#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ffn n PRO 2 N 0.00 0.89 -3.78 0.00 -0.02 -1.26 -5.01 135.00 125.83 2ffn n PRO 2 Ca 0.00 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.55 2ffn n PRO 2 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2ffn n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ffn s LYS 3 N -2.75 3.50 0.17 -0.52 1.02 -1.26 -5.07 119.74 114.83 2ffn s LYS 3 Ca 0.76 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 2ffn s LYS 3 Cb -0.42 -2.89 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 2ffn s LYS 3 CO 0.47 0.45 1.28 0.00 -0.92 0.00 0.00 175.35 176.63 2ffn s ALA 4 N -1.80 3.50 1.09 5.17 0.00 -1.26 -5.02 121.76 123.44 2ffn s ALA 4 Ca 0.37 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 2ffn s ALA 4 Cb -0.11 -3.47 0.24 0.00 0.00 0.00 0.00 23.12 19.78 2ffn s ALA 4 CO 0.29 -0.50 1.15 -1.25 0.00 0.00 0.00 175.76 175.45 2ffn s PRO 5 N 0.16 -0.31 0.74 0.00 0.04 -1.26 -5.01 135.00 129.36 2ffn s PRO 5 Ca 0.57 -0.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.47 2ffn s PRO 5 Cb -0.35 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2ffn s PRO 5 CO 0.36 -3.12 1.16 0.00 0.04 0.00 0.00 177.00 175.44 2ffn s ALA 6 N -3.21 2.15 1.17 8.56 0.00 -1.26 -4.73 121.76 124.44 2ffn s ALA 6 Ca 0.70 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 2ffn s ALA 6 Cb -0.11 -3.41 0.28 0.00 0.00 0.00 0.00 23.12 19.88 2ffn s ALA 6 CO 0.55 -1.81 1.04 -0.51 0.00 0.00 0.00 175.76 175.03 2ffn s ASP 7 N -2.40 1.04 0.00 0.00 1.01 -1.26 -4.19 116.67 110.87 2ffn s ASP 7 Ca 0.70 1.18 0.00 0.00 0.71 0.00 0.00 52.55 55.14 2ffn s ASP 7 Cb -0.25 -1.81 0.00 0.00 1.01 0.00 0.00 42.92 41.88 2ffn s ASP 7 CO 0.47 -4.12 0.00 0.61 0.21 0.00 0.00 175.17 172.34 2ffn n GLY 8 N 0.12 0.50 3.69 0.21 0.00 -1.24 -5.00 105.19 103.48 2ffn n GLY 8 Ca 0.06 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2ffn n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ffn s LEU 9 N 0.00 4.33 -0.24 0.99 0.20 -1.03 -4.82 118.68 118.10 2ffn s LEU 9 Ca 0.00 2.17 -0.13 0.00 0.69 0.00 0.00 54.13 56.86 2ffn s LEU 9 Cb 0.00 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2ffn s LEU 9 CO 0.00 -0.74 0.29 -0.75 -0.29 0.00 0.00 176.35 174.86 2ffn s LYS 10 N 2.37 4.08 -0.36 1.98 2.20 -1.26 0.46 119.74 129.22 2ffn s LYS 10 Ca 0.65 -0.05 -0.21 0.00 -0.36 0.00 0.00 55.97 56.00 2ffn s LYS 10 Cb -0.33 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2ffn s LYS 10 CO 0.27 -0.07 0.64 -1.64 -0.36 0.00 0.00 175.35 174.20 2ffn s MET 11 N 1.43 3.67 -0.31 4.03 -1.94 0.79 -4.94 119.30 122.03 2ffn s MET 11 Ca 0.13 0.06 0.18 0.00 -1.71 0.00 0.00 55.69 54.35 2ffn s MET 11 Cb -0.15 -3.81 0.47 0.00 2.01 0.00 0.00 34.83 33.35 2ffn s MET 11 CO 0.07 -0.75 1.02 -0.40 -0.01 0.00 0.00 175.02 174.95 2ffn n ASP 12 N 6.07 1.82 0.21 3.03 5.68 -1.26 -1.32 116.55 130.78 2ffn n ASP 12 Ca -0.01 -2.60 0.14 0.00 -0.50 0.00 0.00 54.79 51.82 2ffn n ASP 12 Cb 0.49 -0.50 0.42 0.00 -1.14 0.00 0.00 41.12 40.38 2ffn n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2ffn h LYS 13 N 2.82 0.00 -5.08 0.11 1.79 -1.95 -3.47 116.57 110.79 2ffn h LYS 13 Ca -0.07 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.77 2ffn h LYS 13 Cb 1.20 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.72 2ffn h LYS 13 CO 0.43 0.00 -0.50 0.95 -1.08 0.00 0.00 179.45 179.25 2ffn s THR 14 N -3.36 0.77 -2.17 -0.16 -4.23 -1.26 -5.03 115.64 100.20 2ffn s THR 14 Ca 0.05 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.86 2ffn s THR 14 Cb 0.08 -2.17 0.73 0.00 1.34 0.00 0.00 72.50 72.49 2ffn s THR 14 CO 0.58 0.00 2.01 0.29 -0.54 0.00 0.00 174.62 176.96 2ffn n LYS 15 N -1.13 1.24 -3.34 3.99 5.02 -1.26 -3.96 118.16 118.72 2ffn n LYS 15 Ca -0.14 -0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 55.47 2ffn n LYS 15 Cb 0.66 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 2ffn n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ffn n GLN 16 N -0.53 2.78 -1.86 1.97 1.13 -1.26 -5.10 117.38 114.51 2ffn n GLN 16 Ca 0.21 -4.69 -0.37 0.00 -1.94 0.00 0.00 57.00 50.21 2ffn n GLN 16 Cb 0.22 -2.28 0.04 0.00 0.11 0.00 0.00 30.24 28.33 2ffn n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2ffn s PRO 17 N -2.62 2.99 -0.00 -1.09 0.04 -1.25 -5.00 135.00 128.06 2ffn s PRO 17 Ca 0.40 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2ffn s PRO 17 Cb 0.16 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2ffn s PRO 17 CO -0.01 -1.25 -0.09 0.08 0.04 0.00 0.00 177.00 175.76 2ffn s VAL 18 N -1.41 0.70 -0.13 -0.36 1.01 -0.43 -4.90 120.40 114.87 2ffn s VAL 18 Ca 0.75 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 2ffn s VAL 18 Cb -0.36 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2ffn s VAL 18 CO 0.41 0.15 0.30 -0.69 0.00 0.00 0.00 175.10 175.27 2ffn s VAL 19 N -0.31 5.28 -0.14 2.92 1.01 -1.26 -0.15 120.40 127.75 2ffn s VAL 19 Ca 0.02 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2ffn s VAL 19 Cb -0.04 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2ffn s VAL 19 CO -0.00 0.45 -0.15 0.12 0.00 0.00 0.00 175.10 175.51 2ffn s PHE 20 N 0.04 2.77 -0.24 5.22 5.36 0.17 -4.94 117.98 126.36 2ffn s PHE 20 Ca 0.18 -0.91 -0.05 0.00 -0.96 0.00 0.00 56.93 55.19 2ffn s PHE 20 Cb -0.13 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 2ffn s PHE 20 CO 0.06 -0.38 -0.00 -0.80 -1.46 0.00 0.00 175.22 172.63 2ffn s ASN 21 N 0.61 4.61 0.37 6.13 0.01 -1.26 -2.48 114.94 122.93 2ffn s ASN 21 Ca -0.09 -0.46 0.07 0.00 -0.71 0.00 0.00 52.86 51.68 2ffn s ASN 21 Cb -0.16 -1.79 0.71 0.00 0.41 0.00 0.00 41.25 40.42 2ffn s ASN 21 CO 0.03 -0.06 1.89 0.45 -1.51 0.00 0.00 177.10 177.90 2ffn h HIS 22 N 8.15 0.36 -0.06 2.20 3.86 -1.85 -3.17 115.15 124.65 2ffn h HIS 22 Ca -0.38 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 58.77 2ffn h HIS 22 Cb 1.15 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 2ffn h HIS 22 CO 0.61 0.44 -0.05 0.66 0.86 0.00 0.00 177.93 180.45 2ffn h SER 23 N 0.33 0.07 0.19 2.45 4.64 -1.94 -0.37 113.55 118.92 2ffn h SER 23 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ffn h SER 23 Cb 0.37 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2ffn h SER 23 CO 0.02 0.13 -0.07 0.35 -0.87 0.00 0.00 176.83 176.38 2ffn n THR 24 N -4.44 0.00 -1.14 2.95 -2.24 -1.20 -3.73 114.28 104.48 2ffn n THR 24 Ca -0.02 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 2ffn n THR 24 Cb 0.15 0.02 0.19 0.00 -2.10 0.00 0.00 70.33 68.59 2ffn n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ffn n HIS 25 N -0.65 0.38 0.27 4.78 8.25 -0.16 -4.73 115.22 123.36 2ffn n HIS 25 Ca 0.17 -1.07 0.13 0.00 -0.26 0.00 0.00 57.72 56.69 2ffn n HIS 25 Cb 0.27 -0.24 0.74 0.00 1.12 0.00 0.00 29.99 31.88 2ffn n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2ffn h LYS 26 N 0.73 0.00 0.00 -0.41 1.57 -1.62 -1.22 116.57 115.61 2ffn h LYS 26 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2ffn h LYS 26 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2ffn h LYS 26 CO 0.10 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 2ffn n ALA 27 N -2.26 2.03 -2.85 3.86 0.00 -1.26 -4.69 120.51 115.33 2ffn n ALA 27 Ca -0.02 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 2ffn n ALA 27 Cb 0.23 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2ffn n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ffn s VAL 28 N -2.87 5.48 0.27 0.00 1.01 -0.46 -5.07 120.40 118.76 2ffn s VAL 28 Ca 0.14 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2ffn s VAL 28 Cb 0.14 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2ffn s VAL 28 CO 0.38 0.61 1.20 -0.75 0.00 0.00 0.00 175.10 176.54 2ffn s LYS 29 N -0.98 4.50 0.26 2.72 2.20 -1.26 -4.91 119.74 122.27 2ffn s LYS 29 Ca 0.15 1.97 -0.02 0.00 -0.36 0.00 0.00 55.97 57.71 2ffn s LYS 29 Cb -0.12 -3.16 0.55 0.00 -1.51 0.00 0.00 37.83 33.59 2ffn s LYS 29 CO 0.04 -0.01 1.68 0.00 -0.36 0.00 0.00 175.35 176.70 2ffn n GLY 31 N -1.36 -1.17 0.22 0.00 0.00 -1.26 -1.31 105.19 100.30 2ffn n GLY 31 Ca 0.17 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.18 2ffn n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ffn h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.42 -3.19 116.42 118.61 2ffn h ASP 32 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 2ffn h ASP 32 Cb 0.30 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 2ffn h ASP 32 CO 0.00 0.24 -1.81 0.00 -3.12 0.00 0.00 179.24 174.55 2ffn n HIS 34 N -3.53 3.71 -1.84 0.00 8.25 -0.43 -4.99 115.22 116.40 2ffn n HIS 34 Ca -0.28 -2.97 -0.30 0.00 -0.26 0.00 0.00 57.72 53.91 2ffn n HIS 34 Cb 0.71 -2.17 0.05 0.00 1.12 0.00 0.00 29.99 29.71 2ffn n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ffn s HIS 35 N 1.47 3.27 0.34 4.41 -0.00 -1.20 -3.54 115.29 120.04 2ffn s HIS 35 Ca 0.43 1.07 -0.29 0.00 -0.00 0.00 0.00 55.06 56.27 2ffn s HIS 35 Cb 0.07 -3.07 -0.11 0.00 -0.00 0.00 0.00 32.58 29.47 2ffn s HIS 35 CO -0.00 -1.25 1.44 -2.14 -0.00 0.00 0.00 174.74 172.79 2ffn s PRO 36 N -5.33 4.20 -0.06 -0.38 0.02 -1.26 -1.93 135.00 130.26 2ffn s PRO 36 Ca 0.58 2.43 0.01 0.00 0.02 0.00 0.00 61.00 64.05 2ffn s PRO 36 Cb -0.11 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2ffn s PRO 36 CO 0.52 -0.42 -0.07 0.08 -0.33 0.00 0.00 177.00 176.78 2ffn s VAL 37 N -0.89 0.76 -1.21 3.83 1.01 0.69 -4.75 120.40 119.84 2ffn s VAL 37 Ca 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 2ffn s VAL 37 Cb -0.44 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2ffn s VAL 37 CO 0.56 0.28 0.03 0.59 0.00 0.00 0.00 175.10 176.56 2ffn n ASN 38 N 4.09 -4.31 0.00 3.32 3.02 -1.26 -2.11 115.26 118.01 2ffn n ASN 38 Ca -0.22 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 2ffn n ASN 38 Cb 0.51 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.04 2ffn n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ffn n GLY 39 N -0.87 0.78 3.19 7.41 0.00 -1.26 -5.04 105.19 109.40 2ffn n GLY 39 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2ffn n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ffn s LYS 40 N -0.68 1.68 0.26 1.61 1.02 -0.89 -4.99 119.74 117.74 2ffn s LYS 40 Ca 0.00 -0.69 -0.31 0.00 0.02 0.00 0.00 55.97 54.99 2ffn s LYS 40 Cb 0.00 -1.57 -0.12 0.00 -0.52 0.00 0.00 37.83 35.62 2ffn s LYS 40 CO 0.00 0.39 1.65 0.39 -0.92 0.00 0.00 175.35 176.85 2ffn n GLU 41 N 2.72 2.73 -3.91 1.68 1.02 -1.26 -0.22 120.64 123.40 2ffn n GLU 41 Ca -0.16 0.98 -0.35 0.00 -0.02 0.00 0.00 57.16 57.61 2ffn n GLU 41 Cb 0.53 -2.79 -0.14 0.00 -0.02 0.00 0.00 31.44 29.03 2ffn n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ffn s ASP 42 N 0.75 4.29 -0.10 1.62 -1.08 -0.81 -4.86 116.67 116.48 2ffn s ASP 42 Ca 0.68 -0.40 0.18 0.00 -0.52 0.00 0.00 52.55 52.49 2ffn s ASP 42 Cb -0.50 -1.74 0.67 0.00 -1.46 0.00 0.00 42.92 39.89 2ffn s ASP 42 CO 0.42 -0.02 1.58 -1.22 0.52 0.00 0.00 175.17 176.45 2ffn n TYR 43 N 4.79 1.31 -1.42 -5.34 4.01 -1.26 -4.25 117.16 115.01 2ffn n TYR 43 Ca -0.18 -0.61 -0.32 0.00 -0.16 0.00 0.00 57.90 56.63 2ffn n TYR 43 Cb 0.51 -0.21 0.08 0.00 -0.31 0.00 0.00 39.34 39.41 2ffn n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ffn s GLN 44 N -1.76 2.37 0.45 -0.72 -0.21 -1.26 -4.95 119.66 113.57 2ffn s GLN 44 Ca 0.48 1.32 -0.24 0.00 0.02 0.00 0.00 55.36 56.94 2ffn s GLN 44 Cb 0.31 -1.90 -0.09 0.00 1.00 0.00 0.00 33.01 32.32 2ffn s GLN 44 CO 0.24 -1.58 1.16 1.63 -2.12 0.00 0.00 175.29 174.62 2ffn n LYS 45 N -3.10 1.61 -0.26 2.91 5.02 -1.26 -4.86 118.16 118.22 2ffn n LYS 45 Ca 0.10 0.58 0.04 0.00 -2.02 0.00 0.00 58.31 57.01 2ffn n LYS 45 Cb 0.52 -2.27 0.27 0.00 -0.02 0.00 0.00 35.03 33.54 2ffn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ffn n ALA 47 N -2.41 2.95 -1.57 0.00 0.00 -1.26 -1.33 120.51 116.89 2ffn n ALA 47 Ca 0.12 -1.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 2ffn n ALA 47 Cb 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.63 2ffn n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ffn n THR 48 N 0.58 2.34 -1.61 0.00 -1.04 -0.82 -4.25 114.28 109.48 2ffn n THR 48 Ca 0.16 -0.50 -0.48 0.00 -2.04 0.00 0.00 64.05 61.19 2ffn n THR 48 Cb 0.64 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 2ffn n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ffn n ALA 49 N -0.64 -0.10 0.00 2.41 0.00 -1.26 -0.32 120.51 120.60 2ffn n ALA 49 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2ffn n ALA 49 Cb 0.39 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2ffn n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ffn n GLY 50 N 2.28 2.00 0.00 0.00 0.00 -1.26 -4.95 105.19 103.26 2ffn n GLY 50 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2ffn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ffn n HIS 52 N 0.00 2.68 0.33 0.00 8.25 -0.44 -4.32 115.22 121.72 2ffn n HIS 52 Ca 0.00 -2.74 0.09 0.00 -0.26 0.00 0.00 57.72 54.81 2ffn n HIS 52 Cb 0.00 -1.72 0.15 0.00 1.12 0.00 0.00 29.99 29.54 2ffn n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2ffn n ASP 53 N 2.37 2.97 -4.52 0.41 5.68 -1.01 -4.16 116.55 118.30 2ffn n ASP 53 Ca 0.46 -1.87 -0.43 0.00 -0.50 0.00 0.00 54.79 52.44 2ffn n ASP 53 Cb 0.31 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 2ffn n ASP 53 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2ffn s ASN 54 N -1.32 6.35 -0.05 -1.12 3.84 -0.07 -4.90 114.94 117.66 2ffn s ASN 54 Ca 0.29 -0.36 0.05 0.00 0.21 0.00 0.00 52.86 53.06 2ffn s ASN 54 Cb 0.18 -2.39 0.24 0.00 -0.55 0.00 0.00 41.25 38.73 2ffn s ASN 54 CO 0.25 -1.05 1.00 0.23 -2.79 0.00 0.00 177.10 174.74 2ffn n MET 55 N 6.95 2.00 -2.63 0.43 2.81 -1.26 -1.88 117.12 123.54 2ffn n MET 55 Ca 0.01 -0.95 -0.42 0.00 -1.81 0.00 0.00 57.70 54.52 2ffn n MET 55 Cb 0.47 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 2ffn n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ffn s ASP 56 N -0.52 6.46 0.00 7.83 3.68 -1.26 -4.90 116.67 127.95 2ffn s ASP 56 Ca 0.17 0.09 0.12 0.00 2.13 0.00 0.00 52.55 55.06 2ffn s ASP 56 Cb 0.11 -2.53 0.60 0.00 -1.45 0.00 0.00 42.92 39.65 2ffn s ASP 56 CO 0.07 -1.40 1.33 2.29 0.13 0.00 0.00 175.17 177.59 2ffn n LYS 57 N 8.19 0.13 0.05 4.34 2.85 -1.26 -1.27 118.16 131.19 2ffn n LYS 57 Ca 0.08 0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.66 2ffn n LYS 57 Cb 0.49 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.47 2ffn n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ffn n LYS 58 N -1.34 0.30 -2.30 -1.58 5.02 -1.26 -4.68 118.16 112.32 2ffn n LYS 58 Ca 0.05 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 2ffn n LYS 58 Cb 0.11 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 2ffn n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ffn s ASP 59 N -4.13 7.02 -0.11 4.39 2.15 -0.39 -4.93 116.67 120.67 2ffn s ASP 59 Ca 0.05 2.39 0.14 0.00 0.43 0.00 0.00 52.55 55.56 2ffn s ASP 59 Cb 0.14 -2.62 0.30 0.00 -0.30 0.00 0.00 42.92 40.43 2ffn s ASP 59 CO 0.76 -0.38 1.20 0.29 -0.17 0.00 0.00 175.17 176.87 2ffn n LYS 60 N 1.76 2.15 -1.92 4.34 4.76 -1.26 -4.32 118.16 123.67 2ffn n LYS 60 Ca 0.02 -2.40 -0.30 0.00 -2.87 0.00 0.00 58.31 52.76 2ffn n LYS 60 Cb 0.44 -1.47 0.19 0.00 -1.84 0.00 0.00 35.03 32.34 2ffn n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ffn s SER 61 N -2.13 3.08 0.00 4.39 1.04 -1.26 -4.89 113.70 113.93 2ffn s SER 61 Ca 0.28 0.27 0.14 0.00 0.48 0.00 0.00 55.95 57.12 2ffn s SER 61 Cb 0.23 -0.32 0.76 0.00 0.10 0.00 0.00 66.02 66.79 2ffn s SER 61 CO 0.05 -2.76 1.33 0.00 0.98 0.00 0.00 173.24 172.84 2ffn n ALA 62 N -3.78 1.89 0.76 5.32 0.00 -1.26 -1.85 120.51 121.59 2ffn n ALA 62 Ca 0.15 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.60 2ffn n ALA 62 Cb 0.59 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 2ffn n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ffn n LYS 63 N -1.17 1.64 -2.24 0.00 5.02 -1.26 -4.46 118.16 115.69 2ffn n LYS 63 Ca 0.08 -0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 55.77 2ffn n LYS 63 Cb 0.09 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 2ffn n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ffn s GLY 64 N -2.42 1.28 0.02 0.72 0.00 -0.77 -0.90 107.32 105.26 2ffn s GLY 64 Ca 0.08 0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 2ffn s GLY 64 CO 0.62 2.84 1.46 -1.82 0.00 0.00 0.00 173.10 176.19 2ffn h TYR 65 N 10.17 -0.02 -0.72 1.90 5.03 -1.54 -2.25 116.97 129.54 2ffn h TYR 65 Ca -0.31 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.04 2ffn h TYR 65 Cb 1.13 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 2ffn h TYR 65 CO 0.90 0.26 0.44 -0.92 -1.32 0.00 0.00 178.16 177.52 2ffn h TYR 66 N -0.31 0.83 -0.49 -3.82 5.03 -1.86 -2.49 116.97 113.86 2ffn h TYR 66 Ca -0.00 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.40 2ffn h TYR 66 Cb 0.30 -0.27 -0.06 0.00 1.55 0.00 0.00 36.73 38.25 2ffn h TYR 66 CO 0.02 0.46 0.15 1.25 -1.32 0.00 0.00 178.16 178.72 2ffn h HIS 67 N 0.85 0.26 0.00 -3.82 2.76 -1.72 -1.54 115.15 111.94 2ffn h HIS 67 Ca 0.30 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2ffn h HIS 67 Cb 0.06 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.98 2ffn h HIS 67 CO -0.05 0.07 0.00 0.00 -1.30 0.00 0.00 177.93 176.65 2ffn h ALA 68 N 1.34 1.00 0.00 5.26 0.00 -0.94 -2.28 119.26 123.64 2ffn h ALA 68 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2ffn h ALA 68 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2ffn h ALA 68 CO -0.27 0.00 -2.07 -1.33 0.00 0.00 0.00 179.25 175.59 2ffn n MET 69 N -2.31 0.68 0.00 0.00 2.00 -0.81 -4.28 117.12 112.40 2ffn n MET 69 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.58 2ffn n MET 69 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.97 2ffn n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2ffn n HIS 70 N -2.36 0.00 -3.06 2.03 -0.00 -0.65 -2.38 115.22 108.80 2ffn n HIS 70 Ca -0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.35 2ffn n HIS 70 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.68 2ffn n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ffn s ASP 71 N -2.30 6.31 0.41 0.41 1.01 -0.88 -4.36 116.67 117.27 2ffn s ASP 71 Ca 0.00 0.70 0.05 0.00 0.71 0.00 0.00 52.55 54.01 2ffn s ASP 71 Cb 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2ffn s ASP 71 CO 0.00 -0.40 0.58 -0.54 0.21 0.00 0.00 175.17 175.03 2ffn s LYS 72 N -4.36 2.95 -0.43 8.23 1.02 -1.26 -4.34 119.74 121.55 2ffn s LYS 72 Ca 0.44 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2ffn s LYS 72 Cb -0.10 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 2ffn s LYS 72 CO 0.38 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 2ffn n GLY 73 N -1.89 0.68 3.89 -3.33 0.00 -1.26 -5.00 105.19 98.28 2ffn n GLY 73 Ca 0.03 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2ffn n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ffn s THR 74 N -2.02 4.88 0.33 2.61 -4.23 -1.26 -4.99 115.64 110.96 2ffn s THR 74 Ca 0.00 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2ffn s THR 74 Cb 0.00 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.33 2ffn s THR 74 CO 0.00 -0.54 1.98 0.50 -0.54 0.00 0.00 174.62 176.02 2ffn h LYS 75 N 1.14 0.87 -6.52 3.99 3.64 -1.98 -3.38 116.57 114.32 2ffn h LYS 75 Ca -0.47 -0.07 -0.69 0.00 -1.27 0.00 0.00 60.65 58.15 2ffn h LYS 75 Cb 1.19 -0.19 -0.23 0.00 -0.41 0.00 0.00 32.23 32.60 2ffn h LYS 75 CO 0.64 0.60 -0.80 -0.06 -2.27 0.00 0.00 179.45 177.56 2ffn s PHE 76 N -5.70 2.57 0.27 1.91 0.08 -1.26 -5.10 117.98 110.76 2ffn s PHE 76 Ca -0.10 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 2ffn s PHE 76 Cb 0.17 -1.50 -0.10 0.00 -0.57 0.00 0.00 43.02 41.02 2ffn s PHE 76 CO 0.77 0.22 1.48 0.15 -0.10 0.00 0.00 175.22 177.74 2ffn s LYS 77 N -1.24 4.23 0.70 0.44 1.02 -1.26 -5.00 119.74 118.62 2ffn s LYS 77 Ca 0.14 2.38 -0.06 0.00 0.02 0.00 0.00 55.97 58.44 2ffn s LYS 77 Cb -0.10 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2ffn s LYS 77 CO 0.04 -0.47 1.01 -1.54 -0.92 0.00 0.00 175.35 173.46 2ffn s SER 78 N 0.35 4.87 0.10 2.83 1.04 -1.26 -4.79 113.70 116.84 2ffn s SER 78 Ca 0.60 0.47 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 2ffn s SER 78 Cb -0.43 -1.14 -0.07 0.00 0.10 0.00 0.00 66.02 64.48 2ffn s SER 78 CO 0.45 -1.56 1.39 0.00 0.98 0.00 0.00 173.24 174.51 2ffn h VAL 80 N -0.16 1.28 -0.08 0.00 2.07 -1.71 -2.10 116.25 115.54 2ffn h VAL 80 Ca 0.08 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.17 2ffn h VAL 80 Cb 0.37 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2ffn h VAL 80 CO -0.54 0.48 -0.06 1.23 0.02 0.00 0.00 177.57 178.70 2ffn h GLY 81 N 0.94 0.02 1.05 2.17 0.00 -1.60 0.15 103.07 105.80 2ffn h GLY 81 Ca 0.08 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 2ffn h GLY 81 CO 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 176.54 176.45 2ffn h HIS 83 N 0.78 0.67 -0.80 0.00 3.86 -0.92 -1.18 115.15 117.57 2ffn h HIS 83 Ca 0.13 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2ffn h HIS 83 Cb 0.65 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 2ffn h HIS 83 CO 0.05 0.54 0.52 -0.07 0.86 0.00 0.00 177.93 179.83 2ffn h LEU 84 N 0.66 0.87 -0.61 2.43 3.38 -0.62 0.14 115.31 121.56 2ffn h LEU 84 Ca 0.16 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2ffn h LEU 84 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2ffn h LEU 84 CO -0.01 0.61 -0.50 -0.33 0.09 0.00 0.00 178.44 178.30 2ffn h GLU 85 N 1.02 0.50 -0.44 1.13 5.08 -1.36 -2.12 114.58 118.39 2ffn h GLU 85 Ca 0.31 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2ffn h GLU 85 Cb -0.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ffn h GLU 85 CO -0.10 0.89 -0.13 1.15 -1.00 0.00 0.00 179.01 179.82 2ffn h THR 86 N 0.40 1.26 0.00 1.13 2.02 -0.63 -3.09 112.91 114.00 2ffn h THR 86 Ca 0.02 -1.22 -0.18 0.00 0.77 0.00 0.00 66.41 65.80 2ffn h THR 86 Cb 1.01 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2ffn h THR 86 CO 0.09 0.42 -0.84 0.00 0.37 0.00 0.00 175.52 175.55 2ffn h ALA 87 N 1.11 0.59 -0.73 6.16 0.00 -0.88 -3.48 119.26 122.03 2ffn h ALA 87 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ffn h ALA 87 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ffn h ALA 87 CO 0.04 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.67 2ffn n GLY 88 N 0.84 3.39 0.62 0.00 0.00 -0.81 -1.08 105.19 108.16 2ffn n GLY 88 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2ffn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ffn n ALA 89 N 10.84 2.51 -2.60 4.61 0.00 -1.26 -4.84 120.51 129.77 2ffn n ALA 89 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 2ffn n ALA 89 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2ffn n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ffn s ASP 90 N -1.60 6.39 0.34 0.00 3.68 -0.24 -4.89 116.67 120.35 2ffn s ASP 90 Ca 0.33 -0.07 0.11 0.00 2.13 0.00 0.00 52.55 55.05 2ffn s ASP 90 Cb 0.18 -2.53 0.60 0.00 -1.45 0.00 0.00 42.92 39.73 2ffn s ASP 90 CO 0.27 -1.46 1.76 0.00 0.13 0.00 0.00 175.17 175.87 2ffn h ALA 91 N 9.54 1.26 -0.38 3.66 0.00 -1.88 0.14 119.26 131.61 2ffn h ALA 91 Ca -0.26 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2ffn h ALA 91 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2ffn h ALA 91 CO 1.18 0.54 -0.20 0.00 0.00 0.00 0.00 179.25 180.76 2ffn h ALA 92 N 1.53 0.54 -0.06 0.00 0.00 -1.96 -1.49 119.26 117.82 2ffn h ALA 92 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2ffn h ALA 92 Cb 0.76 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ffn h ALA 92 CO 0.06 0.50 -0.53 0.87 0.00 0.00 0.00 179.25 180.14 2ffn h LYS 93 N 0.61 0.17 -0.47 0.00 1.79 -1.77 -1.16 116.57 115.74 2ffn h LYS 93 Ca 0.08 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2ffn h LYS 93 Cb 0.76 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 2ffn h LYS 93 CO 0.06 0.66 0.31 0.87 -1.08 0.00 0.00 179.45 180.27 2ffn h LYS 94 N 0.14 0.61 -0.14 3.15 1.57 -0.56 0.14 116.57 121.48 2ffn h LYS 94 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2ffn h LYS 94 Cb 0.98 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ffn h LYS 94 CO 0.08 0.40 0.05 -0.22 -0.57 0.00 0.00 179.45 179.19 2ffn h LYS 95 N 0.63 0.22 -0.62 3.15 1.63 -1.09 0.22 116.57 120.71 2ffn h LYS 95 Ca 0.17 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 2ffn h LYS 95 Cb -0.06 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 2ffn h LYS 95 CO -0.04 0.35 0.18 0.93 -3.45 0.00 0.00 179.45 177.42 2ffn h GLU 96 N 0.05 0.96 0.00 1.90 5.08 -0.97 -2.37 114.58 119.23 2ffn h GLU 96 Ca 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2ffn h GLU 96 Cb 0.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ffn h GLU 96 CO -0.00 0.83 -1.61 1.28 -1.00 0.00 0.00 179.01 178.51 2ffn n LEU 97 N -4.27 0.00 0.00 1.33 4.77 0.48 -0.95 117.00 118.36 2ffn n LEU 97 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ffn n LEU 97 Cb 0.22 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2ffn n LEU 97 CO 0.40 0.01 0.11 0.35 -1.33 0.00 0.00 177.39 176.93 2ffn n THR 98 N -1.98 0.00 -1.94 -5.08 -2.24 0.73 -4.84 114.28 98.92 2ffn n THR 98 Ca -0.03 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 2ffn n THR 98 Cb 0.37 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2ffn n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ffn s GLY 99 N -0.25 2.92 0.43 3.38 0.00 -0.88 -4.91 107.32 108.01 2ffn s GLY 99 Ca 0.00 1.34 0.23 0.00 0.00 0.00 0.00 44.72 46.29 2ffn s GLY 99 CO 0.00 1.94 1.62 0.00 0.00 0.00 0.00 173.10 176.65 2ffn s LYS 101 N -3.21 0.64 -1.87 0.00 -2.85 -1.26 -4.77 119.74 106.41 2ffn s LYS 101 Ca 0.06 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 2ffn s LYS 101 Cb 0.05 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2ffn s LYS 101 CO 0.67 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 176.39 2ffn n GLY 102 N 0.17 0.13 3.85 0.59 0.00 -0.70 -4.97 105.19 104.25 2ffn n GLY 102 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2ffn n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ffn s SER 103 N -2.23 4.60 0.25 1.61 1.04 -0.37 -4.74 113.70 113.86 2ffn s SER 103 Ca 0.00 -1.18 0.23 0.00 0.48 0.00 0.00 55.95 55.49 2ffn s SER 103 Cb 0.00 0.09 0.96 0.00 0.10 0.00 0.00 66.02 67.18 2ffn s SER 103 CO 0.00 -0.90 1.70 0.29 0.98 0.00 0.00 173.24 175.31 2ffn n LYS 104 N -1.58 0.19 -0.12 4.02 5.02 -0.12 -3.37 118.16 122.20 2ffn n LYS 104 Ca -0.02 0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 56.44 2ffn n LYS 104 Cb 0.64 -1.86 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 2ffn n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ffn s HIS 106 N -2.42 2.79 -1.87 0.00 3.76 -1.22 -4.64 115.29 111.69 2ffn s HIS 106 Ca -0.32 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 2ffn s HIS 106 Cb 0.09 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.86 2ffn s HIS 106 CO 0.54 -0.57 0.47 -1.13 -0.85 0.00 0.00 174.74 173.20