff0 n VAL 15 Cb 0.09 -1.94 -0.14 0.00 -0.91 0.00 0.00 33.84 30.95 2ff0 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ff0 n GLY 17 N 1.59 0.87 3.58 0.00 0.00 0.31 -2.69 105.19 108.85 2ff0 n GLY 17 Ca -0.22 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2ff0 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ff0 s ASP 18 N -2.18 3.85 0.11 1.61 1.47 -1.26 -4.69 116.67 115.57 2ff0 s ASP 18 Ca 0.00 -1.21 -0.35 0.00 1.18 0.00 0.00 52.55 52.17 2ff0 s ASP 18 Cb 0.00 -0.39 -0.15 0.00 -0.34 0.00 0.00 42.92 42.04 2ff0 s ASP 18 CO 0.00 -0.27 1.47 0.29 0.68 0.00 0.00 175.17 177.33 2ff0 n LYS 19 N -0.87 1.63 -1.94 2.11 5.02 -1.26 0.73 118.16 123.57 2ff0 n LYS 19 Ca -0.05 0.59 -0.34 0.00 -2.02 0.00 0.00 58.31 56.49 2ff0 n LYS 19 Cb 0.64 -2.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.39 2ff0 n LYS 19 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ff0 s VAL 20 N 0.82 3.13 -2.40 -0.18 -7.23 0.86 -4.54 120.40 110.87 2ff0 s VAL 20 Ca 0.82 0.60 0.23 0.00 -1.81 0.00 0.00 61.98 61.82 2ff0 s VAL 20 Cb -0.83 -3.16 0.45 0.00 0.56 0.00 0.00 36.38 33.41 2ff0 s VAL 20 CO 0.43 -0.25 1.43 -1.20 -0.31 0.00 0.00 175.10 175.20 2ff0 n SER 21 N -1.97 3.23 0.00 4.85 7.64 -0.76 -4.79 113.62 121.82 2ff0 n SER 21 Ca 0.11 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.03 2ff0 n SER 21 Cb 0.51 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ff0 n GLY 22 N 1.46 0.44 3.71 0.23 0.00 -1.20 -4.97 105.19 104.86 2ff0 n GLY 22 Ca 0.19 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2ff0 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ff0 s TYR 23 N -0.43 3.23 0.00 1.61 2.02 -1.26 -0.93 117.35 121.59 2ff0 s TYR 23 Ca 0.00 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 2ff0 s TYR 23 Cb 0.00 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.00 2ff0 s TYR 23 CO 0.00 -1.89 0.00 0.72 -1.57 0.00 0.00 175.55 172.81 2ff0 n HIS 24 N 4.36 0.00 -2.72 2.71 8.25 0.31 -4.88 115.22 123.25 2ff0 n HIS 24 Ca 0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 2ff0 n HIS 24 Cb 0.44 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 2ff0 n HIS 24 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2ff0 s TYR 25 N 1.44 3.00 0.00 4.41 1.51 -1.26 -4.26 117.35 122.19 2ff0 s TYR 25 Ca 0.00 -1.68 0.00 0.00 -1.01 0.00 0.00 57.07 54.38 2ff0 s TYR 25 Cb 0.00 -4.58 0.00 0.00 -0.11 0.00 0.00 41.96 37.27 2ff0 s TYR 25 CO 0.00 -1.67 0.00 0.41 -1.11 0.00 0.00 175.55 173.18 2ff0 n GLY 26 N 5.17 2.96 0.42 0.71 0.00 -1.26 -3.08 105.19 110.11 2ff0 n GLY 26 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ff0 n LEU 27 N 0.00 0.00 -4.66 0.99 -0.00 -1.26 -4.90 117.00 107.17 2ff0 n LEU 27 Ca 0.00 -0.21 -0.43 0.00 -0.00 0.00 0.00 56.01 55.37 2ff0 n LEU 27 Cb 0.00 0.36 -0.02 0.00 -0.00 0.00 0.00 43.42 43.76 2ff0 n LEU 27 CO 0.00 -0.07 1.04 -0.76 -0.00 0.00 0.00 177.39 177.60 2ff0 s LEU 28 N 0.00 4.13 0.04 1.47 1.02 -1.26 -0.53 118.68 123.55 2ff0 s LEU 28 Ca 0.02 1.55 -0.07 0.00 0.02 0.00 0.00 54.13 55.65 2ff0 s LEU 28 Cb -0.00 -3.54 -0.00 0.00 0.02 0.00 0.00 46.19 42.66 2ff0 s LEU 28 CO 0.01 -0.76 0.14 0.42 0.02 0.00 0.00 176.35 176.17 2ff0 s THR 29 N 3.48 0.12 0.70 5.49 -4.23 -0.10 -4.64 115.64 116.47 2ff0 s THR 29 Ca 0.51 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2ff0 s THR 29 Cb -0.19 -0.86 0.09 0.00 1.34 0.00 0.00 72.50 72.89 2ff0 s THR 29 CO 0.13 -0.54 0.99 0.00 -0.54 0.00 0.00 174.62 174.65 2ff0 h GLU 31 N -0.53 0.00 -0.54 0.00 4.39 -1.93 -1.95 114.58 114.01 2ff0 h GLU 31 Ca -0.41 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 2ff0 h GLU 31 Cb 1.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 2ff0 h GLU 31 CO 0.49 0.07 -0.04 1.03 -1.16 0.00 0.00 179.01 179.41 2ff0 h SER 32 N 0.00 0.94 0.85 1.42 0.87 -1.97 0.26 113.55 115.91 2ff0 h SER 32 Ca -0.00 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2ff0 h SER 32 Cb 0.13 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2ff0 h SER 32 CO 0.01 1.02 -0.41 0.00 -0.53 0.00 0.00 176.83 176.92 2ff0 h LYS 34 N -1.18 0.00 0.72 0.00 2.10 -1.57 -1.84 116.57 114.80 2ff0 h LYS 34 Ca -0.12 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 2ff0 h LYS 34 Cb 0.88 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2ff0 h LYS 34 CO 0.19 0.09 -0.35 0.78 -2.00 0.00 0.00 179.45 178.16 2ff0 h GLY 35 N 2.18 -1.01 1.06 0.07 0.00 -0.71 -1.85 103.07 102.81 2ff0 h GLY 35 Ca -0.00 0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 2ff0 h GLY 35 CO 0.01 -0.37 -0.21 -2.75 0.00 0.00 0.00 176.54 173.22 2ff0 h PHE 36 N -1.13 1.04 0.01 5.60 3.57 -1.36 -1.94 116.94 122.73 2ff0 h PHE 36 Ca -0.10 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.16 2ff0 h PHE 36 Cb 0.77 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2ff0 h PHE 36 CO -0.00 1.05 -0.16 0.35 -2.23 0.00 0.00 178.31 177.32 2ff0 h PHE 37 N 0.72 -0.42 -0.06 0.41 3.57 -1.38 -0.89 116.94 118.89 2ff0 h PHE 37 Ca 0.09 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 2ff0 h PHE 37 Cb 0.78 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2ff0 h PHE 37 CO 0.06 -0.24 -0.75 1.57 -2.23 0.00 0.00 178.31 176.72 2ff0 h LYS 38 N -0.27 0.35 -0.73 1.11 2.10 -1.36 -2.09 116.57 115.68 2ff0 h LYS 38 Ca 0.05 -0.30 0.12 0.00 -2.00 0.00 0.00 60.65 58.52 2ff0 h LYS 38 Cb 0.34 0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 31.65 2ff0 h LYS 38 CO -0.15 0.95 0.33 0.00 -2.00 0.00 0.00 179.45 178.58 2ff0 h ARG 39 N 0.23 0.50 0.26 0.07 3.08 -1.08 -0.29 114.38 117.14 2ff0 h ARG 39 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ff0 h ARG 39 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2ff0 h ARG 39 CO 0.13 0.33 -0.12 1.15 -1.07 0.00 0.00 179.97 180.38 2ff0 h THR 40 N 0.52 0.78 -0.48 2.04 2.02 -0.83 -3.16 112.91 113.79 2ff0 h THR 40 Ca 0.38 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2ff0 h THR 40 Cb 0.50 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2ff0 h THR 40 CO -0.34 0.14 0.13 -0.37 0.37 0.00 0.00 175.52 175.45 2ff0 h VAL 41 N -0.71 1.23 0.00 3.16 -1.51 -1.21 0.13 116.25 117.34 2ff0 h VAL 41 Ca -0.04 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.62 2ff0 h VAL 41 Cb 0.49 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2ff0 h VAL 41 CO 0.06 0.29 -0.07 1.56 -1.23 0.00 0.00 177.57 178.18 2ff0 h GLN 42 N 0.65 0.00 -0.39 5.19 1.08 -1.15 -0.48 115.11 120.01 2ff0 h GLN 42 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2ff0 h GLN 42 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2ff0 h GLN 42 CO -0.00 0.07 0.00 0.09 -0.95 0.00 0.00 178.83 178.03 2ff0 n ASN 43 N -3.56 3.11 -2.59 1.46 3.02 -1.03 -4.95 115.26 110.71 2ff0 n ASN 43 Ca -0.02 -1.92 -0.21 0.00 -0.03 0.00 0.00 54.58 52.40 2ff0 n ASN 43 Cb 0.18 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ff0 n ASN 44 N 0.96 -5.88 -4.74 6.41 5.03 -0.19 -4.91 115.26 111.93 2ff0 n ASN 44 Ca 0.15 -0.09 -0.40 0.00 0.87 0.00 0.00 54.58 55.11 2ff0 n ASN 44 Cb 0.48 -4.86 -0.05 0.00 -1.02 0.00 0.00 39.78 34.33 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ff0 s LYS 45 N -5.25 4.64 -0.11 3.52 1.02 -0.04 -5.01 119.74 118.51 2ff0 s LYS 45 Ca 0.09 1.30 0.01 0.00 0.02 0.00 0.00 55.97 57.39 2ff0 s LYS 45 Cb -0.04 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2ff0 s LYS 45 CO 0.11 0.33 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.74 2ff0 s HIS 46 N -0.35 1.78 0.25 3.18 3.76 -1.26 -4.72 115.29 117.92 2ff0 s HIS 46 Ca 0.42 -0.88 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 2ff0 s HIS 46 Cb -0.23 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2ff0 s HIS 46 CO 0.28 -0.51 0.40 0.71 -0.85 0.00 0.00 174.74 174.76 2ff0 s TYR 47 N 1.32 3.47 -0.11 1.40 2.02 -1.26 -5.09 117.35 119.10 2ff0 s TYR 47 Ca -0.01 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2ff0 s TYR 47 Cb -0.14 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 2ff0 s TYR 47 CO -0.06 0.37 -0.13 0.99 -1.57 0.00 0.00 175.55 175.15 2ff0 s THR 48 N -2.01 1.39 -0.60 -0.71 2.01 -1.26 -4.69 115.64 109.77 2ff0 s THR 48 Ca 0.36 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2ff0 s THR 48 Cb -0.10 -1.30 0.09 0.00 0.01 0.00 0.00 72.50 71.20 2ff0 s THR 48 CO 0.31 0.42 0.86 0.00 -0.69 0.00 0.00 174.62 175.52 2ff0 n THR 50 N 0.19 -6.34 -4.49 0.00 -1.04 -1.26 -4.91 114.28 96.43 2ff0 n THR 50 Ca 0.04 1.18 0.00 0.00 -2.04 0.00 0.00 64.05 63.23 2ff0 n THR 50 Cb 0.22 -4.21 -0.00 0.00 -1.82 0.00 0.00 70.33 64.52 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ff0 n GLU 51 N 0.68 -0.04 0.09 -2.82 -0.58 -1.26 -4.25 120.64 112.46 2ff0 n GLU 51 Ca -0.02 0.02 -0.07 0.00 -0.42 0.00 0.00 57.16 56.68 2ff0 n GLU 51 Cb 0.02 -0.04 0.06 0.00 -0.57 0.00 0.00 31.44 30.91 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2ff0 h SER 52 N -0.02 0.25 0.00 1.62 0.02 -2.04 -3.47 113.55 109.91 2ff0 h SER 52 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2ff0 h SER 52 Cb 0.02 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2ff0 h SER 52 CO 0.00 0.90 0.00 0.00 -1.14 0.00 0.00 176.83 176.59 2ff0 n GLN 53 N -3.76 0.00 -2.33 3.45 1.13 -1.26 -4.48 117.38 110.12 2ff0 n GLN 53 Ca -0.03 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.84 2ff0 n GLN 53 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.05 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2ff0 n SER 54 N 2.18 -5.54 -4.74 1.08 7.64 -1.26 -4.93 113.62 108.05 2ff0 n SER 54 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2ff0 n SER 54 Cb 0.00 -4.59 -0.00 0.00 -1.01 0.00 0.00 64.21 58.61 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 -1.90 3.51 -0.28 0.00 1.02 -1.26 -4.94 119.74 115.89 2ff0 s LYS 56 Ca 0.55 0.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 2ff0 s LYS 56 Cb -0.52 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 2ff0 s LYS 56 CO 0.62 -1.54 1.20 0.42 -0.92 0.00 0.00 175.35 175.14 2ff0 s ILE 57 N 4.52 4.32 0.00 2.17 -1.09 -1.26 -4.56 121.20 125.30 2ff0 s ILE 57 Ca 0.40 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2ff0 s ILE 57 Cb -0.09 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2ff0 s ILE 57 CO 0.25 -0.40 0.00 -0.67 -1.23 0.00 0.00 174.94 172.89 2ff0 n ASP 58 N 7.13 0.00 0.23 3.58 2.03 -1.26 -4.67 116.55 123.59 2ff0 n ASP 58 Ca 0.13 -0.34 0.11 0.00 0.52 0.00 0.00 54.79 55.22 2ff0 n ASP 58 Cb 0.46 0.00 0.53 0.00 -0.72 0.00 0.00 41.12 41.39 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ff0 h LYS 59 N 0.00 0.00 0.00 -0.67 1.57 -1.84 -1.53 116.57 114.10 2ff0 h LYS 59 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2ff0 h LYS 59 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ff0 h LYS 59 CO 0.00 0.19 -0.18 1.79 -0.57 0.00 0.00 179.45 180.67 2ff0 h THR 60 N 0.00 1.58 -0.59 -0.16 1.35 -1.93 -3.39 112.91 109.77 2ff0 h THR 60 Ca -0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 2ff0 h THR 60 Cb 0.66 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2ff0 h THR 60 CO 0.02 0.53 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 2ff0 n GLN 61 N -4.59 2.66 -0.29 4.72 6.02 -1.22 -4.52 117.38 120.16 2ff0 n GLN 61 Ca -0.13 -2.45 0.05 0.00 -0.01 0.00 0.00 57.00 54.46 2ff0 n GLN 61 Cb 0.48 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.44 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 3.89 0.67 -0.01 -1.09 0.11 -1.47 -1.86 114.38 114.62 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 0.93 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2ff0 h ARG 62 CO 0.00 0.44 -0.64 0.36 0.10 0.00 0.00 179.97 180.23 2ff0 n LYS 63 N -4.82 0.49 -0.00 0.08 -0.00 -1.26 -4.36 118.16 108.28 2ff0 n LYS 63 Ca 0.15 -0.37 -0.17 0.00 -0.00 0.00 0.00 58.31 57.91 2ff0 n LYS 63 Cb 0.35 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 33.79 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 0.91 0.51 -3.58 -1.58 3.08 -1.60 -3.40 114.38 108.72 2ff0 h ARG 64 Ca 0.00 -0.50 -0.65 0.00 0.07 0.00 0.00 59.98 58.91 2ff0 h ARG 64 Cb 0.58 0.13 -0.41 0.00 0.08 0.00 0.00 29.97 30.35 2ff0 h ARG 64 CO 0.00 1.13 -0.63 0.00 -1.07 0.00 0.00 179.97 179.40 2ff0 h PRO 66 N 6.68 1.07 -0.27 0.00 0.11 -1.83 0.16 132.00 137.92 2ff0 h PRO 66 Ca -0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2ff0 h PRO 66 Cb 0.91 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2ff0 h PRO 66 CO 0.67 0.71 0.14 0.35 -0.21 0.00 0.00 178.00 179.66 2ff0 h PHE 67 N 1.10 0.37 -0.41 0.65 3.57 -1.92 0.11 116.94 120.41 2ff0 h PHE 67 Ca 0.32 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 2ff0 h PHE 67 Cb -0.07 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2ff0 h PHE 67 CO -0.02 0.33 -0.19 0.00 -2.23 0.00 0.00 178.31 176.20 2ff0 h ARG 69 N 0.70 0.78 0.63 0.00 2.43 -0.49 -0.29 114.38 118.14 2ff0 h ARG 69 Ca 0.10 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 2ff0 h ARG 69 Cb 0.70 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2ff0 h ARG 69 CO 0.05 0.87 -0.33 0.35 -1.51 0.00 0.00 179.97 179.40 2ff0 h PHE 70 N 0.70 -0.87 -0.61 2.20 3.57 -0.39 -1.22 116.94 120.32 2ff0 h PHE 70 Ca 0.11 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2ff0 h PHE 70 Cb 0.62 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2ff0 h PHE 70 CO 0.03 -0.53 0.41 1.96 -2.23 0.00 0.00 178.31 177.95 2ff0 h GLN 71 N -0.89 0.68 -0.69 1.11 1.08 -1.24 -0.59 115.11 114.56 2ff0 h GLN 71 Ca -0.08 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2ff0 h GLN 71 Cb 0.70 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 2ff0 h GLN 71 CO 0.12 0.45 0.43 -0.22 -0.95 0.00 0.00 178.83 178.66 2ff0 h LYS 72 N 0.70 0.80 0.11 1.46 1.63 -0.72 0.83 116.57 121.38 2ff0 h LYS 72 Ca 0.25 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 2ff0 h LYS 72 Cb 0.12 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2ff0 h LYS 72 CO -0.07 0.53 -0.05 0.00 -3.45 0.00 0.00 179.45 176.41 2ff0 h LEU 74 N -0.17 0.02 -0.04 0.00 4.07 -1.06 -1.78 115.31 116.35 2ff0 h LEU 74 Ca -0.02 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2ff0 h LEU 74 Cb 0.13 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 2ff0 h LEU 74 CO 0.03 0.09 0.01 0.74 -1.08 0.00 0.00 178.44 178.22 2ff0 h THR 75 N 0.02 1.21 0.00 0.22 2.02 -0.35 -3.23 112.91 112.80 2ff0 h THR 75 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2ff0 h THR 75 Cb 0.14 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2ff0 h THR 75 CO 0.01 0.17 0.00 -0.37 0.37 0.00 0.00 175.52 175.70 2ff0 h VAL 76 N -0.18 0.00 0.00 3.16 -1.51 -1.22 -3.45 116.25 113.05 2ff0 h VAL 76 Ca 0.01 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2ff0 h VAL 76 Cb 0.27 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2ff0 h VAL 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2ff0 n GLY 77 N 0.39 0.59 3.62 5.19 0.00 -1.18 -4.88 105.19 108.92 2ff0 n GLY 77 Ca 0.02 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 0.00 3.64 0.33 1.61 1.00 -0.69 -4.39 119.30 120.81 2ff0 s MET 78 Ca 0.00 1.56 0.08 0.00 0.00 0.00 0.00 55.69 57.32 2ff0 s MET 78 Cb 0.00 -4.09 -0.03 0.00 0.00 0.00 0.00 34.83 30.71 2ff0 s MET 78 CO 0.00 -1.48 0.24 1.03 0.00 0.00 0.00 175.02 174.81 2ff0 s ARG 79 N 5.00 2.63 0.42 2.03 0.52 -1.26 -3.44 118.95 124.85 2ff0 s ARG 79 Ca 0.74 -1.35 0.23 0.00 -0.52 0.00 0.00 55.73 54.83 2ff0 s ARG 79 Cb -0.24 -2.40 0.56 0.00 0.52 0.00 0.00 34.95 33.40 2ff0 s ARG 79 CO 0.31 0.12 1.68 -0.07 0.02 0.00 0.00 175.30 177.35 2ff0 h LEU 80 N 1.35 0.00 -1.55 2.53 -0.00 -1.96 -3.01 115.31 112.67 2ff0 h LEU 80 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2ff0 h LEU 80 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2ff0 h LEU 80 CO 0.60 0.17 0.00 -0.33 -0.00 0.00 0.00 178.44 178.87 2ff0 h GLU 81 N 0.00 0.00 -0.14 1.13 5.08 -1.99 -1.42 114.58 117.24 2ff0 h GLU 81 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ff0 h GLU 81 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2ff0 h GLU 81 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2ff0 n ALA 82 N -1.95 2.49 -2.57 3.43 0.00 -1.14 -4.81 120.51 115.97 2ff0 n ALA 82 Ca -0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 2ff0 n ALA 82 Cb 0.19 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.84 5.11 -1.04 0.00 1.01 -0.54 -5.01 120.40 118.09 2ff0 s VAL 83 Ca 0.34 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 2ff0 s VAL 83 Cb 0.20 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2ff0 s VAL 83 CO 0.31 -0.19 1.46 -0.13 0.00 0.00 0.00 175.10 176.54 2ff0 s ARG 84 N 1.67 3.62 0.64 2.72 0.52 -1.26 -4.77 118.95 122.09 2ff0 s ARG 84 Ca 0.05 -1.21 0.35 0.00 -0.52 0.00 0.00 55.73 54.40 2ff0 s ARG 84 Cb -0.18 -5.36 1.91 0.00 0.52 0.00 0.00 34.95 31.83 2ff0 s ARG 84 CO 0.09 -2.20 2.13 0.00 0.02 0.00 0.00 175.30 175.34 2ff0 h ALA 85 N 9.60 1.38 -0.35 2.13 0.00 -1.95 0.80 119.26 130.87 2ff0 h ALA 85 Ca 0.22 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2ff0 h ALA 85 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ff0 h ALA 85 CO 1.42 -0.22 0.38 0.22 0.00 0.00 0.00 179.25 181.05 2ff0 h ASP 86 N 0.00 0.00 -4.51 0.00 3.58 -2.03 -3.47 116.42 109.99 2ff0 h ASP 86 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2ff0 h ASP 86 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2ff0 h ASP 86 CO -0.00 0.00 -0.68 -1.14 -2.88 0.00 0.00 179.24 174.54 2ff0 n ARG 87 N -3.76 -2.44 -2.14 0.28 0.00 0.27 -5.08 116.66 103.81 2ff0 n ARG 87 Ca 0.06 2.10 -0.12 0.00 -0.00 0.00 0.00 57.85 59.88 2ff0 n ARG 87 Cb 0.54 -4.14 0.05 0.00 0.00 0.00 0.00 32.46 28.91 2ff0 n ARG 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2ff0 n MET 88 N 0.44 0.63 -0.21 -0.14 2.81 -1.26 -5.03 117.12 114.36 2ff0 n MET 88 Ca 0.01 -1.88 0.08 0.00 -1.81 0.00 0.00 57.70 54.09 2ff0 n MET 88 Cb 0.02 -0.20 0.17 0.00 -0.71 0.00 0.00 33.22 32.50 2ff0 n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ff0 n ARG 89 N -1.86 2.32 -1.02 0.03 5.12 -1.26 -5.08 116.66 114.91 2ff0 n ARG 89 Ca 0.10 -2.46 0.00 0.00 -1.93 0.00 0.00 57.85 53.56 2ff0 n ARG 89 Cb 0.37 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ff0 n GLY 90 N -0.72 0.58 0.00 -0.13 0.00 -1.26 -5.17 105.19 98.49 2ff0 n GLY 90 Ca 0.15 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2ff0 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ff0 n GLY 91 N 0.00 0.60 3.76 -0.02 0.00 -1.26 -5.02 105.19 103.25 2ff0 n GLY 91 Ca 0.00 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 2ff0 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ff0 s ARG 92 N -4.95 3.03 0.66 1.61 0.52 -1.26 -4.96 118.95 113.60 2ff0 s ARG 92 Ca 0.00 1.73 -0.16 0.00 -0.52 0.00 0.00 55.73 56.78 2ff0 s ARG 92 Cb 0.00 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 2ff0 s ARG 92 CO 0.00 -1.14 1.18 1.21 0.02 0.00 0.00 175.30 176.58 2ff0 s ASN 93 N -1.74 4.82 0.57 0.23 2.47 -1.26 -4.90 114.94 115.14 2ff0 s ASN 93 Ca 0.75 2.28 0.35 0.00 0.42 0.00 0.00 52.86 56.66 2ff0 s ASN 93 Cb -0.28 -2.58 1.71 0.00 -1.45 0.00 0.00 41.25 38.65 2ff0 s ASN 93 CO 0.32 -1.84 2.13 0.50 -3.72 0.00 0.00 177.10 174.50 2ff0 h LYS 94 N 0.26 0.00 -1.88 0.43 3.11 -1.93 -3.10 116.57 113.46 2ff0 h LYS 94 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2ff0 h LYS 94 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 2ff0 h LYS 94 CO 0.53 0.05 0.00 1.19 -2.81 0.00 0.00 179.45 178.41 2ff0 n PHE 95 N -3.29 0.00 -0.06 1.91 3.01 -1.26 -4.58 117.46 113.19 2ff0 n PHE 95 Ca -0.01 -0.92 -0.09 0.00 1.01 0.00 0.00 57.45 57.44 2ff0 n PHE 95 Cb 0.21 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.20 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ff0 h GLY 96 N 3.14 -0.25 0.23 1.37 0.00 -1.93 0.27 103.07 105.90 2ff0 h GLY 96 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.72 2ff0 h GLY 96 CO 0.00 -0.21 -0.31 -2.55 0.00 0.00 0.00 176.54 173.47 2ff0 h PRO 97 N -0.28 -0.40 0.00 4.80 0.11 -1.93 0.14 132.00 134.44 2ff0 h PRO 97 Ca 0.14 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.18 2ff0 h PRO 97 Cb 0.50 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2ff0 h PRO 97 CO -0.42 -0.27 -0.46 0.00 -0.21 0.00 0.00 178.00 176.64 2ff0 h MET 98 N -0.42 0.00 -0.30 1.05 -0.00 -1.90 -1.43 114.93 111.93 2ff0 h MET 98 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.71 2ff0 h MET 98 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2ff0 h MET 98 CO -0.31 0.46 -0.09 -0.92 -0.00 0.00 0.00 176.91 176.05 2ff0 h TYR 99 N 0.00 0.67 -0.41 -0.10 3.20 -0.43 0.16 116.97 120.06 2ff0 h TYR 99 Ca -0.00 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2ff0 h TYR 99 Cb 0.84 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2ff0 h TYR 99 CO 0.00 0.79 0.13 0.87 -1.64 0.00 0.00 178.16 178.31 2ff0 h LYS 100 N 0.36 0.63 -0.28 1.82 1.57 -0.51 -1.83 116.57 118.35 2ff0 h LYS 100 Ca 0.07 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2ff0 h LYS 100 Cb 0.58 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2ff0 h LYS 100 CO 0.03 0.63 0.02 0.00 -0.57 0.00 0.00 179.45 179.56 2ff0 h ARG 101 N 0.52 0.47 -0.53 3.15 3.08 -1.15 -0.11 114.38 119.80 2ff0 h ARG 101 Ca 0.13 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2ff0 h ARG 101 Cb 0.25 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2ff0 h ARG 101 CO -0.00 0.61 0.33 0.22 -1.07 0.00 0.00 179.97 180.05 2ff0 h ASP 102 N 0.27 0.53 -0.59 7.04 1.82 -0.66 0.18 116.42 125.02 2ff0 h ASP 102 Ca 0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 2ff0 h ASP 102 Cb 0.38 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 2ff0 h ASP 102 CO 0.01 0.38 0.24 -0.09 -1.61 0.00 0.00 179.24 178.16 2ff0 h ARG 103 N 0.65 0.92 -0.34 0.28 2.43 -1.19 0.10 114.38 117.24 2ff0 h ARG 103 Ca 0.21 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 2ff0 h ARG 103 Cb 0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2ff0 h ARG 103 CO -0.09 0.76 -0.37 0.00 -1.51 0.00 0.00 179.97 178.76 2ff0 h ALA 104 N 1.36 0.71 0.00 2.80 0.00 -0.03 -0.85 119.26 123.25 2ff0 h ALA 104 Ca 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2ff0 h ALA 104 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ff0 h ALA 104 CO -0.02 0.66 -0.59 -0.07 0.00 0.00 0.00 179.25 179.23 2ff0 h LEU 105 N 0.65 0.00 -0.37 0.00 3.38 -0.27 0.22 115.31 118.92 2ff0 h LEU 105 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2ff0 h LEU 105 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2ff0 h LEU 105 CO 0.08 0.59 -0.06 0.50 0.09 0.00 0.00 178.44 179.65 2ff0 h LYS 106 N 0.00 0.69 -0.01 1.13 3.11 -0.56 -3.13 116.57 117.80 2ff0 h LYS 106 Ca -0.01 -0.25 -0.16 0.00 -2.81 0.00 0.00 60.65 57.43 2ff0 h LYS 106 Cb 1.14 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 2ff0 h LYS 106 CO 0.08 0.82 -0.75 0.37 -2.81 0.00 0.00 179.45 177.17 2ff0 h GLN 107 N 0.49 0.06 -4.12 1.90 4.15 -0.93 -3.49 115.11 113.17 2ff0 h GLN 107 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2ff0 h GLN 107 Cb 0.55 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 2ff0 h GLN 107 CO 0.03 0.78 -0.93 1.04 -1.93 0.00 0.00 178.83 177.82 2ff0 n GLN 108 N -3.69 -2.98 0.09 1.69 1.13 0.75 -4.92 117.38 109.44 2ff0 n GLN 108 Ca -0.02 2.41 -0.05 0.00 -1.94 0.00 0.00 57.00 57.41 2ff0 n GLN 108 Cb 0.72 -3.47 0.11 0.00 0.11 0.00 0.00 30.24 27.71 2ff0 n GLN 108 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2ff0 h LYS 109 N 2.59 0.22 -6.68 -1.09 1.57 -1.89 -3.44 116.57 107.85 2ff0 h LYS 109 Ca -0.28 -0.16 -0.66 0.00 -1.87 0.00 0.00 60.65 57.67 2ff0 h LYS 109 Cb 0.64 0.03 -0.24 0.00 0.08 0.00 0.00 32.23 32.74 2ff0 h LYS 109 CO 0.00 0.78 -0.87 -1.59 -0.57 0.00 0.00 179.45 177.20 2ff0 s LYS 110 N -3.69 1.50 0.00 3.15 -2.85 -1.26 -5.22 119.74 111.37 2ff0 s LYS 110 Ca -0.04 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2ff0 s LYS 110 Cb 0.12 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.06 2ff0 s LYS 110 CO 0.80 0.45 0.11 0.00 0.10 0.00 0.00 175.35 176.81