#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwf s ILE 2 N 0.00 1.22 0.15 1.12 1.01 -1.26 -5.11 121.20 118.34 1fwf s ILE 2 Ca 0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 60.65 59.68 1fwf s ILE 2 Cb 0.00 -1.33 -0.15 0.00 0.01 0.00 0.00 42.46 40.99 1fwf s ILE 2 CO 0.00 0.21 1.38 -2.65 0.00 0.00 0.00 174.94 173.88 1fwf n PRO 3 N 4.85 1.57 -1.56 2.79 -0.02 -1.26 -2.21 135.00 139.16 1fwf n PRO 3 Ca -0.13 0.56 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 1fwf n PRO 3 Cb 0.48 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1fwf n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwf n GLY 4 N 2.58 1.84 3.76 -1.23 0.00 -1.26 -4.97 105.19 105.92 1fwf n GLY 4 Ca 0.16 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1fwf n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fwf s GLU 5 N -3.63 3.04 0.26 1.61 -1.05 -0.94 -5.03 118.70 112.96 1fwf s GLU 5 Ca 0.00 1.70 -0.01 0.00 -0.15 0.00 0.00 54.97 56.50 1fwf s GLU 5 Cb 0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1fwf s GLU 5 CO 0.00 -1.12 0.47 0.71 0.95 0.00 0.00 175.26 176.27 1fwf s TYR 6 N -1.77 3.48 -0.50 4.83 4.12 -1.26 -5.05 117.35 121.21 1fwf s TYR 6 Ca 0.74 0.41 0.04 0.00 0.02 0.00 0.00 57.07 58.29 1fwf s TYR 6 Cb -0.27 -1.92 0.17 0.00 -1.52 0.00 0.00 41.96 38.42 1fwf s TYR 6 CO 0.33 0.26 0.38 -1.58 0.02 0.00 0.00 175.55 174.95 1fwf s HIS 7 N -2.04 1.87 0.01 2.71 5.65 -1.26 -5.10 115.29 117.13 1fwf s HIS 7 Ca 0.40 -2.61 -0.30 0.00 0.25 0.00 0.00 55.06 52.80 1fwf s HIS 7 Cb -0.10 -1.51 -0.03 0.00 -1.18 0.00 0.00 32.58 29.75 1fwf s HIS 7 CO 0.31 -0.74 1.02 0.08 -0.65 0.00 0.00 174.74 174.76 1fwf s VAL 8 N -0.34 4.70 0.21 0.89 1.01 -1.26 -5.03 120.40 120.58 1fwf s VAL 8 Ca 0.29 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.91 1fwf s VAL 8 Cb -0.01 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1fwf s VAL 8 CO -0.17 0.15 1.01 -1.59 0.00 0.00 0.00 175.10 174.50 1fwf s LYS 9 N 1.04 4.72 0.68 2.72 -2.85 -1.26 -5.01 119.74 119.79 1fwf s LYS 9 Ca 0.53 1.60 -0.17 0.00 -1.00 0.00 0.00 55.97 56.93 1fwf s LYS 9 Cb -0.23 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.27 1fwf s LYS 9 CO 0.28 0.30 1.24 -1.25 0.10 0.00 0.00 175.35 176.01 1fwf s PRO 10 N -0.81 2.42 0.00 1.78 0.04 -1.26 -4.92 135.00 132.25 1fwf s PRO 10 Ca 0.45 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1fwf s PRO 10 Cb -0.27 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1fwf s PRO 10 CO 0.34 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.14 1fwf n GLY 11 N 0.59 0.93 3.13 0.56 0.00 -1.26 -5.12 105.19 104.02 1fwf n GLY 11 Ca 0.14 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1fwf n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fwf s GLN 12 N -1.76 0.73 -0.10 1.61 -0.21 -1.26 -5.15 119.66 113.52 1fwf s GLN 12 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 55.36 54.19 1fwf s GLN 12 Cb 0.00 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.24 1fwf s GLN 12 CO 0.00 -0.18 -0.14 0.42 -2.12 0.00 0.00 175.29 173.27 1fwf s ILE 13 N -3.93 2.99 -0.19 1.08 -1.09 -1.26 -5.10 121.20 113.70 1fwf s ILE 13 Ca 0.10 -0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 57.63 1fwf s ILE 13 Cb 0.07 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 1fwf s ILE 13 CO -0.08 0.55 0.50 0.00 -1.23 0.00 0.00 174.94 174.68 1fwf s ALA 14 N -0.09 3.54 0.08 9.38 0.00 -1.26 -5.06 121.76 128.34 1fwf s ALA 14 Ca -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1fwf s ALA 14 Cb -0.14 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1fwf s ALA 14 CO 0.04 -0.37 0.31 -0.51 0.00 0.00 0.00 175.76 175.22 1fwf s LEU 15 N 1.48 4.32 -1.50 0.00 1.43 -1.26 -4.57 118.68 118.59 1fwf s LEU 15 Ca 0.24 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1fwf s LEU 15 Cb -0.15 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1fwf s LEU 15 CO 0.10 0.15 0.34 0.59 0.23 0.00 0.00 176.35 177.75 1fwf n ASN 16 N 0.50 -0.29 -4.77 2.29 4.13 -1.26 -4.91 115.26 110.95 1fwf n ASN 16 Ca -0.06 -1.10 -0.37 0.00 1.68 0.00 0.00 54.58 54.73 1fwf n ASN 16 Cb 0.52 -2.53 -0.02 0.00 -1.54 0.00 0.00 39.78 36.21 1fwf n ASN 16 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1fwf s THR 17 N -4.00 3.34 -0.25 3.41 -4.23 -1.26 -3.53 115.64 109.12 1fwf s THR 17 Ca 0.11 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1fwf s THR 17 Cb -0.06 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1fwf s THR 17 CO 0.93 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 1fwf n GLY 18 N 0.42 0.54 3.23 3.99 0.00 -1.26 -5.05 105.19 107.06 1fwf n GLY 18 Ca 0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 1fwf n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwf s ARG 19 N -2.36 1.40 0.26 1.61 0.52 -1.23 -5.11 118.95 114.04 1fwf s ARG 19 Ca 0.00 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.04 1fwf s ARG 19 Cb 0.00 -1.46 -0.12 0.00 0.52 0.00 0.00 34.95 33.89 1fwf s ARG 19 CO 0.00 0.38 1.57 0.00 0.02 0.00 0.00 175.30 177.27 1fwf n ALA 20 N 2.05 2.23 -2.33 2.13 0.00 -1.26 -4.87 120.51 118.47 1fwf n ALA 20 Ca -0.17 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 1fwf n ALA 20 Cb 0.53 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 1fwf n ALA 20 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fwf s THR 21 N 0.19 0.85 -0.10 0.00 -4.23 -1.26 -1.12 115.64 109.97 1fwf s THR 21 Ca 0.67 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.87 1fwf s THR 21 Cb -0.54 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 70.93 1fwf s THR 21 CO 0.46 -0.21 0.77 0.00 -0.54 0.00 0.00 174.62 175.11 1fwf s ARG 23 N -1.03 3.16 -0.03 0.00 0.52 -1.26 0.21 118.95 120.52 1fwf s ARG 23 Ca -0.08 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1fwf s ARG 23 Cb -0.01 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.55 1fwf s ARG 23 CO 0.07 0.68 0.06 0.08 0.02 0.00 0.00 175.30 176.21 1fwf s VAL 24 N -1.14 -0.02 -0.11 3.52 1.01 -0.29 -4.97 120.40 118.39 1fwf s VAL 24 Ca 0.21 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 1fwf s VAL 24 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1fwf s VAL 24 CO 0.11 0.04 0.65 -0.69 0.00 0.00 0.00 175.10 175.21 1fwf s VAL 25 N 0.49 5.06 -0.03 2.92 1.01 -1.26 -0.72 120.40 127.86 1fwf s VAL 25 Ca -0.04 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1fwf s VAL 25 Cb -0.05 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1fwf s VAL 25 CO -0.02 0.23 -0.20 -0.69 0.00 0.00 0.00 175.10 174.42 1fwf s VAL 26 N 1.06 1.59 -0.07 2.92 1.01 0.79 -4.58 120.40 123.11 1fwf s VAL 26 Ca 0.33 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1fwf s VAL 26 Cb -0.17 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1fwf s VAL 26 CO 0.15 0.45 -0.11 -0.70 0.00 0.00 0.00 175.10 174.89 1fwf s GLU 27 N -0.22 1.57 -0.44 2.72 2.12 -0.61 -0.87 118.70 122.98 1fwf s GLU 27 Ca 0.01 -0.35 -0.26 0.00 0.36 0.00 0.00 54.97 54.73 1fwf s GLU 27 Cb -0.10 -1.36 0.02 0.00 0.26 0.00 0.00 34.13 32.95 1fwf s GLU 27 CO 0.01 -0.02 0.93 1.21 -0.54 0.00 0.00 175.26 176.85 1fwf s ASN 28 N 0.83 6.54 0.00 -1.70 2.47 0.36 -0.33 114.94 123.11 1fwf s ASN 28 Ca -0.12 0.23 0.25 0.00 0.42 0.00 0.00 52.86 53.64 1fwf s ASN 28 Cb -0.15 -2.46 0.51 0.00 -1.45 0.00 0.00 41.25 37.70 1fwf s ASN 28 CO 0.02 -1.01 1.42 1.41 -3.72 0.00 0.00 177.10 175.21 1fwf n HIS 29 N 7.10 0.00 -1.95 0.43 8.25 -0.23 -0.84 115.22 127.98 1fwf n HIS 29 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 1fwf n HIS 29 Cb 0.48 -0.06 0.09 0.00 1.12 0.00 0.00 29.99 31.62 1fwf n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fwf s GLY 30 N -2.42 1.62 0.00 -1.41 0.00 -1.25 -4.88 107.32 98.97 1fwf s GLY 30 Ca 0.24 -0.73 0.24 0.00 0.00 0.00 0.00 44.72 44.47 1fwf s GLY 30 CO 0.51 -0.23 1.41 2.09 0.00 0.00 0.00 173.10 176.87 1fwf n ASP 31 N -3.30 2.79 -4.20 1.64 5.75 -1.26 -4.05 116.55 113.92 1fwf n ASP 31 Ca 0.09 -1.90 -0.22 0.00 -0.01 0.00 0.00 54.79 52.74 1fwf n ASP 31 Cb 0.61 -0.10 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 1fwf n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1fwf s ARG 32 N -1.80 1.13 0.62 0.11 0.52 -1.26 -4.82 118.95 113.45 1fwf s ARG 32 Ca 0.34 -0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 1fwf s ARG 32 Cb 0.21 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 34.45 1fwf s ARG 32 CO 0.31 0.30 1.27 -1.25 0.02 0.00 0.00 175.30 175.95 1fwf s PRO 33 N -1.24 2.72 -0.05 3.54 0.04 -1.26 -4.49 135.00 134.26 1fwf s PRO 33 Ca 0.04 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1fwf s PRO 33 Cb -0.08 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1fwf s PRO 33 CO 0.02 -1.45 -0.09 0.42 0.04 0.00 0.00 177.00 175.94 1fwf s ILE 34 N -1.45 0.88 -0.10 0.56 1.01 -0.36 -4.99 121.20 116.75 1fwf s ILE 34 Ca 0.80 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1fwf s ILE 34 Cb -0.35 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1fwf s ILE 34 CO 0.38 0.29 -0.18 -1.58 0.00 0.00 0.00 174.94 173.86 1fwf s GLN 35 N 0.67 2.41 -0.14 2.79 0.74 -1.26 0.23 119.66 125.09 1fwf s GLN 35 Ca -0.12 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 1fwf s GLN 35 Cb -0.14 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.00 1fwf s GLN 35 CO 0.02 0.03 -0.11 0.08 -0.55 0.00 0.00 175.29 174.76 1fwf s VAL 36 N 0.73 3.23 0.66 1.34 1.01 0.03 -4.95 120.40 122.44 1fwf s VAL 36 Ca -0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1fwf s VAL 36 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1fwf s VAL 36 CO 0.02 0.51 1.05 -0.83 0.00 0.00 0.00 175.10 175.85 1fwf s GLY 37 N 0.40 1.66 0.33 4.51 0.00 -1.26 -1.34 107.32 111.62 1fwf s GLY 37 Ca -0.09 -0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.68 1fwf s GLY 37 CO 0.05 0.28 1.84 1.48 0.00 0.00 0.00 173.10 176.75 1fwf h SER 38 N -0.53 0.75 -0.56 1.64 4.64 -1.47 -3.03 113.55 114.99 1fwf h SER 38 Ca -0.44 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1fwf h SER 38 Cb 1.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1fwf h SER 38 CO 0.59 0.37 0.00 1.41 -0.87 0.00 0.00 176.83 178.33 1fwf n HIS 39 N -4.61 0.84 -2.48 4.77 8.25 -1.26 -2.64 115.22 118.09 1fwf n HIS 39 Ca 0.19 -0.53 -0.39 0.00 -0.26 0.00 0.00 57.72 56.73 1fwf n HIS 39 Cb 0.46 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 1fwf n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1fwf s TYR 40 N -1.15 3.46 -0.57 4.41 5.04 -1.14 -4.92 117.35 122.48 1fwf s TYR 40 Ca 0.39 1.68 -0.27 0.00 -2.44 0.00 0.00 57.07 56.43 1fwf s TYR 40 Cb 0.21 -3.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.25 1fwf s TYR 40 CO 0.25 -0.61 1.95 -1.58 -1.34 0.00 0.00 175.55 174.21 1fwf s HIS 41 N -1.31 1.58 0.40 4.97 5.65 -1.26 -4.43 115.29 120.88 1fwf s HIS 41 Ca 0.49 0.90 0.17 0.00 0.25 0.00 0.00 55.06 56.87 1fwf s HIS 41 Cb -0.29 -4.01 1.06 0.00 -1.18 0.00 0.00 32.58 28.16 1fwf s HIS 41 CO 0.37 -2.40 1.81 0.35 -0.65 0.00 0.00 174.74 174.21 1fwf h PHE 42 N 15.53 0.65 0.00 3.88 3.57 -1.47 0.53 116.94 139.62 1fwf h PHE 42 Ca -0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1fwf h PHE 42 Cb 1.18 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1fwf h PHE 42 CO 1.02 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 1fwf h ALA 43 N 1.61 1.00 -0.21 2.41 0.00 -1.77 -2.74 119.26 119.57 1fwf h ALA 43 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 1fwf h ALA 43 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1fwf h ALA 43 CO -0.25 0.00 -0.06 0.39 0.00 0.00 0.00 179.25 179.33 1fwf n GLU 44 N -2.38 2.13 -1.25 0.00 1.02 0.18 -4.97 120.64 115.36 1fwf n GLU 44 Ca -0.00 -2.92 -0.29 0.00 -0.02 0.00 0.00 57.16 53.93 1fwf n GLU 44 Cb 0.12 -1.74 0.20 0.00 -0.02 0.00 0.00 31.44 29.99 1fwf n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1fwf s VAL 45 N -2.99 1.85 -0.12 2.62 -7.23 -1.03 -4.48 120.40 109.01 1fwf s VAL 45 Ca 0.40 0.00 -0.40 0.00 -1.81 0.00 0.00 61.98 60.17 1fwf s VAL 45 Cb 0.35 -2.57 -0.18 0.00 0.56 0.00 0.00 36.38 34.54 1fwf s VAL 45 CO 0.04 0.00 1.43 -3.20 -0.31 0.00 0.00 175.10 173.05 1fwf n ASN 46 N -4.31 1.40 0.23 4.85 2.85 -1.26 -4.83 115.26 114.19 1fwf n ASN 46 Ca 0.09 1.13 0.17 0.00 -0.11 0.00 0.00 54.58 55.86 1fwf n ASN 46 Cb 0.59 -1.07 0.74 0.00 1.24 0.00 0.00 39.78 41.27 1fwf n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1fwf h PRO 47 N 4.97 0.00 0.00 1.20 0.11 -1.99 -1.51 132.00 134.79 1fwf h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1fwf h PRO 47 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1fwf h PRO 47 CO 0.83 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1fwf h ALA 48 N 1.30 1.00 -2.00 -0.75 0.00 -1.95 -3.41 119.26 113.44 1fwf h ALA 48 Ca 0.09 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.42 1fwf h ALA 48 Cb 0.96 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1fwf h ALA 48 CO -0.00 0.00 0.78 -0.51 0.00 0.00 0.00 179.25 179.52 1fwf s LEU 49 N -6.03 3.97 -0.23 0.00 1.43 -0.57 -1.06 118.68 116.19 1fwf s LEU 49 Ca 0.01 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.00 1fwf s LEU 49 Cb 0.09 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1fwf s LEU 49 CO 0.53 -0.83 0.25 -0.75 0.23 0.00 0.00 176.35 175.78 1fwf s LYS 50 N 3.52 4.11 0.14 1.70 2.20 0.55 -4.91 119.74 127.05 1fwf s LYS 50 Ca 0.43 -0.10 -0.24 0.00 -0.36 0.00 0.00 55.97 55.71 1fwf s LYS 50 Cb -0.13 -3.54 0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1fwf s LYS 50 CO 0.14 0.02 1.08 -0.59 -0.36 0.00 0.00 175.35 175.64 1fwf s PHE 51 N 1.16 0.03 -0.98 4.03 -0.12 -1.26 -1.57 117.98 119.27 1fwf s PHE 51 Ca 0.12 -0.36 -0.23 0.00 -0.05 0.00 0.00 56.93 56.40 1fwf s PHE 51 Cb -0.14 0.67 0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1fwf s PHE 51 CO 0.06 -0.79 1.50 0.34 -0.05 0.00 0.00 175.22 176.28 1fwf s ASP 52 N -3.36 6.32 0.50 1.98 -1.08 -1.26 -4.82 116.67 114.94 1fwf s ASP 52 Ca 0.21 -1.28 0.15 0.00 -0.52 0.00 0.00 52.55 51.12 1fwf s ASP 52 Cb -0.02 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 40.06 1fwf s ASP 52 CO 0.04 -1.68 2.11 0.03 0.52 0.00 0.00 175.17 176.18 1fwf h ARG 53 N 10.03 0.02 -0.41 4.34 2.47 -1.97 -2.14 114.38 126.71 1fwf h ARG 53 Ca 0.15 -0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 1fwf h ARG 53 Cb 1.01 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 1fwf h ARG 53 CO 1.39 0.06 -0.00 0.37 0.56 0.00 0.00 179.97 182.35 1fwf h GLN 54 N 0.02 0.66 -0.00 0.04 4.15 -1.95 -2.65 115.11 115.37 1fwf h GLN 54 Ca 0.00 -0.16 -0.18 0.00 0.77 0.00 0.00 58.65 59.08 1fwf h GLN 54 Cb 0.08 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1fwf h GLN 54 CO 0.01 0.68 -0.83 0.37 -1.93 0.00 0.00 178.83 177.12 1fwf h GLN 55 N 0.62 0.11 -0.00 1.69 5.75 -1.80 -3.21 115.11 118.27 1fwf h GLN 55 Ca 0.13 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1fwf h GLN 55 Cb 0.39 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1fwf h GLN 55 CO 0.01 0.87 -0.00 0.00 -2.65 0.00 0.00 178.83 177.06 1fwf n ALA 56 N -2.43 2.63 -1.67 3.38 0.00 -1.02 -4.87 120.51 116.53 1fwf n ALA 56 Ca -0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1fwf n ALA 56 Cb 0.78 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1fwf n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fwf s ALA 57 N -2.19 3.36 0.00 0.00 0.00 -1.08 -1.44 121.76 120.41 1fwf s ALA 57 Ca 0.41 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1fwf s ALA 57 Cb 0.21 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1fwf s ALA 57 CO 0.40 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.69 1fwf n GLY 58 N 4.85 0.63 3.60 0.00 0.00 -1.26 -5.03 105.19 107.98 1fwf n GLY 58 Ca 0.22 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1fwf n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwf s TYR 59 N -2.00 2.62 0.23 1.61 2.02 -0.52 -0.91 117.35 120.40 1fwf s TYR 59 Ca 0.00 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1fwf s TYR 59 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1fwf s TYR 59 CO 0.00 0.62 0.14 -0.98 -1.57 0.00 0.00 175.55 173.76 1fwf s ARG 60 N -3.52 1.33 0.18 -0.62 1.70 -0.41 -1.38 118.95 116.24 1fwf s ARG 60 Ca 0.30 -1.72 -0.30 0.00 -0.47 0.00 0.00 55.73 53.54 1fwf s ARG 60 Cb -0.07 0.11 -0.09 0.00 -0.57 0.00 0.00 34.95 34.34 1fwf s ARG 60 CO 0.18 -0.39 1.32 -0.51 -1.08 0.00 0.00 175.30 174.82 1fwf s LEU 61 N -3.23 4.41 -1.33 -1.89 1.43 -1.08 -0.56 118.68 116.42 1fwf s LEU 61 Ca 0.39 2.38 -0.10 0.00 -1.03 0.00 0.00 54.13 55.77 1fwf s LEU 61 Cb 0.07 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.81 1fwf s LEU 61 CO 0.14 -0.54 2.03 -3.20 0.23 0.00 0.00 176.35 175.01 1fwf n ASN 62 N 2.83 5.23 -4.20 2.29 2.85 -0.35 -4.67 115.26 119.23 1fwf n ASN 62 Ca 0.07 -3.04 -0.13 0.00 -0.11 0.00 0.00 54.58 51.36 1fwf n ASN 62 Cb 0.43 -1.51 -0.10 0.00 1.24 0.00 0.00 39.78 39.84 1fwf n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1fwf s ILE 63 N 0.85 0.97 0.22 -1.44 -4.36 -1.26 -4.92 121.20 111.26 1fwf s ILE 63 Ca 0.43 -1.87 -0.32 0.00 -0.26 0.00 0.00 60.65 58.63 1fwf s ILE 63 Cb 0.12 -1.63 -0.14 0.00 1.25 0.00 0.00 42.46 42.06 1fwf s ILE 63 CO -0.02 -0.71 1.32 -0.81 0.24 0.00 0.00 174.94 174.96 1fwf n PRO 64 N 0.12 1.75 -1.59 0.37 -0.04 -1.26 -4.82 135.00 129.53 1fwf n PRO 64 Ca -0.13 0.62 -0.52 0.00 -0.04 0.00 0.00 63.50 63.43 1fwf n PRO 64 Cb 0.60 -2.22 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1fwf n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwf n ALA 65 N 1.72 -1.02 0.00 0.55 0.00 -1.26 -1.77 120.51 118.73 1fwf n ALA 65 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1fwf n ALA 65 Cb 0.29 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1fwf n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwf n GLY 66 N 2.53 3.07 3.97 0.00 0.00 -1.26 -5.06 105.19 108.45 1fwf n GLY 66 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1fwf n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fwf s THR 67 N -2.60 2.22 0.16 2.61 -4.23 -0.73 -4.84 115.64 108.24 1fwf s THR 67 Ca 0.00 -0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1fwf s THR 67 Cb 0.00 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1fwf s THR 67 CO 0.00 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 1fwf s ALA 68 N -3.20 0.31 -0.09 3.99 0.00 -1.26 -1.18 121.76 120.33 1fwf s ALA 68 Ca 0.65 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1fwf s ALA 68 Cb -0.07 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1fwf s ALA 68 CO 0.45 -0.61 -0.20 0.08 0.00 0.00 0.00 175.76 175.48 1fwf s VAL 69 N -4.01 2.49 -0.00 0.00 1.01 -0.45 -4.95 120.40 114.50 1fwf s VAL 69 Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1fwf s VAL 69 Cb 0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1fwf s VAL 69 CO 0.02 0.55 0.06 -0.60 0.00 0.00 0.00 175.10 175.13 1fwf s ARG 70 N 0.11 2.98 -0.24 2.72 3.52 -1.26 -0.79 118.95 125.98 1fwf s ARG 70 Ca -0.10 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1fwf s ARG 70 Cb -0.16 -2.80 0.07 0.00 -1.56 0.00 0.00 34.95 30.50 1fwf s ARG 70 CO 0.06 0.64 0.01 -0.06 -0.81 0.00 0.00 175.30 175.13 1fwf s PHE 71 N -1.16 1.96 0.77 5.12 0.08 0.14 -4.99 117.98 119.89 1fwf s PHE 71 Ca 0.22 -1.57 -0.11 0.00 0.12 0.00 0.00 56.93 55.59 1fwf s PHE 71 Cb -0.12 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1fwf s PHE 71 CO 0.13 -0.76 1.08 -1.21 -0.10 0.00 0.00 175.22 174.36 1fwf s GLU 72 N 1.54 2.30 0.17 0.44 0.41 -1.26 -1.22 118.70 121.07 1fwf s GLU 72 Ca -0.01 0.95 -0.34 0.00 -0.41 0.00 0.00 54.97 55.17 1fwf s GLU 72 Cb -0.18 -1.92 -0.14 0.00 -1.78 0.00 0.00 34.13 30.12 1fwf s GLU 72 CO -0.10 -1.55 1.60 -2.30 -0.49 0.00 0.00 175.26 172.41 1fwf n PRO 73 N -3.43 2.25 -0.06 0.39 -0.02 -1.26 -1.28 135.00 131.58 1fwf n PRO 73 Ca 0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1fwf n PRO 73 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1fwf n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwf n GLY 74 N 3.48 2.06 3.75 -1.23 0.00 -0.02 -5.01 105.19 108.21 1fwf n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fwf n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fwf s GLN 75 N -0.28 4.40 -0.05 1.61 0.74 -0.41 -4.67 119.66 121.00 1fwf s GLN 75 Ca 0.00 2.09 0.04 0.00 0.05 0.00 0.00 55.36 57.54 1fwf s GLN 75 Cb 0.00 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1fwf s GLN 75 CO 0.00 -0.18 -0.17 0.21 -0.55 0.00 0.00 175.29 174.60 1fwf s LYS 76 N -0.88 1.92 0.09 1.67 2.20 -1.26 -0.49 119.74 123.00 1fwf s LYS 76 Ca 0.53 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 55.27 1fwf s LYS 76 Cb -0.37 -1.62 0.07 0.00 -1.51 0.00 0.00 37.83 34.40 1fwf s LYS 76 CO 0.44 0.20 0.66 -0.98 -0.36 0.00 0.00 175.35 175.31 1fwf s ARG 77 N 0.18 1.16 -0.19 4.03 1.70 -0.05 -4.99 118.95 120.81 1fwf s ARG 77 Ca -0.07 -0.27 -0.10 0.00 -0.47 0.00 0.00 55.73 54.82 1fwf s ARG 77 Cb -0.13 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1fwf s ARG 77 CO 0.03 -0.48 0.14 -2.00 -1.08 0.00 0.00 175.30 171.91 1fwf s GLU 78 N -3.02 4.08 0.21 3.89 2.12 -1.26 -0.15 118.70 124.57 1fwf s GLU 78 Ca -0.01 -0.19 0.11 0.00 0.36 0.00 0.00 54.97 55.23 1fwf s GLU 78 Cb -0.01 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 1fwf s GLU 78 CO -0.07 0.37 -0.22 0.14 -0.54 0.00 0.00 175.26 174.94 1fwf s VAL 79 N 0.16 2.26 -0.15 3.70 -7.23 0.10 -4.94 120.40 114.30 1fwf s VAL 79 Ca 0.09 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1fwf s VAL 79 Cb -0.11 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1fwf s VAL 79 CO -0.01 -0.24 0.02 -0.70 -0.31 0.00 0.00 175.10 173.86 1fwf s GLU 80 N -2.94 3.62 0.11 4.82 2.12 -1.26 -1.14 118.70 124.04 1fwf s GLU 80 Ca 0.22 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1fwf s GLU 80 Cb -0.06 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1fwf s GLU 80 CO 0.10 0.40 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.64 1fwf s LEU 81 N -0.02 3.12 -0.02 2.70 1.02 0.13 -1.21 118.68 124.41 1fwf s LEU 81 Ca 0.04 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.86 1fwf s LEU 81 Cb -0.13 -1.89 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 1fwf s LEU 81 CO 0.02 0.17 -0.13 0.54 0.02 0.00 0.00 176.35 176.96 1fwf s VAL 82 N -1.30 1.03 0.42 -1.59 0.11 0.28 -1.24 120.40 118.12 1fwf s VAL 82 Ca 0.23 -0.54 -0.25 0.00 -2.93 0.00 0.00 61.98 58.49 1fwf s VAL 82 Cb -0.11 -0.88 -0.08 0.00 -1.53 0.00 0.00 36.38 33.78 1fwf s VAL 82 CO 0.15 0.30 1.25 0.00 -3.33 0.00 0.00 175.10 173.47 1fwf s ALA 83 N -0.15 3.17 0.70 1.54 0.00 -0.28 -1.29 121.76 125.45 1fwf s ALA 83 Ca 0.02 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 1fwf s ALA 83 Cb -0.07 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1fwf s ALA 83 CO 0.00 -0.75 1.16 -0.06 0.00 0.00 0.00 175.76 176.11 1fwf s PHE 84 N -1.34 2.32 0.00 0.00 0.08 -0.09 -4.89 117.98 114.07 1fwf s PHE 84 Ca 0.58 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.22 1fwf s PHE 84 Cb -0.35 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 1fwf s PHE 84 CO 0.44 -2.16 0.00 0.00 -0.10 0.00 0.00 175.22 173.40 1fwf n ALA 85 N -2.59 0.00 -0.71 5.36 0.00 -1.26 -4.83 120.51 116.47 1fwf n ALA 85 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1fwf n ALA 85 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1fwf n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fwf n GLY 86 N 4.55 2.56 0.09 0.00 0.00 -1.26 -1.49 105.19 109.64 1fwf n GLY 86 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1fwf n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwf n HIS 87 N 13.42 0.00 -3.66 1.61 8.25 -1.26 -4.93 115.22 128.64 1fwf n HIS 87 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1fwf n HIS 87 Cb 0.00 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 30.91 1fwf n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1fwf n ARG 88 N -1.12 -4.19 -4.50 -0.41 1.74 -0.55 -4.75 116.66 102.87 1fwf n ARG 88 Ca 0.11 0.62 -0.32 0.00 -0.77 0.00 0.00 57.85 57.49 1fwf n ARG 88 Cb 0.31 -5.09 -0.16 0.00 -1.02 0.00 0.00 32.46 26.50 1fwf n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fwf s ALA 89 N -3.62 2.15 -0.23 7.54 0.00 -1.26 -0.38 121.76 125.96 1fwf s ALA 89 Ca 0.10 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1fwf s ALA 89 Cb -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1fwf s ALA 89 CO 0.81 -0.12 0.06 0.08 0.00 0.00 0.00 175.76 176.60 1fwf s VAL 90 N 0.97 4.43 -0.03 0.00 1.01 0.81 -4.90 120.40 122.69 1fwf s VAL 90 Ca -0.04 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1fwf s VAL 90 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1fwf s VAL 90 CO -0.04 0.37 -0.10 -0.36 0.00 0.00 0.00 175.10 174.97 1fwf s PHE 91 N 1.24 1.02 0.00 5.22 0.40 -1.26 -0.41 117.98 124.19 1fwf s PHE 91 Ca 0.05 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1fwf s PHE 91 Cb -0.14 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1fwf s PHE 91 CO 0.03 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.25 1fwf n GLY 92 N 3.33 0.31 7.00 4.36 0.00 -1.26 -4.99 105.19 113.94 1fwf n GLY 92 Ca -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1fwf n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fwf n PHE 93 N 0.00 0.00 0.71 1.61 3.01 -1.26 -0.98 117.46 120.55 1fwf n PHE 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1fwf n PHE 93 Cb 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.72 1fwf n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1fwf n ARG 94 N 14.00 2.02 -2.15 -1.08 1.74 -1.26 -4.93 116.66 125.00 1fwf n ARG 94 Ca 0.00 -1.56 -0.10 0.00 -0.77 0.00 0.00 57.85 55.42 1fwf n ARG 94 Cb 0.00 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1fwf n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwf n GLY 95 N 1.23 0.01 0.09 -0.13 0.00 -0.15 -4.96 105.19 101.28 1fwf n GLY 95 Ca 0.16 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1fwf n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fwf h GLU 96 N 0.00 0.10 0.00 1.61 5.08 -1.92 -3.42 114.58 116.02 1fwf h GLU 96 Ca -0.24 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1fwf h GLU 96 Cb 1.15 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1fwf h GLU 96 CO 0.28 0.91 -0.73 1.55 -1.00 0.00 0.00 179.01 180.02 1fwf n VAL 97 N -3.31 1.38 -3.77 3.13 3.14 -1.26 -5.03 118.33 112.62 1fwf n VAL 97 Ca -0.11 0.21 -0.23 0.00 -2.96 0.00 0.00 64.34 61.26 1fwf n VAL 97 Cb 1.01 -2.13 0.02 0.00 -1.06 0.00 0.00 33.84 31.67 1fwf n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1fwf n MET 98 N -4.16 -4.51 -3.59 1.45 2.81 -0.41 -4.89 117.12 103.82 1fwf n MET 98 Ca -0.10 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1fwf n MET 98 Cb 0.38 -5.02 0.00 0.00 -0.71 0.00 0.00 33.22 27.87 1fwf n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fwf n GLY 99 N -1.68 -1.42 3.76 3.03 0.00 0.45 -4.94 105.19 104.39 1fwf n GLY 99 Ca -0.29 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1fwf n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwf s PRO 100 N -1.27 3.17 0.00 1.61 0.04 -1.26 -0.14 135.00 137.15 1fwf s PRO 100 Ca 0.00 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1fwf s PRO 100 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1fwf s PRO 100 CO 0.00 -1.04 0.00 -0.11 0.04 0.00 0.00 177.00 175.89