#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffp n ILE 1 N 0.00 0.00 -4.10 3.17 5.41 -1.26 -5.15 119.36 117.43 1ffp n ILE 1 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1ffp n ILE 1 Cb 0.00 0.61 -0.01 0.00 -0.71 0.00 0.00 39.64 39.52 1ffp n ILE 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ffp n GLN 2 N 0.00 0.89 -3.55 0.38 0.00 -1.24 -1.82 117.38 112.05 1ffp n GLN 2 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 57.00 56.33 1ffp n GLN 2 Cb 0.47 0.36 -0.06 0.00 0.00 0.00 0.00 30.24 31.01 1ffp n GLN 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ffp s LYS 3 N -2.30 0.24 -0.27 2.61 2.20 0.02 -4.85 119.74 117.39 1ffp s LYS 3 Ca 0.04 0.47 -0.38 0.00 -0.36 0.00 0.00 55.97 55.74 1ffp s LYS 3 Cb 0.00 0.13 -0.14 0.00 -1.51 0.00 0.00 37.83 36.32 1ffp s LYS 3 CO 0.03 -0.06 1.92 2.41 -0.36 0.00 0.00 175.35 179.28 1ffp n THR 4 N 3.89 0.32 -1.93 3.43 -1.04 -1.26 -3.57 114.28 114.12 1ffp n THR 4 Ca -0.15 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.35 1ffp n THR 4 Cb 0.56 -1.46 0.02 0.00 -1.82 0.00 0.00 70.33 67.63 1ffp n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ffp s PRO 5 N 4.52 3.43 -0.14 -2.82 0.04 -1.26 -4.61 135.00 134.16 1ffp s PRO 5 Ca 1.01 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 64.16 1ffp s PRO 5 Cb -0.95 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1ffp s PRO 5 CO 0.58 -0.93 -0.07 -0.65 0.04 0.00 0.00 177.00 175.97 1ffp s GLN 6 N -2.75 3.56 -0.03 4.56 -1.52 0.29 -4.91 119.66 118.87 1ffp s GLN 6 Ca 0.67 -0.58 0.06 0.00 -1.95 0.00 0.00 55.36 53.56 1ffp s GLN 6 Cb -0.38 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 1ffp s GLN 6 CO 0.45 0.24 -0.21 0.42 -0.25 0.00 0.00 175.29 175.94 1ffp s ILE 7 N 0.34 2.49 -0.20 1.08 1.01 -1.26 -0.49 121.20 124.17 1ffp s ILE 7 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 1ffp s ILE 7 Cb -0.15 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.47 1ffp s ILE 7 CO 0.04 0.56 0.11 -1.10 0.00 0.00 0.00 174.94 174.55 1ffp s GLN 8 N -0.73 0.10 -0.07 2.79 -0.21 -0.90 -4.99 119.66 115.66 1ffp s GLN 8 Ca 0.11 -0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.19 1ffp s GLN 8 Cb -0.10 -1.62 -0.05 0.00 1.00 0.00 0.00 33.01 32.24 1ffp s GLN 8 CO 0.00 -0.76 0.32 0.08 -2.12 0.00 0.00 175.29 172.81 1ffp s VAL 9 N 2.14 5.21 -0.17 1.09 1.01 -1.26 -1.59 120.40 126.83 1ffp s VAL 9 Ca 0.04 0.63 -0.32 0.00 0.00 0.00 0.00 61.98 62.33 1ffp s VAL 9 Cb -0.16 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1ffp s VAL 9 CO -0.16 0.54 1.14 -0.72 0.00 0.00 0.00 175.10 175.90 1ffp s TYR 10 N -0.66 -0.20 0.22 5.22 1.13 -0.53 -4.69 117.35 117.85 1ffp s TYR 10 Ca 0.20 0.22 -0.11 0.00 -1.41 0.00 0.00 57.07 55.97 1ffp s TYR 10 Cb -0.15 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.14 1ffp s TYR 10 CO 0.09 -0.25 0.58 -1.54 -2.51 0.00 0.00 175.55 171.91 1ffp s SER 11 N -1.76 6.69 0.03 -0.18 1.04 -1.26 0.81 113.70 119.08 1ffp s SER 11 Ca 0.06 1.01 -0.25 0.00 0.48 0.00 0.00 55.95 57.25 1ffp s SER 11 Cb -0.01 -2.26 -0.17 0.00 0.10 0.00 0.00 66.02 63.68 1ffp s SER 11 CO -0.04 -0.05 1.42 -0.09 0.98 0.00 0.00 173.24 175.46 1ffp h ARG 12 N 2.74 -0.24 -5.91 4.02 2.43 -1.25 -3.44 114.38 112.73 1ffp h ARG 12 Ca -0.47 0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.09 1ffp h ARG 12 Cb 1.18 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 1ffp h ARG 12 CO 0.68 0.03 -0.44 -1.01 -1.51 0.00 0.00 179.97 177.72 1ffp s HIS 13 N -5.13 3.54 0.06 2.20 3.76 -1.26 -5.02 115.29 113.43 1ffp s HIS 13 Ca -0.15 0.41 -0.37 0.00 -0.15 0.00 0.00 55.06 54.81 1ffp s HIS 13 Cb 0.03 -1.88 -0.17 0.00 1.11 0.00 0.00 32.58 31.68 1ffp s HIS 13 CO 0.62 0.59 1.37 -0.35 -0.85 0.00 0.00 174.74 176.12 1ffp n PRO 14 N 0.68 1.16 -1.68 8.40 -0.04 -1.26 -4.78 135.00 137.48 1ffp n PRO 14 Ca -0.08 0.42 -0.51 0.00 -0.04 0.00 0.00 63.50 63.29 1ffp n PRO 14 Cb 0.52 -2.07 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1ffp n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ffp n PRO 15 N 2.73 1.73 -3.83 0.54 -0.04 -1.26 -4.99 135.00 129.89 1ffp n PRO 15 Ca 0.19 0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 63.98 1ffp n PRO 15 Cb 0.19 -2.39 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 1ffp n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ffp s GLU 16 N 3.09 1.03 -0.21 0.54 2.02 -1.26 -5.08 118.70 118.83 1ffp s GLU 16 Ca 0.92 -1.10 -0.39 0.00 0.02 0.00 0.00 54.97 54.42 1ffp s GLU 16 Cb -0.84 -2.34 -0.18 0.00 0.10 0.00 0.00 34.13 30.87 1ffp s GLU 16 CO 0.54 -0.85 1.19 0.09 0.02 0.00 0.00 175.26 176.26 1ffp n ASN 17 N 4.74 0.50 0.00 -0.19 5.03 -1.26 0.22 115.26 124.29 1ffp n ASN 17 Ca -0.04 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.47 1ffp n ASN 17 Cb 0.43 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1ffp n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ffp n GLY 18 N 2.40 1.74 3.75 7.41 0.00 -1.03 -4.97 105.19 114.50 1ffp n GLY 18 Ca 0.23 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ffp n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffp s LYS 19 N 0.00 4.18 1.10 1.61 1.02 0.13 -4.89 119.74 122.89 1ffp s LYS 19 Ca 0.00 2.47 -0.18 0.00 0.02 0.00 0.00 55.97 58.28 1ffp s LYS 19 Cb 0.00 -3.05 0.11 0.00 -0.52 0.00 0.00 37.83 34.37 1ffp s LYS 19 CO 0.00 -0.54 0.01 -2.30 -0.92 0.00 0.00 175.35 171.60 1ffp n PRO 20 N 2.05 -1.82 0.00 -1.68 -0.02 -1.26 -4.43 135.00 127.85 1ffp n PRO 20 Ca 0.07 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1ffp n PRO 20 Cb 0.39 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1ffp n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ffp n ASN 21 N -1.35 0.00 -4.49 2.55 2.85 -1.04 -4.80 115.26 108.97 1ffp n ASN 21 Ca 0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 1ffp n ASN 21 Cb 0.56 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.46 1ffp n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ffp s ILE 22 N -2.00 4.18 -0.09 -1.44 1.01 -1.26 0.35 121.20 121.95 1ffp s ILE 22 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 1ffp s ILE 22 Cb 0.00 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1ffp s ILE 22 CO 0.00 0.43 0.49 -0.22 0.00 0.00 0.00 174.94 175.63 1ffp s LEU 23 N 0.89 4.31 0.06 2.97 2.96 0.11 -0.63 118.68 129.36 1ffp s LEU 23 Ca 0.02 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 54.87 1ffp s LEU 23 Cb -0.14 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1ffp s LEU 23 CO 0.02 0.04 -0.15 0.20 -1.32 0.00 0.00 176.35 175.14 1ffp s ASN 24 N 0.39 4.08 -0.28 3.68 0.01 0.24 -1.63 114.94 121.43 1ffp s ASN 24 Ca 0.27 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1ffp s ASN 24 Cb -0.16 -0.72 0.09 0.00 0.41 0.00 0.00 41.25 40.87 1ffp s ASN 24 CO 0.11 0.23 0.08 0.00 -1.51 0.00 0.00 177.10 176.01 1ffp s TYR 26 N 1.69 3.08 -0.14 0.00 5.04 -0.62 -0.59 117.35 125.81 1ffp s TYR 26 Ca 0.06 -0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 54.42 1ffp s TYR 26 Cb -0.17 -3.30 -0.04 0.00 0.35 0.00 0.00 41.96 38.80 1ffp s TYR 26 CO -0.21 -0.88 0.06 0.08 -1.34 0.00 0.00 175.55 173.27 1ffp s VAL 27 N 2.66 4.83 0.21 3.14 1.01 -0.35 -2.11 120.40 129.80 1ffp s VAL 27 Ca 0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1ffp s VAL 27 Cb -0.16 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1ffp s VAL 27 CO 0.16 0.54 0.39 0.28 0.00 0.00 0.00 175.10 176.47 1ffp s THR 28 N -0.31 0.02 -0.42 3.92 -1.32 0.36 -0.91 115.64 116.98 1ffp s THR 28 Ca 0.09 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1ffp s THR 28 Cb -0.12 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 1ffp s THR 28 CO 0.02 -0.11 0.00 1.67 -2.21 0.00 0.00 174.62 173.99 1ffp n GLN 29 N -0.31 -0.69 -3.79 7.08 -0.06 -1.07 0.11 117.38 118.64 1ffp n GLN 29 Ca -0.04 0.48 -0.20 0.00 -2.00 0.00 0.00 57.00 55.24 1ffp n GLN 29 Cb 0.63 -4.20 -0.02 0.00 -4.06 0.00 0.00 30.24 22.59 1ffp n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1ffp s PHE 30 N -1.94 3.20 -0.30 3.69 -0.12 -1.11 -4.31 117.98 117.09 1ffp s PHE 30 Ca 0.00 -0.15 -0.23 0.00 -0.05 0.00 0.00 56.93 56.50 1ffp s PHE 30 Cb 0.00 -1.73 0.18 0.00 -0.63 0.00 0.00 43.02 40.84 1ffp s PHE 30 CO 0.00 0.25 1.35 -1.58 -0.05 0.00 0.00 175.22 175.19 1ffp s HIS 31 N -2.12 -0.13 1.08 3.49 2.46 -1.23 0.64 115.29 119.48 1ffp s HIS 31 Ca 0.39 0.30 -0.12 0.00 0.47 0.00 0.00 55.06 56.10 1ffp s HIS 31 Cb -0.09 0.39 0.24 0.00 -0.13 0.00 0.00 32.58 32.99 1ffp s HIS 31 CO 0.29 -0.06 1.07 -2.14 -2.47 0.00 0.00 174.74 171.42 1ffp s PRO 32 N 0.27 -0.29 -0.12 2.88 0.02 -0.75 -0.80 135.00 136.21 1ffp s PRO 32 Ca 0.04 1.11 -0.01 0.00 0.02 0.00 0.00 61.00 62.16 1ffp s PRO 32 Cb -0.04 -1.61 0.05 0.00 0.02 0.00 0.00 34.50 32.92 1ffp s PRO 32 CO -0.14 -3.38 2.14 -0.35 -0.33 0.00 0.00 177.00 174.94 1ffp n PRO 33 N -4.71 1.37 -4.06 5.54 -0.04 -1.26 -4.71 135.00 127.12 1ffp n PRO 33 Ca 0.06 -0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 62.54 1ffp n PRO 33 Cb 0.53 -1.30 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 1ffp n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ffp s HIS 34 N -0.57 2.86 -0.05 0.54 3.76 -1.26 -5.09 115.29 115.48 1ffp s HIS 34 Ca 0.16 -1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 53.63 1ffp s HIS 34 Cb 0.11 -2.00 0.04 0.00 1.11 0.00 0.00 32.58 31.84 1ffp s HIS 34 CO -0.01 -0.65 0.41 -1.50 -0.85 0.00 0.00 174.74 172.14 1ffp s ILE 35 N 1.32 0.03 -0.19 0.60 2.07 -1.26 -4.60 121.20 119.18 1ffp s ILE 35 Ca 0.04 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1ffp s ILE 35 Cb -0.14 -0.70 0.02 0.00 0.13 0.00 0.00 42.46 41.77 1ffp s ILE 35 CO -0.07 -0.16 -0.18 -0.70 -1.91 0.00 0.00 174.94 171.92 1ffp s GLU 36 N -1.01 3.01 -0.07 3.50 2.12 -0.94 -5.01 118.70 120.30 1ffp s GLU 36 Ca -0.10 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.45 1ffp s GLU 36 Cb -0.04 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.73 1ffp s GLU 36 CO 0.05 -0.22 -0.22 0.42 -0.54 0.00 0.00 175.26 174.75 1ffp s ILE 37 N 1.30 1.82 0.07 -3.70 1.01 -1.26 -1.29 121.20 119.16 1ffp s ILE 37 Ca 0.05 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1ffp s ILE 37 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1ffp s ILE 37 CO -0.12 0.51 -0.14 -1.10 0.00 0.00 0.00 174.94 174.10 1ffp s GLN 38 N 0.18 0.81 -0.23 2.79 -0.21 0.41 -4.98 119.66 118.42 1ffp s GLN 38 Ca -0.11 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.31 1ffp s GLN 38 Cb -0.15 -0.79 0.03 0.00 1.00 0.00 0.00 33.01 33.10 1ffp s GLN 38 CO 0.06 0.17 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.65 1ffp s MET 39 N -1.78 2.86 0.11 2.91 -1.94 -1.26 0.19 119.30 120.38 1ffp s MET 39 Ca -0.02 -0.95 -0.07 0.00 -1.71 0.00 0.00 55.69 52.94 1ffp s MET 39 Cb -0.10 -2.87 -0.06 0.00 2.01 0.00 0.00 34.83 33.82 1ffp s MET 39 CO 0.02 -0.35 0.38 -0.51 -0.01 0.00 0.00 175.02 174.55 1ffp s LEU 40 N 1.30 4.31 -0.42 -0.03 1.43 -0.30 0.11 118.68 125.09 1ffp s LEU 40 Ca 0.01 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1ffp s LEU 40 Cb -0.16 -3.12 0.12 0.00 0.03 0.00 0.00 46.19 43.06 1ffp s LEU 40 CO -0.07 0.12 0.19 -0.75 0.23 0.00 0.00 176.35 176.07 1ffp s LYS 41 N -2.26 1.32 -0.55 1.70 2.20 0.11 -1.08 119.74 121.17 1ffp s LYS 41 Ca 0.37 -1.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.05 1ffp s LYS 41 Cb -0.13 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 1ffp s LYS 41 CO 0.21 -1.09 0.46 0.09 -0.36 0.00 0.00 175.35 174.66 1ffp n ASN 42 N 3.81 -2.58 0.00 1.43 3.02 0.14 -2.74 115.26 118.33 1ffp n ASN 42 Ca 0.05 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 1ffp n ASN 42 Cb 0.36 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 1ffp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffp n GLY 43 N -1.14 1.04 3.58 7.41 0.00 -1.26 -4.91 105.19 109.91 1ffp n GLY 43 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1ffp n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffp s LYS 44 N 0.00 3.77 0.20 1.61 2.20 -1.11 -4.96 119.74 121.46 1ffp s LYS 44 Ca 0.00 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 1ffp s LYS 44 Cb 0.00 -3.79 -0.16 0.00 -1.51 0.00 0.00 37.83 32.38 1ffp s LYS 44 CO 0.00 -0.73 0.93 1.17 -0.36 0.00 0.00 175.35 176.36 1ffp n LYS 45 N 6.14 0.81 -3.54 4.03 4.81 -1.26 -0.72 118.16 128.43 1ffp n LYS 45 Ca 0.01 0.29 -0.37 0.00 -0.87 0.00 0.00 58.31 57.36 1ffp n LYS 45 Cb 0.48 -1.61 -0.08 0.00 0.02 0.00 0.00 35.03 33.85 1ffp n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ffp s ILE 46 N -0.68 5.29 0.00 3.15 1.01 0.12 -4.78 121.20 125.31 1ffp s ILE 46 Ca 0.67 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1ffp s ILE 46 Cb -0.86 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1ffp s ILE 46 CO 0.56 0.32 0.00 -0.81 0.00 0.00 0.00 174.94 175.01 1ffp n PRO 47 N 4.25 -0.11 -2.70 2.79 -0.04 -1.26 -4.37 135.00 133.55 1ffp n PRO 47 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ffp n PRO 47 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1ffp n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ffp n LYS 48 N -0.81 -0.18 -3.58 0.54 5.02 -1.26 -4.87 118.16 113.03 1ffp n LYS 48 Ca 0.00 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1ffp n LYS 48 Cb 0.00 0.10 -0.10 0.00 -0.02 0.00 0.00 35.03 35.01 1ffp n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ffp s VAL 49 N -2.45 4.46 0.26 -0.18 1.01 -1.26 -4.80 120.40 117.44 1ffp s VAL 49 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1ffp s VAL 49 Cb -0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 1ffp s VAL 49 CO 0.02 -0.43 1.46 -1.61 0.00 0.00 0.00 175.10 174.54 1ffp s GLU 50 N 1.49 4.24 -0.13 2.72 2.02 0.13 -4.76 118.70 124.41 1ffp s GLU 50 Ca 0.03 2.35 -0.03 0.00 0.02 0.00 0.00 54.97 57.34 1ffp s GLU 50 Cb -0.22 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1ffp s GLU 50 CO 0.04 -0.45 -0.03 -1.64 0.02 0.00 0.00 175.26 173.20 1ffp s MET 51 N -0.53 3.44 0.68 1.61 -1.94 -1.26 0.99 119.30 122.29 1ffp s MET 51 Ca 0.59 -0.50 -0.10 0.00 -1.71 0.00 0.00 55.69 53.97 1ffp s MET 51 Cb -0.43 -2.86 0.15 0.00 2.01 0.00 0.00 34.83 33.70 1ffp s MET 51 CO 0.45 0.38 0.92 -1.13 -0.01 0.00 0.00 175.02 175.64 1ffp n SER 52 N 3.11 0.22 -4.81 3.03 3.41 0.11 -4.99 113.62 113.70 1ffp n SER 52 Ca -0.18 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.65 1ffp n SER 52 Cb 0.53 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1ffp n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ffp s ASP 53 N -4.42 7.12 0.54 4.04 1.01 -1.26 -4.71 116.67 118.99 1ffp s ASP 53 Ca 0.53 1.52 -0.12 0.00 0.71 0.00 0.00 52.55 55.19 1ffp s ASP 53 Cb -0.02 -2.46 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 1ffp s ASP 53 CO 0.37 -0.00 0.95 -0.32 0.21 0.00 0.00 175.17 176.38 1ffp s MET 54 N -2.04 3.73 0.21 8.23 -2.45 -1.26 -4.59 119.30 121.13 1ffp s MET 54 Ca 0.45 0.72 -0.20 0.00 -1.25 0.00 0.00 55.69 55.41 1ffp s MET 54 Cb -0.17 -2.17 0.04 0.00 1.25 0.00 0.00 34.83 33.77 1ffp s MET 54 CO 0.21 -0.36 0.60 -1.12 1.05 0.00 0.00 175.02 175.41 1ffp s SER 55 N -3.68 -0.33 0.03 1.11 0.01 -0.83 -4.99 113.70 105.01 1ffp s SER 55 Ca 0.55 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.42 1ffp s SER 55 Cb -0.10 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 1ffp s SER 55 CO 0.43 -1.13 -0.07 0.72 0.41 0.00 0.00 173.24 173.60 1ffp s PHE 56 N -3.86 0.61 0.80 2.43 -0.12 -1.26 0.22 117.98 116.80 1ffp s PHE 56 Ca 0.08 -0.37 -0.12 0.00 -0.05 0.00 0.00 56.93 56.48 1ffp s PHE 56 Cb -0.03 -0.37 0.08 0.00 -0.63 0.00 0.00 43.02 42.07 1ffp s PHE 56 CO -0.02 -0.06 1.17 -1.12 -0.05 0.00 0.00 175.22 175.14 1ffp s SER 57 N -1.11 4.54 0.00 1.98 0.01 0.28 -4.89 113.70 114.52 1ffp s SER 57 Ca -0.06 0.76 0.10 0.00 1.31 0.00 0.00 55.95 58.06 1ffp s SER 57 Cb -0.07 -1.27 0.50 0.00 0.21 0.00 0.00 66.02 65.39 1ffp s SER 57 CO 0.00 -1.88 1.14 2.29 0.41 0.00 0.00 173.24 175.21 1ffp n LYS 58 N -3.29 0.18 -0.42 12.44 2.85 -1.26 0.75 118.16 129.42 1ffp n LYS 58 Ca 0.08 0.15 0.10 0.00 -1.05 0.00 0.00 58.31 57.59 1ffp n LYS 58 Cb 0.61 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 33.80 1ffp n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ffp n ASP 59 N -1.21 3.94 0.00 -5.58 5.75 -1.26 -4.94 116.55 113.24 1ffp n ASP 59 Ca 0.05 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1ffp n ASP 59 Cb 0.06 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ffp n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ffp n TRP 60 N 1.39 0.00 -0.87 2.11 5.03 0.23 -5.01 117.44 120.32 1ffp n TRP 60 Ca 0.23 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.46 1ffp n TRP 60 Cb 0.66 -0.07 0.14 0.00 -1.03 0.00 0.00 31.31 31.01 1ffp n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1ffp s SER 61 N -0.82 3.40 0.23 -0.99 1.04 -1.26 -4.54 113.70 110.75 1ffp s SER 61 Ca 0.00 2.07 0.07 0.00 0.48 0.00 0.00 55.95 58.58 1ffp s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1ffp s SER 61 CO 0.00 -2.78 0.11 -0.36 0.98 0.00 0.00 173.24 171.19 1ffp s PHE 62 N -2.73 2.99 0.07 5.02 0.40 0.21 -0.56 117.98 123.39 1ffp s PHE 62 Ca 0.65 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1ffp s PHE 62 Cb -0.21 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1ffp s PHE 62 CO 0.57 0.54 -0.05 1.52 0.70 0.00 0.00 175.22 178.50 1ffp s TYR 63 N -2.05 0.73 0.06 0.36 1.13 0.13 -2.59 117.35 115.13 1ffp s TYR 63 Ca 0.31 -0.90 -0.26 0.00 -1.41 0.00 0.00 57.07 54.81 1ffp s TYR 63 Cb -0.08 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.40 1ffp s TYR 63 CO 0.23 -0.21 0.67 -1.50 -2.51 0.00 0.00 175.55 172.22 1ffp s ILE 64 N -3.38 0.00 -0.26 -3.49 2.07 -0.09 -1.97 121.20 114.09 1ffp s ILE 64 Ca 0.07 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 1ffp s ILE 64 Cb 0.04 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.68 1ffp s ILE 64 CO -0.06 0.00 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.65 1ffp s LEU 65 N -2.13 3.35 0.06 8.50 2.96 -1.26 -1.21 118.68 128.95 1ffp s LEU 65 Ca -0.03 -1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 52.47 1ffp s LEU 65 Cb -0.01 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 1ffp s LEU 65 CO -0.04 -0.17 0.49 0.00 -1.32 0.00 0.00 176.35 175.30 1ffp s ALA 66 N 1.16 3.64 -0.05 5.97 0.00 0.25 0.06 121.76 132.79 1ffp s ALA 66 Ca -0.06 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1ffp s ALA 66 Cb -0.19 -2.48 0.09 0.00 0.00 0.00 0.00 23.12 20.54 1ffp s ALA 66 CO -0.05 0.46 0.76 -3.38 0.00 0.00 0.00 175.76 173.55 1ffp s HIS 67 N -1.20 -0.55 0.12 0.00 -3.43 0.28 -0.02 115.29 110.48 1ffp s HIS 67 Ca 0.29 0.86 -0.20 0.00 -0.80 0.00 0.00 55.06 55.21 1ffp s HIS 67 Cb -0.17 0.45 0.05 0.00 -1.43 0.00 0.00 32.58 31.48 1ffp s HIS 67 CO 0.17 -0.57 0.49 -0.08 -2.00 0.00 0.00 174.74 172.76 1ffp s THR 68 N -1.59 0.04 0.28 -5.38 -1.32 -0.64 0.17 115.64 107.19 1ffp s THR 68 Ca -0.06 -0.31 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 1ffp s THR 68 Cb -0.00 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.82 1ffp s THR 68 CO 0.04 -0.17 1.01 -1.61 -2.21 0.00 0.00 174.62 171.68 1ffp s GLU 69 N -3.52 4.69 0.00 7.08 8.01 -1.26 0.10 118.70 133.80 1ffp s GLU 69 Ca 0.01 1.60 0.00 0.00 0.01 0.00 0.00 54.97 56.59 1ffp s GLU 69 Cb 0.00 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.68 1ffp s GLU 69 CO -0.10 0.32 0.00 1.97 0.01 0.00 0.00 175.26 177.46 1ffp n PHE 70 N 1.16 0.00 -3.41 1.61 -1.74 0.16 -4.84 117.46 110.40 1ffp n PHE 70 Ca -0.01 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.90 1ffp n PHE 70 Cb 0.47 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.43 1ffp n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ffp s THR 71 N -1.63 -0.60 0.96 1.97 2.01 -1.26 -2.51 115.64 114.58 1ffp s THR 71 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1ffp s THR 71 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.67 1ffp s THR 71 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 1ffp s PRO 72 N 2.59 0.75 -0.30 4.92 0.04 -1.26 -4.86 135.00 136.89 1ffp s PRO 72 Ca -0.02 0.77 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1ffp s PRO 72 Cb -0.08 -1.75 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1ffp s PRO 72 CO -0.17 -2.57 1.20 0.95 0.04 0.00 0.00 177.00 176.44 1ffp s THR 73 N -2.88 -0.01 0.00 1.26 -4.23 -1.26 -2.45 115.64 106.07 1ffp s THR 73 Ca 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1ffp s THR 73 Cb -0.19 -0.05 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1ffp s THR 73 CO 0.58 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 174.04 1ffp n GLU 74 N 5.03 0.00 -0.01 3.99 1.02 -1.26 0.15 120.64 129.56 1ffp n GLU 74 Ca 0.10 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1ffp n GLU 74 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.02 1ffp n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ffp n THR 75 N 0.00 0.34 -2.74 2.62 -2.24 -1.26 -4.93 114.28 106.06 1ffp n THR 75 Ca 0.00 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1ffp n THR 75 Cb 0.00 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1ffp n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ffp s ASP 76 N -0.42 6.33 0.08 3.42 -1.08 0.39 -4.99 116.67 120.40 1ffp s ASP 76 Ca 0.02 -1.17 -0.30 0.00 -0.52 0.00 0.00 52.55 50.57 1ffp s ASP 76 Cb 0.01 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.94 1ffp s ASP 76 CO 0.02 -1.47 1.08 0.28 0.52 0.00 0.00 175.17 175.60 1ffp s THR 77 N 4.34 4.29 0.31 1.71 -1.32 -1.26 -4.51 115.64 119.19 1ffp s THR 77 Ca 0.32 1.75 0.10 0.00 -1.21 0.00 0.00 61.69 62.65 1ffp s THR 77 Cb -0.09 -4.12 -0.05 0.00 -1.51 0.00 0.00 72.50 66.73 1ffp s THR 77 CO 0.03 0.20 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.30 1ffp s TYR 78 N 0.56 2.53 0.19 9.09 1.51 -1.26 0.25 117.35 130.22 1ffp s TYR 78 Ca 0.53 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1ffp s TYR 78 Cb -0.26 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1ffp s TYR 78 CO 0.30 0.56 0.91 0.00 -1.11 0.00 0.00 175.55 176.21 1ffp s ALA 79 N -2.47 -1.52 -0.05 3.71 0.00 -0.25 -2.73 121.76 118.45 1ffp s ALA 79 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1ffp s ALA 79 Cb -0.02 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1ffp s ALA 79 CO 0.19 -1.04 -0.14 0.00 0.00 0.00 0.00 175.76 174.76 1ffp s ARG 81 N 0.35 2.58 -0.03 0.00 3.52 0.13 -1.07 118.95 124.43 1ffp s ARG 81 Ca -0.09 -0.70 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1ffp s ARG 81 Cb -0.13 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1ffp s ARG 81 CO 0.03 -0.02 -0.22 0.08 -0.81 0.00 0.00 175.30 174.36 1ffp s VAL 82 N 0.86 1.76 -0.09 7.11 1.01 0.09 -0.45 120.40 130.70 1ffp s VAL 82 Ca -0.08 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ffp s VAL 82 Cb -0.15 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ffp s VAL 82 CO -0.01 0.50 -0.14 -0.75 0.00 0.00 0.00 175.10 174.69 1ffp s LYS 83 N -0.36 2.06 -0.03 2.72 2.20 -0.41 -0.20 119.74 125.73 1ffp s LYS 83 Ca 0.04 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1ffp s LYS 83 Cb -0.10 -1.73 0.01 0.00 -1.51 0.00 0.00 37.83 34.50 1ffp s LYS 83 CO 0.01 -0.02 0.08 -1.58 -0.36 0.00 0.00 175.35 173.47 1ffp s HIS 84 N 0.85 -0.08 -0.14 4.03 2.46 -1.26 -2.22 115.29 118.93 1ffp s HIS 84 Ca -0.10 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.65 1ffp s HIS 84 Cb -0.15 -0.00 0.00 0.00 -0.13 0.00 0.00 32.58 32.29 1ffp s HIS 84 CO 0.01 -0.05 0.11 -0.25 -2.47 0.00 0.00 174.74 172.09 1ffp n ASP 85 N 3.23 0.33 0.00 9.88 8.00 -1.26 -1.08 116.55 135.65 1ffp n ASP 85 Ca -0.15 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1ffp n ASP 85 Cb 0.58 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1ffp n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ffp n SER 86 N 0.87 1.79 -4.30 -2.24 3.41 -1.26 -4.89 113.62 106.99 1ffp n SER 86 Ca 0.00 -0.21 -0.31 0.00 -0.26 0.00 0.00 58.87 58.09 1ffp n SER 86 Cb 0.06 0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 64.62 1ffp n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffp s MET 87 N -1.14 2.25 0.13 4.33 0.00 -0.24 -4.78 119.30 119.85 1ffp s MET 87 Ca 0.00 -0.92 0.14 0.00 0.00 0.00 0.00 55.69 54.91 1ffp s MET 87 Cb 0.00 -2.09 0.64 0.00 0.00 0.00 0.00 34.83 33.39 1ffp s MET 87 CO 0.00 0.51 1.43 0.00 0.00 0.00 0.00 175.02 176.96 1ffp n ALA 88 N 2.58 1.32 -3.47 3.16 0.00 -1.26 -4.69 120.51 118.16 1ffp n ALA 88 Ca -0.16 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1ffp n ALA 88 Cb 0.51 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1ffp n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ffp s GLU 89 N -3.20 0.97 0.44 0.00 1.03 -1.26 -5.15 118.70 111.54 1ffp s GLU 89 Ca 0.02 0.20 -0.26 0.00 0.03 0.00 0.00 54.97 54.96 1ffp s GLU 89 Cb 0.06 0.45 -0.09 0.00 -0.80 0.00 0.00 34.13 33.76 1ffp s GLU 89 CO 0.20 -0.29 1.44 -0.35 -1.33 0.00 0.00 175.26 174.92 1ffp n PRO 90 N 1.05 2.28 -3.73 -4.83 -0.04 -1.26 -4.88 135.00 123.60 1ffp n PRO 90 Ca -0.19 0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 63.72 1ffp n PRO 90 Cb 0.57 -2.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1ffp n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ffp s LYS 91 N -2.41 4.00 -0.18 0.54 2.20 0.72 -4.90 119.74 119.71 1ffp s LYS 91 Ca 0.60 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.10 1ffp s LYS 91 Cb -0.45 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1ffp s LYS 91 CO 0.58 0.42 -0.16 0.99 -0.36 0.00 0.00 175.35 176.82 1ffp s THR 92 N -0.02 1.88 -0.08 3.43 2.01 -1.26 -0.73 115.64 120.87 1ffp s THR 92 Ca 0.12 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1ffp s THR 92 Cb -0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1ffp s THR 92 CO 0.01 0.41 -0.18 0.68 -0.69 0.00 0.00 174.62 174.86 1ffp s VAL 93 N 1.34 2.70 -0.03 3.82 -7.23 -0.23 -4.96 120.40 115.81 1ffp s VAL 93 Ca 0.03 -0.82 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 1ffp s VAL 93 Cb -0.14 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1ffp s VAL 93 CO -0.11 0.56 0.31 -0.31 -0.31 0.00 0.00 175.10 175.24 1ffp s TYR 94 N -0.14 3.67 0.57 2.82 1.51 -1.26 -0.68 117.35 123.84 1ffp s TYR 94 Ca -0.02 0.80 -0.20 0.00 -1.01 0.00 0.00 57.07 56.64 1ffp s TYR 94 Cb -0.14 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1ffp s TYR 94 CO 0.04 0.67 1.25 -0.46 -1.11 0.00 0.00 175.55 175.93 1ffp s TRP 95 N -1.10 2.38 -0.36 2.71 -0.00 -1.10 -4.94 118.94 116.52 1ffp s TRP 95 Ca 0.22 1.48 0.01 0.00 -0.00 0.00 0.00 56.10 57.81 1ffp s TRP 95 Cb -0.15 -3.58 0.15 0.00 -0.00 0.00 0.00 33.47 29.89 1ffp s TRP 95 CO 0.11 -2.39 0.25 0.34 -0.00 0.00 0.00 176.95 175.25 1ffp s ASP 96 N -1.39 2.55 0.25 5.86 -1.08 -1.26 -4.89 116.67 116.70 1ffp s ASP 96 Ca 0.75 -2.17 0.23 0.00 -0.52 0.00 0.00 52.55 50.83 1ffp s ASP 96 Cb -0.34 -0.25 0.80 0.00 -1.46 0.00 0.00 42.92 41.68 1ffp s ASP 96 CO 0.37 -0.29 0.73 -2.11 0.52 0.00 0.00 175.17 174.40 1ffp n ARG 97 N 3.96 -0.00 -0.29 4.34 1.85 -1.26 0.19 116.66 125.45 1ffp n ARG 97 Ca 0.14 0.52 0.03 0.00 -1.00 0.00 0.00 57.85 57.53 1ffp n ARG 97 Cb 0.39 -1.17 0.14 0.00 -1.05 0.00 0.00 32.46 30.78 1ffp n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ffp n ASP 98 N -2.99 2.48 0.00 2.89 8.00 -1.26 -4.82 116.55 120.85 1ffp n ASP 98 Ca 0.21 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.44 1ffp n ASP 98 Cb 0.92 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1ffp n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04