#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 3.10 0.01 -1.24 0.41 -1.26 -4.92 118.70 114.80 2ff0 s GLU 11 Ca 0.00 1.20 0.04 0.00 -0.41 0.00 0.00 54.97 55.81 2ff0 s GLU 11 Cb 0.00 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 2ff0 s GLU 11 CO 0.00 -0.99 -0.11 -0.51 -0.49 0.00 0.00 175.26 173.16 2ff0 s LEU 12 N -4.80 2.94 -0.32 1.80 1.43 -1.26 -1.15 118.68 117.31 2ff0 s LEU 12 Ca 0.63 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 2ff0 s LEU 12 Cb -0.17 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2ff0 s LEU 12 CO 0.42 0.28 1.72 0.00 0.23 0.00 0.00 176.35 179.00 2ff0 n PRO 14 N 8.27 0.45 -0.00 0.00 -0.04 -1.26 -0.99 135.00 141.42 2ff0 n PRO 14 Ca 0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2ff0 n PRO 14 Cb 0.47 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.35 0.99 0.08 0.52 3.14 -1.26 -4.84 118.33 116.60 2ff0 n VAL 15 Ca 0.00 0.28 0.11 0.00 -2.96 0.00 0.00 64.34 61.76 2ff0 n VAL 15 Cb 0.02 -1.70 -0.03 0.00 -1.06 0.00 0.00 33.84 31.06 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 1.21 0.75 3.96 0.00 0.00 -0.16 -3.93 105.19 107.01 2ff0 n GLY 17 Ca -0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.70 6.16 0.29 1.61 1.11 -1.25 -4.81 116.67 117.08 2ff0 s ASP 18 Ca 0.00 0.24 -0.29 0.00 0.18 0.00 0.00 52.55 52.68 2ff0 s ASP 18 Cb 0.00 -1.78 -0.10 0.00 1.07 0.00 0.00 42.92 42.12 2ff0 s ASP 18 CO 0.00 -0.35 1.17 -0.54 1.18 0.00 0.00 175.17 176.63 2ff0 s LYS 19 N -4.27 4.54 0.54 8.23 1.02 -1.26 0.11 119.74 128.65 2ff0 s LYS 19 Ca 0.41 1.93 -0.18 0.00 0.02 0.00 0.00 55.97 58.15 2ff0 s LYS 19 Cb -0.10 -3.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 2ff0 s LYS 19 CO 0.34 0.07 1.06 0.14 -0.92 0.00 0.00 175.35 176.04 2ff0 s VAL 20 N -1.05 3.67 -0.32 3.17 -7.23 -0.30 -4.45 120.40 113.89 2ff0 s VAL 20 Ca 0.47 0.94 0.12 0.00 -1.81 0.00 0.00 61.98 61.69 2ff0 s VAL 20 Cb -0.34 -3.38 -0.15 0.00 0.56 0.00 0.00 36.38 33.06 2ff0 s VAL 20 CO 0.44 -0.32 0.40 -0.24 -0.31 0.00 0.00 175.10 175.07 2ff0 n SER 21 N -1.45 1.27 0.00 4.85 2.88 -0.26 -4.89 113.62 116.02 2ff0 n SER 21 Ca 0.10 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 2ff0 n SER 21 Cb 0.52 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 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 1.51 -1.95 3.66 0.46 0.00 -1.13 -5.01 105.19 102.71 2ff0 n GLY 22 Ca 0.00 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.04 3.22 -0.08 1.61 1.51 -1.26 -0.83 117.35 119.47 2ff0 s TYR 23 Ca 0.00 1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 57.39 2ff0 s TYR 23 Cb 0.00 -3.33 0.03 0.00 -0.11 0.00 0.00 41.96 38.55 2ff0 s TYR 23 CO 0.00 -0.79 0.02 -1.01 -1.11 0.00 0.00 175.55 172.66 2ff0 s HIS 24 N 3.25 0.53 -1.18 2.71 3.76 0.19 -4.84 115.29 119.72 2ff0 s HIS 24 Ca 0.47 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2ff0 s HIS 24 Cb -0.17 -0.74 0.00 0.00 1.11 0.00 0.00 32.58 32.78 2ff0 s HIS 24 CO 0.08 -0.33 0.00 0.66 -0.85 0.00 0.00 174.74 174.30 2ff0 n TYR 25 N 5.18 -0.57 0.00 1.40 4.01 -1.26 -2.37 117.16 123.56 2ff0 n TYR 25 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2ff0 n TYR 25 Cb 0.50 -2.86 0.00 0.00 -0.31 0.00 0.00 39.34 36.67 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ff0 n GLY 26 N -1.05 3.27 3.58 2.72 0.00 -1.26 -2.73 105.19 109.72 2ff0 n GLY 26 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ff0 s LEU 27 N 0.00 3.07 -0.29 0.99 1.43 -1.00 -5.00 118.68 117.89 2ff0 s LEU 27 Ca 0.00 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2ff0 s LEU 27 Cb 0.00 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 2ff0 s LEU 27 CO 0.00 0.21 1.38 -0.76 0.23 0.00 0.00 176.35 177.42 2ff0 s LEU 28 N -1.93 3.86 0.20 1.79 1.02 -1.26 0.55 118.68 122.91 2ff0 s LEU 28 Ca 0.20 1.27 0.01 0.00 0.02 0.00 0.00 54.13 55.63 2ff0 s LEU 28 Cb -0.11 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.52 2ff0 s LEU 28 CO 0.12 -1.15 0.06 0.42 0.02 0.00 0.00 176.35 175.81 2ff0 s THR 29 N 4.66 0.46 0.34 5.49 -4.23 -0.01 -4.48 115.64 117.88 2ff0 s THR 29 Ca 0.60 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2ff0 s THR 29 Cb -0.18 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2ff0 s THR 29 CO 0.25 -0.24 0.59 0.00 -0.54 0.00 0.00 174.62 174.69 2ff0 h GLU 31 N 1.10 0.00 -0.16 0.00 4.39 -1.96 -0.75 114.58 117.19 2ff0 h GLU 31 Ca -0.48 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.27 2ff0 h GLU 31 Cb 1.20 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 2ff0 h GLU 31 CO 0.64 0.00 -0.29 0.77 -1.16 0.00 0.00 179.01 178.97 2ff0 h SER 32 N 0.00 -0.89 0.77 1.42 0.02 -1.97 0.10 113.55 112.99 2ff0 h SER 32 Ca 0.04 0.14 -0.23 0.00 -0.84 0.00 0.00 61.79 60.91 2ff0 h SER 32 Cb 0.20 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2ff0 h SER 32 CO -0.00 -0.33 -1.05 0.00 -1.14 0.00 0.00 176.83 174.32 2ff0 h LYS 34 N 0.05 -0.12 -0.18 0.00 3.64 -0.93 0.31 116.57 119.34 2ff0 h LYS 34 Ca -0.06 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2ff0 h LYS 34 Cb 1.76 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 2ff0 h LYS 34 CO 0.16 -0.08 0.05 0.78 -2.27 0.00 0.00 179.45 178.08 2ff0 h GLY 35 N -0.12 0.31 1.01 5.01 0.00 -0.81 -2.07 103.07 106.39 2ff0 h GLY 35 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2ff0 h GLY 35 CO -0.23 0.18 0.50 -2.75 0.00 0.00 0.00 176.54 174.23 2ff0 h PHE 36 N 0.10 0.94 -0.06 5.60 3.57 -1.21 -0.94 116.94 124.95 2ff0 h PHE 36 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ff0 h PHE 36 Cb 0.26 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 2ff0 h PHE 36 CO 0.01 0.60 0.04 0.35 -2.23 0.00 0.00 178.31 177.07 2ff0 h PHE 37 N 1.02 0.08 -0.42 0.41 3.57 -0.29 -1.68 116.94 119.63 2ff0 h PHE 37 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 2ff0 h PHE 37 Cb -0.12 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2ff0 h PHE 37 CO -0.02 0.10 0.22 0.87 -2.23 0.00 0.00 178.31 177.25 2ff0 h LYS 38 N 0.04 0.43 -0.77 1.11 1.57 -1.10 0.38 116.57 118.23 2ff0 h LYS 38 Ca 0.02 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2ff0 h LYS 38 Cb 0.05 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.18 2ff0 h LYS 38 CO -0.00 0.28 0.39 0.00 -0.57 0.00 0.00 179.45 179.55 2ff0 h ARG 39 N 0.44 0.61 0.35 3.15 2.47 -0.90 0.75 114.38 121.26 2ff0 h ARG 39 Ca 0.18 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 2ff0 h ARG 39 Cb 0.07 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2ff0 h ARG 39 CO -0.11 0.41 -0.17 1.15 0.56 0.00 0.00 179.97 181.80 2ff0 h THR 40 N 0.63 0.41 -0.31 2.04 2.02 -0.64 -3.19 112.91 113.87 2ff0 h THR 40 Ca 0.39 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 2ff0 h THR 40 Cb 0.45 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2ff0 h THR 40 CO -0.29 0.09 -0.18 -0.37 0.37 0.00 0.00 175.52 175.13 2ff0 h VAL 41 N -0.99 1.29 -0.92 3.16 -1.51 -0.79 0.18 116.25 116.67 2ff0 h VAL 41 Ca -0.05 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.10 2ff0 h VAL 41 Cb 0.51 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 31.09 2ff0 h VAL 41 CO 0.08 0.42 0.54 1.56 -1.23 0.00 0.00 177.57 178.94 2ff0 h GLN 42 N 0.44 1.27 -0.01 5.19 4.20 -1.00 -1.96 115.11 123.23 2ff0 h GLN 42 Ca 0.07 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2ff0 h GLN 42 Cb 0.72 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2ff0 h GLN 42 CO 0.05 0.90 -0.23 0.09 -0.67 0.00 0.00 178.83 178.97 2ff0 n ASN 43 N -4.34 1.62 -3.42 1.46 3.02 -1.20 -4.93 115.26 107.47 2ff0 n ASN 43 Ca 0.10 -1.31 -0.24 0.00 -0.03 0.00 0.00 54.58 53.10 2ff0 n ASN 43 Cb 0.07 0.18 0.06 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.08 -6.17 -4.69 6.41 3.02 -0.20 -4.90 115.26 108.64 2ff0 n ASN 44 Ca 0.13 -0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 2ff0 n ASN 44 Cb 0.41 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.65 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ff0 s LYS 45 N -6.13 4.26 -0.34 3.52 1.02 0.46 -4.99 119.74 117.53 2ff0 s LYS 45 Ca 0.50 2.11 -0.08 0.00 0.02 0.00 0.00 55.97 58.52 2ff0 s LYS 45 Cb -0.22 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2ff0 s LYS 45 CO 0.61 -0.61 0.13 -1.01 -0.92 0.00 0.00 175.35 173.55 2ff0 s HIS 46 N 2.28 3.23 0.74 3.18 3.76 -1.26 -4.85 115.29 122.36 2ff0 s HIS 46 Ca 0.67 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.31 2ff0 s HIS 46 Cb -0.35 -2.31 0.09 0.00 1.11 0.00 0.00 32.58 31.11 2ff0 s HIS 46 CO 0.29 -0.67 1.05 0.71 -0.85 0.00 0.00 174.74 175.26 2ff0 s TYR 47 N 1.46 2.56 -0.05 1.40 2.02 -1.26 -5.10 117.35 118.38 2ff0 s TYR 47 Ca 0.00 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 2ff0 s TYR 47 Cb -0.19 -3.28 0.04 0.00 -0.40 0.00 0.00 41.96 38.13 2ff0 s TYR 47 CO 0.04 -1.60 0.10 0.99 -1.57 0.00 0.00 175.55 173.51 2ff0 s THR 48 N -3.30 -0.14 -0.06 -0.71 2.01 -1.26 -4.95 115.64 107.22 2ff0 s THR 48 Ca 0.63 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 2ff0 s THR 48 Cb -0.09 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 2ff0 s THR 48 CO 0.46 0.14 -0.07 0.00 -0.69 0.00 0.00 174.62 174.46 2ff0 n THR 50 N -2.94 0.00 0.00 0.00 -2.24 -1.26 -4.70 114.28 103.14 2ff0 n THR 50 Ca -0.11 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2ff0 n THR 50 Cb 0.60 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ff0 n GLU 51 N -3.46 0.00 -3.50 -0.78 -0.58 -1.26 -4.21 120.64 106.86 2ff0 n GLU 51 Ca -0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.43 2ff0 n GLU 51 Cb 0.63 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.37 2ff0 n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ff0 s SER 52 N 0.00 3.15 0.26 1.62 0.01 -1.26 -4.96 113.70 112.51 2ff0 s SER 52 Ca 0.00 -2.00 0.23 0.00 1.31 0.00 0.00 55.95 55.49 2ff0 s SER 52 Cb 0.00 -0.43 0.99 0.00 0.21 0.00 0.00 66.02 66.80 2ff0 s SER 52 CO 0.00 -0.34 1.68 0.00 0.41 0.00 0.00 173.24 174.99 2ff0 n GLN 53 N 4.30 0.17 -3.65 12.44 6.02 -1.26 -3.73 117.38 131.69 2ff0 n GLN 53 Ca 0.08 0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 57.16 2ff0 n GLN 53 Cb 0.38 -1.87 -0.07 0.00 1.02 0.00 0.00 30.24 29.70 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ff0 s SER 54 N -4.15 5.80 0.45 1.08 0.15 -1.26 -4.30 113.70 111.47 2ff0 s SER 54 Ca 0.03 -3.41 0.02 0.00 0.70 0.00 0.00 55.95 53.29 2ff0 s SER 54 Cb 0.09 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2ff0 s SER 54 CO 0.34 -0.26 0.66 0.00 1.20 0.00 0.00 173.24 175.18 2ff0 s LYS 56 N -4.53 2.93 -0.34 0.00 1.02 -1.26 -4.94 119.74 112.61 2ff0 s LYS 56 Ca 0.50 0.35 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 2ff0 s LYS 56 Cb -0.10 -4.28 0.01 0.00 -0.52 0.00 0.00 37.83 32.94 2ff0 s LYS 56 CO 0.37 -2.40 1.31 0.42 -0.92 0.00 0.00 175.35 174.13 2ff0 s ILE 57 N 7.51 4.09 0.24 2.17 -1.09 -1.26 -4.55 121.20 128.31 2ff0 s ILE 57 Ca 0.55 1.19 0.05 0.00 -2.23 0.00 0.00 60.65 60.22 2ff0 s ILE 57 Cb -0.11 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 2ff0 s ILE 57 CO 0.20 -0.59 0.21 -0.67 -1.23 0.00 0.00 174.94 172.86 2ff0 n ASP 58 N 7.95 -0.54 0.15 3.58 2.03 -1.26 -4.77 116.55 123.69 2ff0 n ASP 58 Ca 0.15 -2.55 0.13 0.00 0.52 0.00 0.00 54.79 53.04 2ff0 n ASP 58 Cb 0.47 1.23 0.45 0.00 -0.72 0.00 0.00 41.12 42.56 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 -1.93 -0.24 116.57 115.30 2ff0 h LYS 59 Ca -0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2ff0 h LYS 59 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2ff0 h LYS 59 CO 0.24 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.91 2ff0 h THR 60 N 0.00 1.79 -0.51 -0.16 1.35 -1.93 -3.37 112.91 110.08 2ff0 h THR 60 Ca 0.00 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 2ff0 h THR 60 Cb 0.59 3.39 0.00 0.00 -1.73 0.00 0.00 68.15 70.40 2ff0 h THR 60 CO 0.00 0.61 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 2ff0 n GLN 61 N -4.61 4.07 -0.24 4.72 6.02 -1.15 -4.43 117.38 121.76 2ff0 n GLN 61 Ca -0.10 -2.63 -0.06 0.00 -0.01 0.00 0.00 57.00 54.19 2ff0 n GLN 61 Cb 0.48 -2.06 0.07 0.00 1.02 0.00 0.00 30.24 29.75 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 3.46 1.10 0.00 -1.09 0.11 -1.20 -1.93 114.38 114.82 2ff0 h ARG 62 Ca 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2ff0 h ARG 62 Cb 1.64 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.57 2ff0 h ARG 62 CO 0.36 0.96 -1.44 1.63 0.10 0.00 0.00 179.97 181.58 2ff0 n LYS 63 N -4.24 0.54 -0.01 0.08 5.02 -1.26 -4.41 118.16 113.89 2ff0 n LYS 63 Ca 0.05 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2ff0 n LYS 63 Cb 0.25 -1.63 0.04 0.00 -0.02 0.00 0.00 35.03 33.67 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ff0 h ARG 64 N 0.00 0.61 -2.95 1.97 3.08 -1.69 -3.36 114.38 112.03 2ff0 h ARG 64 Ca 0.00 -0.38 -0.61 0.00 0.07 0.00 0.00 59.98 59.05 2ff0 h ARG 64 Cb 0.92 0.04 -0.41 0.00 0.08 0.00 0.00 29.97 30.61 2ff0 h ARG 64 CO 0.00 0.99 -0.71 0.00 -1.07 0.00 0.00 179.97 179.19 2ff0 h PRO 66 N 5.98 0.95 -0.16 0.00 0.11 -1.78 -0.33 132.00 136.77 2ff0 h PRO 66 Ca 0.09 -0.25 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 2ff0 h PRO 66 Cb 0.85 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2ff0 h PRO 66 CO 0.58 0.90 0.02 0.35 -0.21 0.00 0.00 178.00 179.64 2ff0 h PHE 67 N 0.89 0.28 -0.41 0.65 3.57 -1.92 -0.50 116.94 119.50 2ff0 h PHE 67 Ca 0.18 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2ff0 h PHE 67 Cb 0.43 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2ff0 h PHE 67 CO 0.03 0.43 0.02 0.00 -2.23 0.00 0.00 178.31 176.56 2ff0 h ARG 69 N 0.62 0.47 -0.44 0.00 2.43 -0.83 0.03 114.38 116.66 2ff0 h ARG 69 Ca 0.13 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2ff0 h ARG 69 Cb 0.36 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2ff0 h ARG 69 CO 0.01 0.42 0.23 0.35 -1.51 0.00 0.00 179.97 179.47 2ff0 h PHE 70 N 0.40 0.60 -0.86 2.20 3.57 -0.53 -0.72 116.94 121.60 2ff0 h PHE 70 Ca 0.11 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2ff0 h PHE 70 Cb 0.10 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2ff0 h PHE 70 CO -0.02 0.46 0.56 1.96 -2.23 0.00 0.00 178.31 179.04 2ff0 h GLN 71 N 0.57 0.86 0.00 1.11 1.08 -0.30 -0.24 115.11 118.19 2ff0 h GLN 71 Ca 0.15 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 2ff0 h GLN 71 Cb 0.07 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 2ff0 h GLN 71 CO -0.02 0.57 -0.59 -0.22 -0.95 0.00 0.00 178.83 177.61 2ff0 h LYS 72 N 0.89 0.00 -0.53 1.46 3.64 -0.52 0.16 116.57 121.67 2ff0 h LYS 72 Ca 0.39 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.82 2ff0 h LYS 72 Cb 0.35 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2ff0 h LYS 72 CO -0.16 0.59 0.27 0.00 -2.27 0.00 0.00 179.45 177.89 2ff0 h LEU 74 N 0.52 0.26 -0.42 0.00 4.07 -1.26 0.15 115.31 118.63 2ff0 h LEU 74 Ca 0.23 -0.16 0.07 0.00 0.08 0.00 0.00 57.88 58.10 2ff0 h LEU 74 Cb 0.15 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 2ff0 h LEU 74 CO -0.16 0.83 0.08 0.74 -1.08 0.00 0.00 178.44 178.85 2ff0 h THR 75 N 0.16 0.77 0.01 0.22 2.02 0.60 -2.85 112.91 113.84 2ff0 h THR 75 Ca -0.01 -0.07 -0.22 0.00 0.77 0.00 0.00 66.41 66.88 2ff0 h THR 75 Cb 1.17 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2ff0 h THR 75 CO 0.10 0.04 -1.02 -0.37 0.37 0.00 0.00 175.52 174.64 2ff0 h VAL 76 N 0.21 1.70 0.00 3.16 -1.51 -0.26 -3.48 116.25 116.07 2ff0 h VAL 76 Ca 0.20 -3.40 0.00 0.00 -1.23 0.00 0.00 66.70 62.28 2ff0 h VAL 76 Cb 0.25 2.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2ff0 h VAL 76 CO -0.27 0.97 0.00 0.61 -1.23 0.00 0.00 177.57 177.65 2ff0 n GLY 77 N 1.37 1.17 3.67 5.19 0.00 -0.81 -5.08 105.19 110.68 2ff0 n GLY 77 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.30 0.03 1.61 1.00 0.47 -4.70 119.30 122.01 2ff0 s MET 78 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 55.69 56.83 2ff0 s MET 78 Cb 0.00 -3.63 -0.07 0.00 0.00 0.00 0.00 34.83 31.13 2ff0 s MET 78 CO 0.00 -0.56 1.49 1.03 0.00 0.00 0.00 175.02 176.99 2ff0 s ARG 79 N 2.91 4.25 -0.03 2.03 1.81 -1.10 -4.56 118.95 124.26 2ff0 s ARG 79 Ca 0.48 2.11 -0.23 0.00 -1.72 0.00 0.00 55.73 56.37 2ff0 s ARG 79 Cb -0.18 -3.56 -0.23 0.00 -0.45 0.00 0.00 34.95 30.53 2ff0 s ARG 79 CO 0.12 -0.63 1.07 -0.07 -0.68 0.00 0.00 175.30 175.11 2ff0 h LEU 80 N 8.34 0.33 0.00 2.53 -0.00 -1.93 -3.23 115.31 121.35 2ff0 h LEU 80 Ca -0.40 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 56.73 2ff0 h LEU 80 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2ff0 h LEU 80 CO 0.91 1.04 0.00 -1.84 -0.00 0.00 0.00 178.44 178.55 2ff0 n GLU 81 N -4.42 0.87 0.06 1.13 0.00 -1.26 -2.88 120.64 114.14 2ff0 n GLU 81 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.00 2ff0 n GLU 81 Cb 0.55 -1.35 -0.11 0.00 0.00 0.00 0.00 31.44 30.53 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ff0 h ALA 82 N 3.43 0.44 -2.69 -1.84 0.00 -1.96 -3.46 119.26 113.18 2ff0 h ALA 82 Ca 0.00 -0.93 -0.50 0.00 0.00 0.00 0.00 54.91 53.48 2ff0 h ALA 82 Cb 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 17.76 2ff0 h ALA 82 CO 0.00 1.22 0.48 0.14 0.00 0.00 0.00 179.25 181.09 2ff0 s VAL 83 N -2.72 3.31 -0.61 0.00 -7.23 -1.14 -5.00 120.40 107.01 2ff0 s VAL 83 Ca 0.01 1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 61.27 2ff0 s VAL 83 Cb 0.09 -3.61 0.15 0.00 0.56 0.00 0.00 36.38 33.57 2ff0 s VAL 83 CO 0.81 0.10 0.40 -0.13 -0.31 0.00 0.00 175.10 175.97 2ff0 s ARG 84 N -2.26 2.40 0.42 4.82 0.52 -1.26 -4.90 118.95 118.70 2ff0 s ARG 84 Ca 0.56 -2.64 0.28 0.00 -0.52 0.00 0.00 55.73 53.41 2ff0 s ARG 84 Cb -0.29 -3.59 1.52 0.00 0.52 0.00 0.00 34.95 33.11 2ff0 s ARG 84 CO 0.36 -1.16 1.85 0.00 0.02 0.00 0.00 175.30 176.38 2ff0 h ALA 85 N 6.72 1.01 0.00 2.13 0.00 -1.94 0.77 119.26 127.95 2ff0 h ALA 85 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ff0 h ALA 85 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2ff0 h ALA 85 CO 0.71 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.70 2ff0 n ASP 86 N -2.49 0.00 -2.37 0.00 9.92 -1.26 -4.91 116.55 115.44 2ff0 n ASP 86 Ca -0.02 -0.44 -0.02 0.00 -0.53 0.00 0.00 54.79 53.78 2ff0 n ASP 86 Cb 0.06 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2ff0 n ARG 87 N -1.06 -2.05 -3.68 -1.24 0.00 0.26 -5.07 116.66 103.83 2ff0 n ARG 87 Ca 0.12 1.86 -0.17 0.00 -0.00 0.00 0.00 57.85 59.66 2ff0 n ARG 87 Cb 0.08 -4.15 -0.16 0.00 0.00 0.00 0.00 32.46 28.22 2ff0 n ARG 87 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2ff0 s MET 88 N -1.56 0.01 -1.60 -0.14 1.75 -1.25 -5.06 119.30 111.46 2ff0 s MET 88 Ca 0.08 0.49 -0.10 0.00 -1.25 0.00 0.00 55.69 54.91 2ff0 s MET 88 Cb -0.02 -0.31 -0.07 0.00 2.84 0.00 0.00 34.83 37.26 2ff0 s MET 88 CO 0.53 -0.29 2.92 0.54 -0.65 0.00 0.00 175.02 178.06 2ff0 n ARG 89 N 5.16 3.79 0.00 4.11 1.74 -1.26 -4.69 116.66 125.51 2ff0 n ARG 89 Ca -0.07 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 2ff0 n ARG 89 Cb 0.50 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ff0 n GLY 90 N 3.41 -0.41 1.80 -0.13 0.00 -1.26 -5.06 105.19 103.55 2ff0 n GLY 90 Ca 0.78 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.57 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 0.24 3.50 -0.02 0.00 -1.26 -4.95 105.19 102.69 2ff0 n GLY 91 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.56 3.71 0.08 1.61 0.52 -1.26 -4.63 118.95 114.42 2ff0 s ARG 92 Ca 0.03 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 2ff0 s ARG 92 Cb -0.01 -5.13 0.00 0.00 0.52 0.00 0.00 34.95 30.33 2ff0 s ARG 92 CO 0.22 -1.95 0.00 -1.71 0.02 0.00 0.00 175.30 171.88 2ff0 n ASN 93 N 7.28 0.85 -0.25 0.23 2.85 -1.26 -4.15 115.26 120.80 2ff0 n ASN 93 Ca 0.31 0.11 -0.06 0.00 -0.11 0.00 0.00 54.58 54.83 2ff0 n ASN 93 Cb 0.48 -0.26 0.05 0.00 1.24 0.00 0.00 39.78 41.30 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2ff0 h LYS 94 N 0.00 0.99 0.00 1.20 1.63 -1.98 -3.04 116.57 115.37 2ff0 h LYS 94 Ca 0.00 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2ff0 h LYS 94 Cb 0.00 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 2ff0 h LYS 94 CO 0.00 0.77 -0.01 1.19 -3.45 0.00 0.00 179.45 177.95 2ff0 n PHE 95 N -4.46 0.00 0.42 1.91 3.72 -1.26 -4.83 117.46 112.96 2ff0 n PHE 95 Ca 0.06 -0.94 -0.17 0.00 -0.05 0.00 0.00 57.45 56.35 2ff0 n PHE 95 Cb 0.12 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2ff0 h GLY 96 N 0.00 -1.13 1.03 1.37 0.00 -1.69 -3.24 103.07 99.40 2ff0 h GLY 96 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 47.33 47.87 2ff0 h GLY 96 CO 0.00 -0.41 0.38 -2.55 0.00 0.00 0.00 176.54 173.96 2ff0 h PRO 97 N -1.26 0.22 0.00 4.80 0.11 -1.85 -2.37 132.00 131.66 2ff0 h PRO 97 Ca -0.11 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 2ff0 h PRO 97 Cb 0.83 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2ff0 h PRO 97 CO 0.18 0.15 -0.19 0.00 -0.21 0.00 0.00 178.00 177.93 2ff0 h MET 98 N 0.23 0.00 0.47 1.05 -0.00 -1.92 -0.68 114.93 114.08 2ff0 h MET 98 Ca 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.94 2ff0 h MET 98 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2ff0 h MET 98 CO -0.05 0.19 -0.22 1.88 -0.00 0.00 0.00 176.91 178.71 2ff0 h TYR 99 N 0.00 -0.58 0.00 -0.10 0.05 -1.52 -0.43 116.97 114.38 2ff0 h TYR 99 Ca -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2ff0 h TYR 99 Cb 0.36 0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 2ff0 h TYR 99 CO 0.00 -0.34 -0.05 0.87 -1.05 0.00 0.00 178.16 177.60 2ff0 h LYS 100 N -0.67 0.00 0.51 4.88 1.57 -1.64 -1.74 116.57 119.47 2ff0 h LYS 100 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ff0 h LYS 100 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2ff0 h LYS 100 CO 0.11 0.05 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.70 2ff0 h ARG 101 N 0.00 -0.66 -0.51 3.15 2.43 -0.70 -1.77 114.38 116.32 2ff0 h ARG 101 Ca -0.00 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2ff0 h ARG 101 Cb 0.63 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2ff0 h ARG 101 CO 0.01 -0.39 0.34 -0.44 -1.51 0.00 0.00 179.97 177.97 2ff0 h ASP 102 N -0.77 0.51 -0.20 -3.80 5.19 -0.77 0.16 116.42 116.73 2ff0 h ASP 102 Ca -0.07 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.38 2ff0 h ASP 102 Cb 0.56 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 2ff0 h ASP 102 CO 0.11 0.36 -0.11 0.03 -3.12 0.00 0.00 179.24 176.51 2ff0 h ARG 103 N 0.60 -0.09 0.00 3.56 2.47 -1.13 0.12 114.38 119.90 2ff0 h ARG 103 Ca 0.20 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.83 2ff0 h ARG 103 Cb 0.07 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2ff0 h ARG 103 CO -0.05 -0.06 -0.45 0.00 0.56 0.00 0.00 179.97 179.96 2ff0 h ALA 104 N 1.07 0.94 0.02 0.04 0.00 -0.33 -2.43 119.26 118.58 2ff0 h ALA 104 Ca 0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2ff0 h ALA 104 Cb 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ff0 h ALA 104 CO -0.26 0.56 -0.41 -0.07 0.00 0.00 0.00 179.25 179.07 2ff0 h LEU 105 N 0.00 0.33 -0.08 0.00 3.38 -0.66 -3.21 115.31 115.07 2ff0 h LEU 105 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2ff0 h LEU 105 Cb 1.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2ff0 h LEU 105 CO 0.06 1.10 0.00 0.29 0.09 0.00 0.00 178.44 179.98 2ff0 n LYS 106 N -4.38 0.26 0.16 1.13 5.02 0.37 -2.31 118.16 118.42 2ff0 n LYS 106 Ca -0.10 0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 2ff0 n LYS 106 Cb 0.60 -1.82 0.08 0.00 -0.02 0.00 0.00 35.03 33.86 2ff0 n LYS 106 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2ff0 h GLN 107 N 0.00 0.00 -6.31 1.97 3.07 -1.53 -3.10 115.11 109.20 2ff0 h GLN 107 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.17 2ff0 h GLN 107 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.23 2ff0 h GLN 107 CO 0.00 0.20 1.16 -1.14 0.09 0.00 0.00 178.83 179.13 2ff0 s GLN 108 N -3.12 3.65 0.00 0.06 0.74 -0.98 -1.61 119.66 118.41 2ff0 s GLN 108 Ca 0.04 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.95 2ff0 s GLN 108 Cb 0.07 -4.07 0.00 0.00 1.10 0.00 0.00 33.01 30.11 2ff0 s GLN 108 CO 0.72 -1.47 0.00 1.17 -0.55 0.00 0.00 175.29 175.16 2ff0 n LYS 109 N 7.90 0.00 -2.94 1.67 4.81 -1.26 -3.01 118.16 125.34 2ff0 n LYS 109 Ca 0.19 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.42 2ff0 n LYS 109 Cb 0.46 -3.77 0.02 0.00 0.02 0.00 0.00 35.03 31.76 2ff0 n LYS 109 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ff0 n LYS 110 N -2.00 -4.02 0.00 1.64 5.02 -0.63 -5.18 118.16 112.99 2ff0 n LYS 110 Ca 0.00 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2ff0 n LYS 110 Cb 0.00 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.36 2ff0 n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88