#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 0.59 -0.07 -0.67 2.02 -1.26 -5.06 118.70 114.25 2ff0 s GLU 11 Ca 0.00 -1.11 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 2ff0 s GLU 11 Cb 0.00 0.21 -0.05 0.00 0.10 0.00 0.00 34.13 34.39 2ff0 s GLU 11 CO 0.00 -0.12 0.28 -0.51 0.02 0.00 0.00 175.26 174.94 2ff0 s LEU 12 N -2.71 4.42 -0.04 1.80 1.02 -1.26 -0.39 118.68 121.51 2ff0 s LEU 12 Ca 0.04 0.70 -0.30 0.00 0.02 0.00 0.00 54.13 54.60 2ff0 s LEU 12 Cb 0.05 -2.34 -0.07 0.00 0.02 0.00 0.00 46.19 43.85 2ff0 s LEU 12 CO -0.09 0.34 1.89 0.00 0.02 0.00 0.00 176.35 178.51 2ff0 n PRO 14 N 7.60 0.05 -0.02 0.00 -0.04 -1.26 -0.18 135.00 141.15 2ff0 n PRO 14 Ca 0.20 0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 2ff0 n PRO 14 Cb 0.42 -1.64 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2ff0 n PRO 14 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ff0 h VAL 15 N 0.00 0.00 0.00 0.52 2.07 -1.88 -3.42 116.25 113.54 2ff0 h VAL 15 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2ff0 h VAL 15 Cb 0.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2ff0 h VAL 15 CO 0.00 0.00 -0.82 0.00 0.02 0.00 0.00 177.57 176.77 2ff0 n GLY 17 N 1.37 0.29 3.12 0.00 0.00 0.75 -3.78 105.19 106.94 2ff0 n GLY 17 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 2ff0 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ff0 s ASP 18 N -3.27 0.41 0.28 1.61 -1.08 -1.24 -4.71 116.67 108.67 2ff0 s ASP 18 Ca 0.15 -0.94 -0.30 0.00 -0.52 0.00 0.00 52.55 50.94 2ff0 s ASP 18 Cb -0.07 0.23 -0.12 0.00 -1.46 0.00 0.00 42.92 41.50 2ff0 s ASP 18 CO 0.29 -0.63 1.49 0.29 0.52 0.00 0.00 175.17 177.12 2ff0 n LYS 19 N 0.07 2.36 -2.83 4.34 4.76 -1.26 0.13 118.16 125.72 2ff0 n LYS 19 Ca -0.14 0.84 -0.35 0.00 -2.87 0.00 0.00 58.31 55.79 2ff0 n LYS 19 Cb 0.61 -2.55 -0.07 0.00 -1.84 0.00 0.00 35.03 31.19 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 -0.14 4.31 -0.75 -0.18 -7.23 0.48 -4.67 120.40 112.22 2ff0 s VAL 20 Ca 0.65 1.65 0.24 0.00 -1.81 0.00 0.00 61.98 62.70 2ff0 s VAL 20 Cb -0.57 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.50 2ff0 s VAL 20 CO 0.50 -0.03 1.23 -1.54 -0.31 0.00 0.00 175.10 174.96 2ff0 n SER 21 N 0.12 0.62 0.00 4.85 3.41 -1.04 -4.80 113.62 116.79 2ff0 n SER 21 Ca 0.03 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2ff0 n SER 21 Cb 0.52 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ff0 n GLY 22 N 1.40 -0.52 3.34 5.00 0.00 -1.07 -5.02 105.19 108.32 2ff0 n GLY 22 Ca 0.03 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.02 3.18 0.08 1.61 5.04 -1.26 -1.39 117.35 121.59 2ff0 s TYR 23 Ca 0.00 -1.05 0.04 0.00 -2.44 0.00 0.00 57.07 53.62 2ff0 s TYR 23 Cb 0.00 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 40.00 2ff0 s TYR 23 CO 0.00 -0.61 -0.11 -1.01 -1.34 0.00 0.00 175.55 172.48 2ff0 s HIS 24 N 1.49 1.06 0.00 4.97 3.76 -0.52 -4.94 115.29 121.11 2ff0 s HIS 24 Ca 0.02 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2ff0 s HIS 24 Cb -0.18 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 32.92 2ff0 s HIS 24 CO 0.03 0.01 0.00 0.66 -0.85 0.00 0.00 174.74 174.59 2ff0 n TYR 25 N 0.94 0.00 -2.00 1.40 4.02 -1.26 -1.52 117.16 118.74 2ff0 n TYR 25 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 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 0.91 3.80 2.72 0.00 -1.26 -4.89 105.19 106.46 2ff0 n GLY 26 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2ff0 n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ff0 s LEU 27 N 0.00 -0.11 -0.19 0.99 2.34 -0.58 -5.02 118.68 116.12 2ff0 s LEU 27 Ca 0.00 -0.54 -0.29 0.00 0.06 0.00 0.00 54.13 53.35 2ff0 s LEU 27 Cb 0.00 2.19 -0.02 0.00 -0.56 0.00 0.00 46.19 47.80 2ff0 s LEU 27 CO 0.00 -0.99 1.42 -0.76 -1.06 0.00 0.00 176.35 174.96 2ff0 s LEU 28 N -3.09 4.08 0.04 1.48 2.01 -1.26 -1.44 118.68 120.49 2ff0 s LEU 28 Ca 0.15 1.67 0.00 0.00 0.01 0.00 0.00 54.13 55.97 2ff0 s LEU 28 Cb -0.02 -3.54 -0.03 0.00 0.01 0.00 0.00 46.19 42.62 2ff0 s LEU 28 CO 0.04 -0.97 -0.04 0.42 1.01 0.00 0.00 176.35 176.80 2ff0 s THR 29 N 4.17 0.28 0.34 5.49 -4.23 -0.48 -4.46 115.64 116.75 2ff0 s THR 29 Ca 0.62 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2ff0 s THR 29 Cb -0.23 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 2ff0 s THR 29 CO 0.22 -0.63 0.50 0.00 -0.54 0.00 0.00 174.62 174.17 2ff0 h GLU 31 N 0.84 0.39 0.03 0.00 4.39 -1.95 -3.04 114.58 115.24 2ff0 h GLU 31 Ca -0.48 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.20 2ff0 h GLU 31 Cb 1.24 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 2ff0 h GLU 31 CO 0.57 0.34 -0.19 1.03 -1.16 0.00 0.00 179.01 179.61 2ff0 h SER 32 N 0.39 -0.54 0.03 1.42 0.87 -1.97 -1.26 113.55 112.49 2ff0 h SER 32 Ca 0.10 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2ff0 h SER 32 Cb 0.11 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2ff0 h SER 32 CO -0.01 -0.26 -0.02 0.00 -0.53 0.00 0.00 176.83 176.02 2ff0 h LYS 34 N -0.23 0.00 0.04 0.00 2.10 -1.58 0.43 116.57 117.33 2ff0 h LYS 34 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2ff0 h LYS 34 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2ff0 h LYS 34 CO 0.01 0.11 -0.02 0.78 -2.00 0.00 0.00 179.45 178.33 2ff0 h GLY 35 N 1.32 -0.06 1.09 0.07 0.00 -0.73 -1.89 103.07 102.86 2ff0 h GLY 35 Ca -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 2ff0 h GLY 35 CO 0.01 -0.02 -0.36 -2.75 0.00 0.00 0.00 176.54 173.42 2ff0 h PHE 36 N -0.37 1.05 0.00 5.60 3.57 -0.82 -1.89 116.94 124.08 2ff0 h PHE 36 Ca -0.01 -0.32 0.03 0.00 3.53 0.00 0.00 57.97 61.21 2ff0 h PHE 36 Cb 0.34 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2ff0 h PHE 36 CO 0.03 1.13 -0.30 0.35 -2.23 0.00 0.00 178.31 177.28 2ff0 h PHE 37 N 0.67 -0.83 -0.03 0.41 3.57 -0.20 0.10 116.94 120.63 2ff0 h PHE 37 Ca 0.05 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 2ff0 h PHE 37 Cb 0.96 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 2ff0 h PHE 37 CO 0.07 -0.40 -0.57 0.87 -2.23 0.00 0.00 178.31 176.05 2ff0 h LYS 38 N -0.46 0.10 -0.69 1.11 1.57 -1.37 0.23 116.57 117.07 2ff0 h LYS 38 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2ff0 h LYS 38 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2ff0 h LYS 38 CO -0.25 0.64 0.31 0.00 -0.57 0.00 0.00 179.45 179.58 2ff0 h ARG 39 N 0.08 1.01 -0.09 3.15 3.08 -0.91 0.35 114.38 121.06 2ff0 h ARG 39 Ca -0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2ff0 h ARG 39 Cb 1.03 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2ff0 h ARG 39 CO 0.08 0.81 0.01 1.15 -1.07 0.00 0.00 179.97 180.95 2ff0 h THR 40 N 0.97 1.22 0.12 2.04 2.02 -0.43 -2.80 112.91 116.05 2ff0 h THR 40 Ca 0.24 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2ff0 h THR 40 Cb 0.15 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2ff0 h THR 40 CO -0.03 0.20 -0.06 0.58 0.37 0.00 0.00 175.52 176.59 2ff0 h VAL 41 N -0.10 0.93 -0.93 3.16 2.07 -0.78 0.99 116.25 121.59 2ff0 h VAL 41 Ca 0.03 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2ff0 h VAL 41 Cb 0.30 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2ff0 h VAL 41 CO 0.00 0.04 0.61 1.56 0.02 0.00 0.00 177.57 179.81 2ff0 h GLN 42 N -0.24 1.18 -0.00 1.57 4.20 -0.36 -0.42 115.11 121.03 2ff0 h GLN 42 Ca -0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2ff0 h GLN 42 Cb 0.19 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2ff0 h GLN 42 CO 0.03 0.78 -0.07 0.09 -0.67 0.00 0.00 178.83 178.99 2ff0 n ASN 43 N -4.47 0.46 -2.58 1.46 3.02 -1.06 -4.88 115.26 107.22 2ff0 n ASN 43 Ca 0.11 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 53.75 2ff0 n ASN 43 Cb 0.05 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.87 -5.90 -4.61 6.41 5.03 -0.17 -4.87 115.26 110.28 2ff0 n ASN 44 Ca 0.17 -0.08 -0.43 0.00 0.87 0.00 0.00 54.58 55.10 2ff0 n ASN 44 Cb 0.25 -4.87 -0.02 0.00 -1.02 0.00 0.00 39.78 34.12 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 -5.23 3.54 -0.81 3.52 1.02 0.26 -4.94 119.74 117.11 2ff0 s LYS 45 Ca 0.08 1.39 -0.12 0.00 0.02 0.00 0.00 55.97 57.35 2ff0 s LYS 45 Cb -0.04 -4.10 0.21 0.00 -0.52 0.00 0.00 37.83 33.38 2ff0 s LYS 45 CO 0.10 -1.60 0.72 -1.01 -0.92 0.00 0.00 175.35 172.65 2ff0 s HIS 46 N 5.99 3.72 0.86 3.18 3.76 -1.26 -4.82 115.29 126.73 2ff0 s HIS 46 Ca 0.73 -2.18 -0.12 0.00 -0.15 0.00 0.00 55.06 53.34 2ff0 s HIS 46 Cb -0.21 -3.69 0.11 0.00 1.11 0.00 0.00 32.58 29.89 2ff0 s HIS 46 CO 0.32 -0.96 1.10 0.71 -0.85 0.00 0.00 174.74 175.06 2ff0 s TYR 47 N 0.02 2.53 0.01 1.40 2.02 -1.26 -5.08 117.35 116.99 2ff0 s TYR 47 Ca 0.19 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 58.04 2ff0 s TYR 47 Cb -0.12 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2ff0 s TYR 47 CO -0.08 -2.16 -0.02 0.99 -1.57 0.00 0.00 175.55 172.71 2ff0 s THR 48 N -3.06 0.08 -0.31 -0.71 2.01 -1.26 -4.87 115.64 107.52 2ff0 s THR 48 Ca 0.62 -0.58 0.13 0.00 0.31 0.00 0.00 61.69 62.18 2ff0 s THR 48 Cb -0.16 -0.17 0.34 0.00 0.01 0.00 0.00 72.50 72.51 2ff0 s THR 48 CO 0.55 -0.32 1.25 0.00 -0.69 0.00 0.00 174.62 175.42 2ff0 n THR 50 N -0.51 0.00 -4.40 0.00 -1.04 -1.26 -4.65 114.28 102.42 2ff0 n THR 50 Ca 0.14 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.95 2ff0 n THR 50 Cb 0.63 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.04 2ff0 n THR 50 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ff0 s GLU 51 N 0.00 1.61 -0.71 -2.82 2.02 -1.26 -4.92 118.70 112.62 2ff0 s GLU 51 Ca 0.00 -1.91 -0.07 0.00 0.02 0.00 0.00 54.97 53.01 2ff0 s GLU 51 Cb 0.00 -0.52 0.01 0.00 0.10 0.00 0.00 34.13 33.72 2ff0 s GLU 51 CO 0.00 -0.30 0.64 -1.13 0.02 0.00 0.00 175.26 174.48 2ff0 n SER 52 N -0.74 -6.03 0.29 -0.19 3.41 -1.26 -4.83 113.62 104.27 2ff0 n SER 52 Ca -0.02 -0.47 0.19 0.00 -0.26 0.00 0.00 58.87 58.31 2ff0 n SER 52 Cb 0.66 -2.99 0.87 0.00 -0.26 0.00 0.00 64.21 62.49 2ff0 n SER 52 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2ff0 h GLN 53 N 0.48 0.00 -3.19 4.33 4.20 -1.91 -3.20 115.11 115.81 2ff0 h GLN 53 Ca -0.40 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.64 2ff0 h GLN 53 Cb 1.26 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 28.66 2ff0 h GLN 53 CO 0.31 0.00 -0.25 -1.13 -0.67 0.00 0.00 178.83 177.09 2ff0 n SER 54 N -3.01 3.84 -4.90 1.46 3.41 -1.26 -4.07 113.62 109.09 2ff0 n SER 54 Ca -0.01 -3.18 -0.29 0.00 -0.26 0.00 0.00 58.87 55.14 2ff0 n SER 54 Cb 0.21 -0.95 0.06 0.00 -0.26 0.00 0.00 64.21 63.28 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 -5.41 3.63 -0.64 0.00 1.02 -1.26 -4.94 119.74 112.14 2ff0 s LYS 56 Ca 0.60 0.97 -0.27 0.00 0.02 0.00 0.00 55.97 57.28 2ff0 s LYS 56 Cb -0.11 -4.00 0.03 0.00 -0.52 0.00 0.00 37.83 33.23 2ff0 s LYS 56 CO 0.49 -1.50 1.20 0.42 -0.92 0.00 0.00 175.35 175.05 2ff0 s ILE 57 N 5.25 3.94 0.49 2.17 -1.09 -1.26 -4.74 121.20 125.96 2ff0 s ILE 57 Ca 0.60 0.66 0.06 0.00 -2.23 0.00 0.00 60.65 59.74 2ff0 s ILE 57 Cb -0.14 -4.79 0.01 0.00 -1.58 0.00 0.00 42.46 35.96 2ff0 s ILE 57 CO 0.31 -1.52 0.32 -1.81 -1.23 0.00 0.00 174.94 171.01 2ff0 s ASP 58 N 3.25 4.60 0.57 3.58 1.01 -1.26 -4.68 116.67 123.74 2ff0 s ASP 58 Ca 0.39 -1.17 0.26 0.00 0.71 0.00 0.00 52.55 52.74 2ff0 s ASP 58 Cb -0.08 0.09 1.67 0.00 1.01 0.00 0.00 42.92 45.60 2ff0 s ASP 58 CO 0.21 -0.90 2.20 0.11 0.21 0.00 0.00 175.17 177.00 2ff0 h LYS 59 N 0.99 0.00 0.00 8.23 1.57 -1.84 -1.10 116.57 124.42 2ff0 h LYS 59 Ca -0.39 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.18 2ff0 h LYS 59 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2ff0 h LYS 59 CO 0.61 0.00 -1.13 1.79 -0.57 0.00 0.00 179.45 180.15 2ff0 h THR 60 N 0.00 0.97 -0.00 -0.16 1.35 -1.94 -3.39 112.91 109.74 2ff0 h THR 60 Ca 0.02 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 2ff0 h THR 60 Cb 0.11 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2ff0 h THR 60 CO -0.00 0.33 -0.00 0.00 -0.25 0.00 0.00 175.52 175.60 2ff0 n GLN 61 N -4.45 1.03 0.11 4.72 6.02 -1.12 -3.20 117.38 120.49 2ff0 n GLN 61 Ca -0.30 -0.09 0.12 0.00 -0.01 0.00 0.00 57.00 56.73 2ff0 n GLN 61 Cb 0.65 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.88 2ff0 n GLN 61 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2ff0 n ARG 62 N -0.91 0.20 0.00 -1.09 1.85 -0.43 -0.91 116.66 115.37 2ff0 n ARG 62 Ca 0.23 0.34 0.11 0.00 -1.00 0.00 0.00 57.85 57.54 2ff0 n ARG 62 Cb 0.14 -1.83 0.08 0.00 -1.05 0.00 0.00 32.46 29.80 2ff0 n ARG 62 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ff0 n LYS 63 N -2.19 0.66 -0.10 2.89 5.02 -1.19 -4.61 118.16 118.64 2ff0 n LYS 63 Ca 0.03 -0.50 -0.16 0.00 -2.02 0.00 0.00 58.31 55.65 2ff0 n LYS 63 Cb 0.29 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.73 0.53 -3.51 1.97 1.74 -0.09 -4.81 116.66 111.77 2ff0 n ARG 64 Ca 0.08 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 2ff0 n ARG 64 Cb 0.39 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 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 8.54 0.02 -0.61 0.00 0.11 -1.87 -2.26 132.00 135.93 2ff0 h PRO 66 Ca -0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 2ff0 h PRO 66 Cb 1.08 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2ff0 h PRO 66 CO 0.89 0.42 0.30 0.35 -0.21 0.00 0.00 178.00 179.75 2ff0 h PHE 67 N -0.38 0.88 -0.39 0.65 3.57 -1.90 -0.43 116.94 118.95 2ff0 h PHE 67 Ca 0.00 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2ff0 h PHE 67 Cb 0.41 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2ff0 h PHE 67 CO 0.07 0.67 -0.03 0.00 -2.23 0.00 0.00 178.31 176.78 2ff0 h ARG 69 N 0.60 0.35 -0.02 0.00 2.43 -0.95 0.13 114.38 116.91 2ff0 h ARG 69 Ca 0.12 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2ff0 h ARG 69 Cb 0.42 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2ff0 h ARG 69 CO 0.02 0.87 0.01 0.35 -1.51 0.00 0.00 179.97 179.71 2ff0 h PHE 70 N 0.25 0.04 0.00 2.20 3.57 -0.43 -0.38 116.94 122.19 2ff0 h PHE 70 Ca -0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2ff0 h PHE 70 Cb 1.18 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2ff0 h PHE 70 CO 0.03 0.23 -0.35 -0.56 -2.23 0.00 0.00 178.31 175.43 2ff0 h GLN 71 N -0.16 0.00 -0.41 1.11 -0.00 -0.90 -1.90 115.11 112.84 2ff0 h GLN 71 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2ff0 h GLN 71 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.67 2ff0 h GLN 71 CO -0.00 0.35 0.26 -0.22 -0.00 0.00 0.00 178.83 179.22 2ff0 h LYS 72 N 0.00 0.55 -0.84 0.06 1.63 -0.44 0.35 116.57 117.88 2ff0 h LYS 72 Ca -0.00 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2ff0 h LYS 72 Cb 0.65 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 2ff0 h LYS 72 CO 0.05 0.38 0.55 0.00 -3.45 0.00 0.00 179.45 176.98 2ff0 h LEU 74 N 1.11 0.90 -0.52 0.00 3.38 -1.01 0.18 115.31 119.35 2ff0 h LEU 74 Ca 0.32 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2ff0 h LEU 74 Cb -0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 2ff0 h LEU 74 CO -0.08 1.10 0.19 0.74 0.09 0.00 0.00 178.44 180.48 2ff0 h THR 75 N 0.75 0.84 0.00 0.22 2.02 0.36 -0.91 112.91 116.18 2ff0 h THR 75 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2ff0 h THR 75 Cb 0.80 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2ff0 h THR 75 CO 0.07 0.07 0.00 -0.37 0.37 0.00 0.00 175.52 175.66 2ff0 h VAL 76 N 0.38 0.00 0.00 3.16 -1.51 -1.24 -3.47 116.25 113.57 2ff0 h VAL 76 Ca 0.25 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2ff0 h VAL 76 Cb 0.26 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 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 0.95 1.99 3.58 5.19 0.00 -0.35 -4.92 105.19 111.64 2ff0 n GLY 77 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.71 3.26 0.07 1.61 -1.94 0.57 -4.45 119.30 117.70 2ff0 s MET 78 Ca 0.00 0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 54.42 2ff0 s MET 78 Cb 0.00 -4.16 -0.08 0.00 2.01 0.00 0.00 34.83 32.60 2ff0 s MET 78 CO 0.00 -1.97 1.56 1.03 -0.01 0.00 0.00 175.02 175.63 2ff0 s ARG 79 N 5.66 4.23 0.53 2.03 1.81 -1.26 -4.53 118.95 127.41 2ff0 s ARG 79 Ca 0.61 2.23 0.30 0.00 -1.72 0.00 0.00 55.73 57.15 2ff0 s ARG 79 Cb -0.14 -3.51 1.42 0.00 -0.45 0.00 0.00 34.95 32.27 2ff0 s ARG 79 CO 0.27 -0.66 2.03 -0.07 -0.68 0.00 0.00 175.30 176.19 2ff0 h LEU 80 N 8.16 0.00 -1.98 2.53 3.38 -1.95 -1.82 115.31 123.63 2ff0 h LEU 80 Ca -0.41 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2ff0 h LEU 80 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ff0 h LEU 80 CO 0.92 0.10 -0.09 -0.33 0.09 0.00 0.00 178.44 179.13 2ff0 h GLU 81 N 0.00 0.00 0.10 1.13 5.08 -2.01 -2.98 114.58 115.91 2ff0 h GLU 81 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2ff0 h GLU 81 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2ff0 h GLU 81 CO 0.01 0.09 -1.19 0.00 -1.00 0.00 0.00 179.01 176.92 2ff0 h ALA 82 N 1.91 0.14 -1.29 3.43 0.00 -1.71 -3.41 119.26 118.34 2ff0 h ALA 82 Ca -0.00 -0.89 -0.55 0.00 0.00 0.00 0.00 54.91 53.48 2ff0 h ALA 82 Cb 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2ff0 h ALA 82 CO 0.01 1.02 1.18 0.54 0.00 0.00 0.00 179.25 182.00 2ff0 s VAL 83 N -2.68 3.74 -0.53 0.00 0.11 -1.13 -4.94 120.40 114.98 2ff0 s VAL 83 Ca -0.03 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 2ff0 s VAL 83 Cb 0.08 -4.86 0.06 0.00 -1.53 0.00 0.00 36.38 30.13 2ff0 s VAL 83 CO 0.87 -1.79 0.70 -0.13 -3.33 0.00 0.00 175.10 171.43 2ff0 s ARG 84 N 5.68 3.15 0.00 1.54 0.52 -1.26 -4.89 118.95 123.68 2ff0 s ARG 84 Ca 0.41 -0.83 0.17 0.00 -0.52 0.00 0.00 55.73 54.95 2ff0 s ARG 84 Cb -0.06 -4.12 0.98 0.00 0.52 0.00 0.00 34.95 32.27 2ff0 s ARG 84 CO 0.09 -1.33 1.43 0.00 0.02 0.00 0.00 175.30 175.51 2ff0 n ALA 85 N 6.47 2.09 1.63 2.13 0.00 -1.26 -2.17 120.51 129.40 2ff0 n ALA 85 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2ff0 n ALA 85 Cb 0.45 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.69 2ff0 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ff0 n ASP 86 N -1.05 0.62 -0.54 0.00 2.03 -1.26 -4.84 116.55 111.50 2ff0 n ASP 86 Ca 0.12 -1.99 -0.07 0.00 0.52 0.00 0.00 54.79 53.37 2ff0 n ASP 86 Cb 0.07 -0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2ff0 n ARG 87 N -0.17 -0.67 -2.72 -0.67 3.00 -0.92 -4.96 116.66 109.55 2ff0 n ARG 87 Ca 0.04 0.69 -0.42 0.00 -0.00 0.00 0.00 57.85 58.15 2ff0 n ARG 87 Cb 0.10 -4.51 -0.03 0.00 0.00 0.00 0.00 32.46 28.01 2ff0 n ARG 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2ff0 s MET 88 N -2.35 3.34 -1.25 -0.14 -1.94 -1.23 -4.92 119.30 110.81 2ff0 s MET 88 Ca 0.00 -0.16 -0.07 0.00 -1.71 0.00 0.00 55.69 53.75 2ff0 s MET 88 Cb 0.00 -4.08 0.01 0.00 2.01 0.00 0.00 34.83 32.77 2ff0 s MET 88 CO 0.00 -1.67 2.73 0.54 -0.01 0.00 0.00 175.02 176.61 2ff0 n ARG 89 N 8.05 3.88 -2.62 2.03 1.74 -1.26 -4.58 116.66 123.90 2ff0 n ARG 89 Ca 0.03 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.40 2ff0 n ARG 89 Cb 0.48 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 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 2.37 -1.23 0.00 -0.13 0.00 -1.26 -5.11 105.19 99.84 2ff0 n GLY 90 Ca 0.66 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.88 -0.03 3.53 -0.02 0.00 -1.26 -5.03 105.19 101.50 2ff0 n GLY 91 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 3.81 0.00 1.61 0.52 -1.26 -4.51 118.95 119.12 2ff0 s ARG 92 Ca 0.00 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 2ff0 s ARG 92 Cb 0.00 -5.30 0.00 0.00 0.52 0.00 0.00 34.95 30.17 2ff0 s ARG 92 CO 0.00 -2.08 0.00 0.09 0.02 0.00 0.00 175.30 173.33 2ff0 n ASN 93 N 7.79 0.00 0.14 0.23 4.13 -1.26 -4.66 115.26 121.63 2ff0 n ASN 93 Ca 0.37 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.65 2ff0 n ASN 93 Cb 0.48 0.00 0.37 0.00 -1.54 0.00 0.00 39.78 39.08 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2ff0 h LYS 94 N 0.00 0.16 -0.00 3.52 3.64 -2.03 -0.85 116.57 121.00 2ff0 h LYS 94 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2ff0 h LYS 94 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2ff0 h LYS 94 CO 0.00 0.40 -0.18 1.19 -2.27 0.00 0.00 179.45 178.59 2ff0 n PHE 95 N -4.20 0.00 0.00 1.91 3.72 -1.26 -4.49 117.46 113.14 2ff0 n PHE 95 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 2ff0 n PHE 95 Cb 0.33 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 4.97 -1.45 0.31 1.37 0.00 -1.41 0.18 103.07 107.04 2ff0 h GLY 96 Ca 0.00 0.66 0.05 0.00 0.00 0.00 0.00 47.33 48.04 2ff0 h GLY 96 CO 0.00 -0.51 -0.23 -2.55 0.00 0.00 0.00 176.54 173.25 2ff0 h PRO 97 N -0.11 -0.28 -0.65 4.80 0.11 -1.79 -1.04 132.00 133.04 2ff0 h PRO 97 Ca 0.00 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 2ff0 h PRO 97 Cb 0.13 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 2ff0 h PRO 97 CO -0.08 -0.19 0.27 0.00 -0.21 0.00 0.00 178.00 177.80 2ff0 h MET 98 N -0.29 0.95 -0.03 1.05 -0.00 -1.80 0.13 114.93 114.94 2ff0 h MET 98 Ca 0.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2ff0 h MET 98 Cb 0.44 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2ff0 h MET 98 CO -0.30 0.76 -0.03 -0.92 -0.00 0.00 0.00 176.91 176.42 2ff0 h TYR 99 N 0.93 0.09 -0.73 -0.10 3.20 -0.33 0.11 116.97 120.14 2ff0 h TYR 99 Ca 0.22 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2ff0 h TYR 99 Cb 0.16 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2ff0 h TYR 99 CO 0.01 0.57 0.48 0.87 -1.64 0.00 0.00 178.16 178.45 2ff0 h LYS 100 N -0.42 0.93 -0.08 1.82 1.57 -1.07 -2.08 116.57 117.24 2ff0 h LYS 100 Ca 0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2ff0 h LYS 100 Cb 0.55 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2ff0 h LYS 100 CO 0.01 0.62 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.41 2ff0 h ARG 101 N 0.96 0.14 -0.21 3.15 2.43 -0.64 -1.64 114.38 118.56 2ff0 h ARG 101 Ca 0.28 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2ff0 h ARG 101 Cb -0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2ff0 h ARG 101 CO -0.07 0.41 0.12 0.22 -1.51 0.00 0.00 179.97 179.13 2ff0 h ASP 102 N -0.15 0.26 -0.88 -3.80 3.58 -0.68 0.31 116.42 115.06 2ff0 h ASP 102 Ca 0.02 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 2ff0 h ASP 102 Cb 0.34 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2ff0 h ASP 102 CO 0.00 0.24 0.53 -0.09 -2.88 0.00 0.00 179.24 177.05 2ff0 h ARG 103 N 0.25 1.19 -0.35 0.28 2.43 -1.39 -0.82 114.38 115.97 2ff0 h ARG 103 Ca 0.08 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2ff0 h ARG 103 Cb 0.04 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2ff0 h ARG 103 CO -0.01 0.83 -0.28 0.00 -1.51 0.00 0.00 179.97 179.00 2ff0 h ALA 104 N 1.29 0.87 0.00 2.80 0.00 -0.81 -2.58 119.26 120.83 2ff0 h ALA 104 Ca 0.31 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ff0 h ALA 104 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ff0 h ALA 104 CO -0.06 0.63 -0.16 -0.07 0.00 0.00 0.00 179.25 179.59 2ff0 h LEU 105 N 0.62 0.00 0.00 0.00 3.38 0.24 0.41 115.31 119.96 2ff0 h LEU 105 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ff0 h LEU 105 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2ff0 h LEU 105 CO 0.06 0.16 -0.21 0.11 0.09 0.00 0.00 178.44 178.65 2ff0 h LYS 106 N 0.00 0.00 0.11 1.13 1.57 -0.88 -3.28 116.57 115.23 2ff0 h LYS 106 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 2ff0 h LYS 106 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2ff0 h LYS 106 CO 0.02 0.00 -1.86 1.96 -0.57 0.00 0.00 179.45 179.00 2ff0 h GLN 107 N 0.00 0.24 0.00 3.15 4.20 -0.89 -3.47 115.11 118.33 2ff0 h GLN 107 Ca 0.00 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2ff0 h GLN 107 Cb 0.79 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2ff0 h GLN 107 CO 0.00 1.19 0.00 0.94 -0.67 0.00 0.00 178.83 180.29 2ff0 n GLN 108 N -3.64 1.54 -4.22 1.46 7.27 0.13 -5.11 117.38 114.82 2ff0 n GLN 108 Ca -0.31 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.60 2ff0 n GLN 108 Cb 0.99 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.54 2ff0 n GLN 108 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2ff0 s LYS 109 N 0.39 0.96 -0.34 3.69 1.02 -1.25 -4.80 119.74 119.42 2ff0 s LYS 109 Ca 0.00 -1.27 -0.19 0.00 0.02 0.00 0.00 55.97 54.53 2ff0 s LYS 109 Cb 0.00 -0.67 -0.00 0.00 -0.52 0.00 0.00 37.83 36.64 2ff0 s LYS 109 CO 0.00 0.11 0.57 0.15 -0.92 0.00 0.00 175.35 175.26 2ff0 s LYS 110 N -3.04 3.70 0.00 1.68 1.02 -1.26 -5.03 119.74 116.81 2ff0 s LYS 110 Ca 0.10 -0.00 0.15 0.00 0.02 0.00 0.00 55.97 56.23 2ff0 s LYS 110 Cb -0.02 -3.79 0.12 0.00 -0.52 0.00 0.00 37.83 33.62 2ff0 s LYS 110 CO 0.01 -0.65 0.96 0.00 -0.92 0.00 0.00 175.35 174.76