#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 0.39 0.21 -1.24 2.02 -1.26 -5.10 118.70 113.72 2ff0 s GLU 11 Ca 0.00 -0.46 0.11 0.00 0.02 0.00 0.00 54.97 54.64 2ff0 s GLU 11 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2ff0 s GLU 11 CO 0.00 -0.08 -0.22 -0.51 0.02 0.00 0.00 175.26 174.47 2ff0 s LEU 12 N -1.34 2.47 0.36 1.80 1.02 -1.26 -1.37 118.68 120.37 2ff0 s LEU 12 Ca -0.14 -0.91 -0.28 0.00 0.02 0.00 0.00 54.13 52.81 2ff0 s LEU 12 Cb -0.08 -1.08 -0.11 0.00 0.02 0.00 0.00 46.19 44.93 2ff0 s LEU 12 CO 0.00 0.07 1.50 0.00 0.02 0.00 0.00 176.35 177.94 2ff0 n PRO 14 N 0.73 0.65 0.00 0.00 -0.04 -1.26 -2.33 135.00 132.74 2ff0 n PRO 14 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2ff0 n PRO 14 Cb 0.39 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.87 0.00 0.08 0.52 3.14 -1.26 -4.88 118.33 115.07 2ff0 n VAL 15 Ca 0.11 0.05 -0.09 0.00 -2.96 0.00 0.00 64.34 61.46 2ff0 n VAL 15 Cb 0.05 -0.83 -0.07 0.00 -1.06 0.00 0.00 33.84 31.93 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 1.17 1.00 3.70 0.00 0.00 -0.99 -4.53 105.19 105.55 2ff0 n GLY 17 Ca -0.03 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.55 4.88 -0.18 1.61 1.01 -1.26 -4.67 116.67 115.51 2ff0 s ASP 18 Ca 0.00 -0.44 -0.37 0.00 0.71 0.00 0.00 52.55 52.45 2ff0 s ASP 18 Cb 0.00 -1.05 -0.14 0.00 1.01 0.00 0.00 42.92 42.74 2ff0 s ASP 18 CO 0.00 0.03 1.82 0.29 0.21 0.00 0.00 175.17 177.52 2ff0 n LYS 19 N -0.61 1.69 -1.88 8.23 4.76 -1.26 0.18 118.16 129.26 2ff0 n LYS 19 Ca -0.08 0.62 -0.41 0.00 -2.87 0.00 0.00 58.31 55.57 2ff0 n LYS 19 Cb 0.57 -2.39 -0.02 0.00 -1.84 0.00 0.00 35.03 31.35 2ff0 n LYS 19 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ff0 s VAL 20 N 3.85 2.31 -0.21 -0.18 -7.23 -0.47 -4.31 120.40 114.17 2ff0 s VAL 20 Ca 0.96 0.27 0.11 0.00 -1.81 0.00 0.00 61.98 61.51 2ff0 s VAL 20 Cb -0.87 -3.17 -0.22 0.00 0.56 0.00 0.00 36.38 32.67 2ff0 s VAL 20 CO 0.59 0.05 0.01 -0.24 -0.31 0.00 0.00 175.10 175.20 2ff0 n SER 21 N 1.98 0.85 0.00 4.85 2.88 0.22 -4.86 113.62 119.54 2ff0 n SER 21 Ca 0.06 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2ff0 n SER 21 Cb 0.39 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 1.93 -1.45 3.59 0.46 0.00 -0.61 -4.99 105.19 104.12 2ff0 n GLY 22 Ca -0.37 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.94 2.53 -0.08 1.61 1.51 -1.26 -0.07 117.35 118.65 2ff0 s TYR 23 Ca 0.00 0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 56.68 2ff0 s TYR 23 Cb 0.00 -4.39 0.02 0.00 -0.11 0.00 0.00 41.96 37.48 2ff0 s TYR 23 CO 0.00 -1.72 -0.04 -1.01 -1.11 0.00 0.00 175.55 171.67 2ff0 s HIS 24 N 5.19 1.02 0.00 2.71 3.76 0.28 -4.87 115.29 123.38 2ff0 s HIS 24 Ca 0.54 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 2ff0 s HIS 24 Cb -0.10 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2ff0 s HIS 24 CO 0.30 -0.37 0.00 0.66 -0.85 0.00 0.00 174.74 174.49 2ff0 n TYR 25 N 4.80 0.00 0.00 1.40 4.01 -1.26 -3.31 117.16 122.80 2ff0 n TYR 25 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2ff0 n TYR 25 Cb 0.50 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.00 0.12 0.00 2.72 0.00 -1.25 -0.92 105.19 103.86 2ff0 n GLY 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.57 0.99 -0.00 -1.21 -4.88 117.00 107.34 2ff0 n LEU 27 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2ff0 n LEU 27 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2ff0 n LEU 27 CO 0.00 0.00 1.88 0.18 -0.00 0.00 0.00 177.39 179.45 2ff0 n LEU 28 N 0.00 2.94 -4.20 1.47 4.77 -1.26 -0.56 117.00 120.16 2ff0 n LEU 28 Ca 0.00 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2ff0 n LEU 28 Cb 0.00 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.48 2ff0 n LEU 28 CO 0.00 -0.82 -0.33 0.42 -1.33 0.00 0.00 177.39 175.33 2ff0 s THR 29 N 8.75 0.50 0.67 -5.08 -4.23 0.90 -4.64 115.64 112.51 2ff0 s THR 29 Ca 1.02 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2ff0 s THR 29 Cb -0.40 -2.04 0.11 0.00 1.34 0.00 0.00 72.50 71.51 2ff0 s THR 29 CO 0.36 -0.52 0.93 0.00 -0.54 0.00 0.00 174.62 174.85 2ff0 h GLU 31 N -0.34 0.00 -0.22 0.00 4.39 -1.96 -2.25 114.58 114.21 2ff0 h GLU 31 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2ff0 h GLU 31 Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2ff0 h GLU 31 CO 0.42 0.00 0.14 0.77 -1.16 0.00 0.00 179.01 179.18 2ff0 h SER 32 N 0.00 0.26 0.24 1.42 0.02 -1.93 0.42 113.55 113.98 2ff0 h SER 32 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2ff0 h SER 32 Cb 0.61 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2ff0 h SER 32 CO 0.00 0.22 -0.12 0.00 -1.14 0.00 0.00 176.83 175.79 2ff0 h LYS 34 N -0.57 0.10 -0.10 0.00 3.64 -1.31 0.33 116.57 118.67 2ff0 h LYS 34 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2ff0 h LYS 34 Cb 0.41 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2ff0 h LYS 34 CO 0.05 0.07 -0.01 0.78 -2.27 0.00 0.00 179.45 178.07 2ff0 h GLY 35 N 0.11 0.20 1.05 5.01 0.00 -0.18 -2.26 103.07 106.99 2ff0 h GLY 35 Ca 0.24 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2ff0 h GLY 35 CO -0.40 0.14 0.22 -2.75 0.00 0.00 0.00 176.54 173.75 2ff0 h PHE 36 N -0.11 1.17 -0.08 5.60 3.57 -1.04 -1.82 116.94 124.23 2ff0 h PHE 36 Ca 0.03 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.43 2ff0 h PHE 36 Cb 0.39 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2ff0 h PHE 36 CO 0.04 0.93 -0.04 0.35 -2.23 0.00 0.00 178.31 177.37 2ff0 h PHE 37 N 1.07 -0.09 -0.54 0.41 3.57 -0.31 -1.52 116.94 119.54 2ff0 h PHE 37 Ca 0.23 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2ff0 h PHE 37 Cb 0.31 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2ff0 h PHE 37 CO 0.03 -0.06 0.31 0.87 -2.23 0.00 0.00 178.31 177.23 2ff0 h LYS 38 N -0.03 0.75 -0.38 1.11 1.57 -1.22 -0.61 116.57 117.76 2ff0 h LYS 38 Ca 0.05 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2ff0 h LYS 38 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2ff0 h LYS 38 CO -0.10 0.56 0.25 0.00 -0.57 0.00 0.00 179.45 179.59 2ff0 h ARG 39 N 0.73 0.38 0.29 3.15 3.08 -0.98 0.89 114.38 121.92 2ff0 h ARG 39 Ca 0.19 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2ff0 h ARG 39 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2ff0 h ARG 39 CO -0.03 0.25 -0.14 1.15 -1.07 0.00 0.00 179.97 180.13 2ff0 h THR 40 N 0.39 0.00 -0.10 2.04 2.02 -0.66 -3.23 112.91 113.37 2ff0 h THR 40 Ca 0.15 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2ff0 h THR 40 Cb 0.13 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2ff0 h THR 40 CO -0.04 0.00 0.04 -0.37 0.37 0.00 0.00 175.52 175.52 2ff0 h VAL 41 N -1.03 1.16 -0.07 3.16 -1.51 -0.93 0.21 116.25 117.24 2ff0 h VAL 41 Ca -0.04 -0.49 -0.17 0.00 -1.23 0.00 0.00 66.70 64.77 2ff0 h VAL 41 Cb 0.30 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2ff0 h VAL 41 CO 0.07 0.14 -0.68 1.56 -1.23 0.00 0.00 177.57 177.43 2ff0 h GLN 42 N -0.01 0.30 -0.04 5.19 4.20 -1.02 -2.45 115.11 121.27 2ff0 h GLN 42 Ca 0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2ff0 h GLN 42 Cb 0.20 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2ff0 h GLN 42 CO -0.00 0.87 0.00 0.09 -0.67 0.00 0.00 178.83 179.12 2ff0 n ASN 43 N -3.83 0.68 -3.64 1.46 5.03 -1.22 -4.90 115.26 108.85 2ff0 n ASN 43 Ca -0.03 -1.41 -0.24 0.00 0.87 0.00 0.00 54.58 53.77 2ff0 n ASN 43 Cb 0.67 -0.03 0.07 0.00 -1.02 0.00 0.00 39.78 39.48 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2ff0 n ASN 44 N -0.39 -4.92 -4.87 6.41 3.02 -0.92 -4.97 115.26 108.62 2ff0 n ASN 44 Ca 0.18 -0.62 -0.34 0.00 -0.03 0.00 0.00 54.58 53.76 2ff0 n ASN 44 Cb 0.19 -4.76 -0.05 0.00 -0.61 0.00 0.00 39.78 34.55 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 -6.18 3.76 -0.03 3.52 1.02 0.73 -5.04 119.74 117.52 2ff0 s LYS 45 Ca 0.45 0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.63 2ff0 s LYS 45 Cb -0.21 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2ff0 s LYS 45 CO 0.76 0.54 -0.01 -3.38 -0.92 0.00 0.00 175.35 172.34 2ff0 s HIS 46 N -1.43 0.38 0.52 3.18 -3.43 -1.26 -4.64 115.29 108.61 2ff0 s HIS 46 Ca 0.34 -0.03 0.07 0.00 -0.80 0.00 0.00 55.06 54.64 2ff0 s HIS 46 Cb -0.14 -0.44 0.04 0.00 -1.43 0.00 0.00 32.58 30.62 2ff0 s HIS 46 CO 0.19 -0.13 0.54 0.71 -2.00 0.00 0.00 174.74 174.04 2ff0 s TYR 47 N 0.97 1.81 0.28 0.38 2.02 -1.26 -5.09 117.35 116.45 2ff0 s TYR 47 Ca -0.10 -0.72 0.05 0.00 -0.37 0.00 0.00 57.07 55.93 2ff0 s TYR 47 Cb -0.14 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2ff0 s TYR 47 CO -0.01 -0.64 0.19 -2.37 -1.57 0.00 0.00 175.55 171.15 2ff0 n THR 48 N -1.89 0.00 -4.39 -0.71 5.66 -1.26 -4.78 114.28 106.91 2ff0 n THR 48 Ca 0.06 -1.90 -0.23 0.00 -3.05 0.00 0.00 64.05 58.93 2ff0 n THR 48 Cb 0.63 0.87 -0.11 0.00 -1.55 0.00 0.00 70.33 70.17 2ff0 n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ff0 n THR 50 N -0.00 0.36 -1.09 0.00 5.66 -1.26 -4.95 114.28 113.00 2ff0 n THR 50 Ca -0.11 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2ff0 n THR 50 Cb 0.58 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ff0 n GLU 51 N 0.68 2.02 -0.19 1.09 1.02 -1.26 -5.00 120.64 119.00 2ff0 n GLU 51 Ca 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 2ff0 n GLU 51 Cb 0.36 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.87 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ff0 n SER 52 N 0.00 2.00 0.00 1.62 7.64 -1.26 -4.89 113.62 118.72 2ff0 n SER 52 Ca 0.00 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2ff0 n SER 52 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2ff0 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ff0 n GLN 53 N 0.13 0.00 -2.25 1.43 6.02 -1.26 -4.71 117.38 116.73 2ff0 n GLN 53 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 2ff0 n GLN 53 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2ff0 n GLN 53 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2ff0 n SER 54 N 2.21 4.92 -3.44 1.08 3.41 -1.26 -4.65 113.62 115.88 2ff0 n SER 54 Ca 0.00 -3.07 -0.19 0.00 -0.26 0.00 0.00 58.87 55.35 2ff0 n SER 54 Cb 0.00 -1.50 0.12 0.00 -0.26 0.00 0.00 64.21 62.57 2ff0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ff0 s LYS 56 N -4.74 3.78 -0.64 0.00 -0.14 -1.26 -5.02 119.74 111.73 2ff0 s LYS 56 Ca 0.49 0.09 -0.26 0.00 -1.36 0.00 0.00 55.97 54.93 2ff0 s LYS 56 Cb -0.02 -3.76 0.04 0.00 -1.68 0.00 0.00 37.83 32.41 2ff0 s LYS 56 CO 0.34 -0.61 1.13 0.42 -0.76 0.00 0.00 175.35 175.87 2ff0 s ILE 57 N 2.53 4.05 0.49 2.17 -1.09 -1.26 -4.74 121.20 123.36 2ff0 s ILE 57 Ca 0.22 0.43 0.03 0.00 -2.23 0.00 0.00 60.65 59.10 2ff0 s ILE 57 Cb -0.15 -4.74 -0.02 0.00 -1.58 0.00 0.00 42.46 35.97 2ff0 s ILE 57 CO 0.13 -1.47 0.03 -1.81 -1.23 0.00 0.00 174.94 170.59 2ff0 s ASP 58 N 3.28 4.13 0.28 3.58 1.11 -1.26 -4.90 116.67 122.89 2ff0 s ASP 58 Ca 0.35 -1.57 -0.02 0.00 0.18 0.00 0.00 52.55 51.49 2ff0 s ASP 58 Cb -0.10 0.33 0.40 0.00 1.07 0.00 0.00 42.92 44.61 2ff0 s ASP 58 CO 0.19 -0.79 1.85 0.50 1.18 0.00 0.00 175.17 178.10 2ff0 h LYS 59 N 1.39 0.90 0.07 8.23 3.64 -1.94 0.30 116.57 129.16 2ff0 h LYS 59 Ca -0.44 -0.15 -0.32 0.00 -1.27 0.00 0.00 60.65 58.47 2ff0 h LYS 59 Cb 1.30 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2ff0 h LYS 59 CO 0.74 0.75 -1.78 0.00 -2.27 0.00 0.00 179.45 176.90 2ff0 h THR 60 N 0.88 0.83 0.00 1.00 1.03 -1.96 -3.37 112.91 111.31 2ff0 h THR 60 Ca 0.20 -2.59 -0.05 0.00 -0.01 0.00 0.00 66.41 63.97 2ff0 h THR 60 Cb 0.21 2.53 -0.01 0.00 -1.07 0.00 0.00 68.15 69.81 2ff0 h THR 60 CO -0.01 0.72 -0.24 1.56 -0.01 0.00 0.00 175.52 177.54 2ff0 h GLN 61 N 0.04 0.00 0.00 0.00 1.08 -1.79 -2.85 115.11 111.59 2ff0 h GLN 61 Ca -0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 2ff0 h GLN 61 Cb 2.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 2ff0 h GLN 61 CO 0.10 0.24 0.00 0.07 -0.95 0.00 0.00 178.83 178.29 2ff0 h ARG 62 N 0.00 0.00 0.00 1.46 0.11 -1.11 -0.09 114.38 114.76 2ff0 h ARG 62 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ff0 h ARG 62 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2ff0 h ARG 62 CO 0.03 0.00 -0.91 1.63 0.10 0.00 0.00 179.97 180.82 2ff0 n LYS 63 N -2.40 0.09 -0.04 0.08 5.02 -1.08 -4.16 118.16 115.66 2ff0 n LYS 63 Ca 0.02 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 2ff0 n LYS 63 Cb 0.25 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ff0 n ARG 64 N -1.63 0.69 -3.81 1.97 1.74 -0.21 -4.59 116.66 110.83 2ff0 n ARG 64 Ca 0.04 0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 57.14 2ff0 n ARG 64 Cb 0.36 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.01 2ff0 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ff0 h PRO 66 N 6.07 0.42 -0.25 0.00 0.11 -1.78 -2.22 132.00 134.35 2ff0 h PRO 66 Ca 0.08 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2ff0 h PRO 66 Cb 0.83 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2ff0 h PRO 66 CO 0.75 0.54 0.07 0.35 -0.21 0.00 0.00 178.00 179.49 2ff0 h PHE 67 N 0.40 0.42 -0.83 0.65 3.57 -1.87 0.16 116.94 119.44 2ff0 h PHE 67 Ca 0.08 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ff0 h PHE 67 Cb 0.43 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2ff0 h PHE 67 CO 0.01 0.48 0.47 0.00 -2.23 0.00 0.00 178.31 177.04 2ff0 h ARG 69 N 1.15 -0.23 -0.02 0.00 2.43 -1.18 -1.58 114.38 114.94 2ff0 h ARG 69 Ca 0.29 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2ff0 h ARG 69 Cb -0.01 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2ff0 h ARG 69 CO -0.05 -0.06 0.00 0.35 -1.51 0.00 0.00 179.97 178.70 2ff0 h PHE 70 N -0.36 0.00 -0.11 2.20 3.57 -0.41 -1.29 116.94 120.55 2ff0 h PHE 70 Ca -0.02 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2ff0 h PHE 70 Cb 0.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2ff0 h PHE 70 CO -0.03 0.00 -0.11 -0.56 -2.23 0.00 0.00 178.31 175.38 2ff0 h GLN 71 N 0.01 0.16 0.00 1.11 -0.00 -0.14 0.57 115.11 116.82 2ff0 h GLN 71 Ca 0.01 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.51 2ff0 h GLN 71 Cb 0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.45 2ff0 h GLN 71 CO -0.02 0.28 -0.57 -0.22 -0.00 0.00 0.00 178.83 178.30 2ff0 h LYS 72 N 0.15 0.00 -0.68 0.06 3.64 -0.95 -0.95 116.57 117.85 2ff0 h LYS 72 Ca 0.03 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2ff0 h LYS 72 Cb 0.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 2ff0 h LYS 72 CO 0.02 0.57 0.41 0.00 -2.27 0.00 0.00 179.45 178.18 2ff0 h LEU 74 N 0.78 0.69 -0.36 0.00 4.07 -1.19 0.78 115.31 120.09 2ff0 h LEU 74 Ca 0.29 -0.22 0.06 0.00 0.08 0.00 0.00 57.88 58.08 2ff0 h LEU 74 Cb 0.08 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 2ff0 h LEU 74 CO -0.14 0.86 0.06 0.74 -1.08 0.00 0.00 178.44 178.89 2ff0 h THR 75 N 0.62 0.80 0.00 0.22 2.02 0.20 -2.62 112.91 114.16 2ff0 h THR 75 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2ff0 h THR 75 Cb 0.63 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2ff0 h THR 75 CO 0.04 0.03 0.00 -0.37 0.37 0.00 0.00 175.52 175.60 2ff0 h VAL 76 N 0.18 0.00 0.00 3.16 -1.51 -0.45 -3.46 116.25 114.16 2ff0 h VAL 76 Ca 0.17 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2ff0 h VAL 76 Cb 0.20 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2ff0 h VAL 76 CO -0.24 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.71 2ff0 n GLY 77 N 0.68 -0.37 3.66 5.19 0.00 -0.99 -4.81 105.19 108.56 2ff0 n GLY 77 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 4.25 0.23 1.61 1.00 0.24 -3.94 119.30 122.69 2ff0 s MET 78 Ca 0.00 1.66 0.08 0.00 0.00 0.00 0.00 55.69 57.43 2ff0 s MET 78 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 34.83 31.06 2ff0 s MET 78 CO 0.00 -0.67 0.07 1.03 0.00 0.00 0.00 175.02 175.46 2ff0 s ARG 79 N 3.29 2.57 0.45 2.03 1.81 -0.10 -3.67 118.95 125.33 2ff0 s ARG 79 Ca 0.55 -1.17 0.25 0.00 -1.72 0.00 0.00 55.73 53.64 2ff0 s ARG 79 Cb -0.22 -2.38 0.65 0.00 -0.45 0.00 0.00 34.95 32.55 2ff0 s ARG 79 CO 0.16 0.41 1.72 -0.07 -0.68 0.00 0.00 175.30 176.84 2ff0 h LEU 80 N 2.05 0.00 -1.32 2.53 -0.00 -1.93 -2.91 115.31 113.73 2ff0 h LEU 80 Ca -0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.39 2ff0 h LEU 80 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2ff0 h LEU 80 CO 0.60 0.09 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.70 2ff0 h GLU 81 N 0.00 0.00 -0.01 1.13 5.08 -1.95 -2.74 114.58 116.09 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 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2ff0 h GLU 81 CO 0.01 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 2ff0 n ALA 82 N -2.16 2.65 -2.66 3.43 0.00 -1.10 -4.74 120.51 115.94 2ff0 n ALA 82 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2ff0 n ALA 82 Cb 0.36 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 2ff0 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ff0 s VAL 83 N -1.99 1.06 -0.05 0.00 0.11 -1.03 -4.85 120.40 113.64 2ff0 s VAL 83 Ca 0.43 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2ff0 s VAL 83 Cb 0.21 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2ff0 s VAL 83 CO 0.35 0.30 -0.21 -0.13 -3.33 0.00 0.00 175.10 172.07 2ff0 s ARG 84 N -0.23 2.19 0.23 1.54 0.52 -1.26 -4.96 118.95 116.98 2ff0 s ARG 84 Ca 0.04 -0.77 0.19 0.00 -0.52 0.00 0.00 55.73 54.67 2ff0 s ARG 84 Cb -0.06 -1.88 0.05 0.00 0.52 0.00 0.00 34.95 33.58 2ff0 s ARG 84 CO -0.00 0.32 1.20 0.00 0.02 0.00 0.00 175.30 176.83 2ff0 h ALA 85 N 6.15 0.68 -3.00 2.13 0.00 -1.92 -3.41 119.26 119.89 2ff0 h ALA 85 Ca -0.32 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2ff0 h ALA 85 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ff0 h ALA 85 CO 0.47 0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.87 2ff0 n ASP 86 N -2.95 0.00 0.00 0.00 8.00 -1.26 -5.01 116.55 115.33 2ff0 n ASP 86 Ca -0.01 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2ff0 n ASP 86 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2ff0 n ARG 87 N -0.10 0.00 -3.37 -1.24 3.00 -1.26 -5.15 116.66 108.55 2ff0 n ARG 87 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2ff0 n ARG 87 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 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 0.00 0.34 -0.29 -0.14 1.75 -1.26 -5.03 119.30 114.66 2ff0 s MET 88 Ca 0.00 0.39 0.10 0.00 -1.25 0.00 0.00 55.69 54.93 2ff0 s MET 88 Cb 0.00 -0.56 0.57 0.00 2.84 0.00 0.00 34.83 37.68 2ff0 s MET 88 CO 0.00 -0.73 1.57 0.54 -0.65 0.00 0.00 175.02 175.75 2ff0 n ARG 89 N 5.35 2.45 0.21 4.11 1.74 -1.26 -4.54 116.66 124.73 2ff0 n ARG 89 Ca -0.03 -3.06 0.09 0.00 -0.77 0.00 0.00 57.85 54.08 2ff0 n ARG 89 Cb 0.50 -1.94 0.41 0.00 -1.02 0.00 0.00 32.46 30.41 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ff0 h GLY 90 N 1.45 0.00 0.00 -0.13 0.00 -2.03 -3.47 103.07 98.88 2ff0 h GLY 90 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2ff0 h GLY 90 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2ff0 n GLY 91 N 0.29 2.06 3.59 4.60 0.00 -1.26 -4.86 105.19 109.62 2ff0 n GLY 91 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 3.23 0.00 1.61 0.52 -1.26 -4.87 118.95 118.19 2ff0 s ARG 92 Ca 0.00 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 2ff0 s ARG 92 Cb 0.00 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.23 2ff0 s ARG 92 CO 0.00 -1.98 0.00 -1.71 0.02 0.00 0.00 175.30 171.63 2ff0 n ASN 93 N 10.73 0.00 -0.28 0.23 2.85 -1.26 -4.92 115.26 122.61 2ff0 n ASN 93 Ca 0.24 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.80 2ff0 n ASN 93 Cb 0.47 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.74 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 0.33 -0.25 1.20 3.64 -1.93 0.54 116.57 120.10 2ff0 h LYS 94 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ff0 h LYS 94 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2ff0 h LYS 94 CO 0.00 0.22 0.00 1.19 -2.27 0.00 0.00 179.45 178.59 2ff0 n PHE 95 N -5.10 0.32 -0.07 1.91 3.72 -1.26 -4.35 117.46 112.63 2ff0 n PHE 95 Ca 0.18 -0.16 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 2ff0 n PHE 95 Cb 0.56 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 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 4.94 0.03 0.26 1.37 0.00 -1.23 -1.92 103.07 106.52 2ff0 h GLY 96 Ca 0.00 0.22 0.13 0.00 0.00 0.00 0.00 47.33 47.69 2ff0 h GLY 96 CO 0.00 -0.18 0.38 -2.55 0.00 0.00 0.00 176.54 174.19 2ff0 h PRO 97 N -0.15 0.55 -0.04 4.80 0.11 -1.78 -2.16 132.00 133.34 2ff0 h PRO 97 Ca 0.16 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 2ff0 h PRO 97 Cb 0.38 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2ff0 h PRO 97 CO -0.38 0.36 -0.60 0.00 -0.21 0.00 0.00 178.00 177.17 2ff0 h MET 98 N 0.57 0.13 0.26 1.05 -0.00 -1.72 -1.27 114.93 113.94 2ff0 h MET 98 Ca 0.42 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.70 60.03 2ff0 h MET 98 Cb 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2ff0 h MET 98 CO -0.35 0.68 -0.13 1.88 -0.00 0.00 0.00 176.91 178.99 2ff0 h TYR 99 N 0.09 -0.33 -0.14 -0.10 0.05 -0.76 -1.92 116.97 113.87 2ff0 h TYR 99 Ca -0.01 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 2ff0 h TYR 99 Cb 1.07 0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 2ff0 h TYR 99 CO 0.01 -0.06 -0.29 1.57 -1.05 0.00 0.00 178.16 178.34 2ff0 h LYS 100 N -0.57 0.26 0.24 4.88 2.10 -1.39 -1.49 116.57 120.60 2ff0 h LYS 100 Ca -0.04 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2ff0 h LYS 100 Cb 0.42 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2ff0 h LYS 100 CO 0.06 0.53 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.84 2ff0 h ARG 101 N 0.23 -0.31 -0.51 0.07 2.43 -1.18 -0.40 114.38 114.71 2ff0 h ARG 101 Ca 0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2ff0 h ARG 101 Cb 0.64 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2ff0 h ARG 101 CO 0.05 0.03 0.28 0.22 -1.51 0.00 0.00 179.97 179.04 2ff0 h ASP 102 N -0.71 0.62 -0.26 -3.80 3.58 -1.30 0.55 116.42 115.10 2ff0 h ASP 102 Ca -0.03 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2ff0 h ASP 102 Cb 0.48 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2ff0 h ASP 102 CO 0.05 0.50 0.05 -0.09 -2.88 0.00 0.00 179.24 176.88 2ff0 h ARG 103 N 0.70 0.43 -0.58 0.28 2.43 -1.21 0.28 114.38 116.71 2ff0 h ARG 103 Ca 0.18 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2ff0 h ARG 103 Cb 0.02 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2ff0 h ARG 103 CO -0.03 0.53 0.13 0.00 -1.51 0.00 0.00 179.97 179.09 2ff0 h ALA 104 N 0.87 1.14 -0.51 2.80 0.00 -0.35 0.14 119.26 123.35 2ff0 h ALA 104 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2ff0 h ALA 104 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ff0 h ALA 104 CO 0.00 0.58 -0.13 -0.07 0.00 0.00 0.00 179.25 179.63 2ff0 h LEU 105 N 0.86 0.99 -0.59 0.00 3.38 -0.68 -1.86 115.31 117.41 2ff0 h LEU 105 Ca 0.18 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2ff0 h LEU 105 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2ff0 h LEU 105 CO 0.00 1.13 0.15 0.50 0.09 0.00 0.00 178.44 180.30 2ff0 h LYS 106 N 0.85 0.95 -0.28 1.13 3.64 -0.02 -2.61 116.57 120.22 2ff0 h LYS 106 Ca 0.13 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ff0 h LYS 106 Cb 0.69 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2ff0 h LYS 106 CO 0.05 0.87 0.00 1.04 -2.27 0.00 0.00 179.45 179.14 2ff0 n GLN 107 N -4.36 1.42 0.11 1.90 6.02 0.43 -3.77 117.38 119.12 2ff0 n GLN 107 Ca 0.03 -0.56 0.03 0.00 -0.01 0.00 0.00 57.00 56.49 2ff0 n GLN 107 Cb 0.24 -1.20 0.41 0.00 1.02 0.00 0.00 30.24 30.70 2ff0 n GLN 107 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2ff0 h GLN 108 N 0.87 0.28 -6.73 -1.09 5.75 -0.93 -3.42 115.11 109.83 2ff0 h GLN 108 Ca 0.00 -0.05 -0.49 0.00 -0.15 0.00 0.00 58.65 57.96 2ff0 h GLN 108 Cb 0.30 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2ff0 h GLN 108 CO 0.02 0.35 0.17 0.15 -2.65 0.00 0.00 178.83 176.87 2ff0 s LYS 109 N -4.88 4.22 -0.13 1.69 -0.14 -1.25 -5.00 119.74 114.25 2ff0 s LYS 109 Ca -0.06 0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 55.16 2ff0 s LYS 109 Cb 0.16 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 2ff0 s LYS 109 CO 0.73 0.25 1.53 0.21 -0.76 0.00 0.00 175.35 177.31 2ff0 s LYS 110 N -2.46 4.10 0.00 1.68 2.47 -1.26 -5.09 119.74 119.18 2ff0 s LYS 110 Ca 0.50 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.81 2ff0 s LYS 110 Cb -0.14 -3.93 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 2ff0 s LYS 110 CO 0.19 -0.92 0.00 0.00 0.16 0.00 0.00 175.35 174.79