#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhn n PRO 11 N 0.00 0.10 -3.64 0.00 -0.04 -1.26 -4.70 135.00 125.46 1fhn n PRO 11 Ca 0.00 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1fhn n PRO 11 Cb 0.00 -1.62 -0.18 0.00 -0.04 0.00 0.00 33.50 31.67 1fhn n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fhn s LEU 12 N -3.58 0.24 0.09 1.53 2.96 -1.26 -0.71 118.68 117.95 1fhn s LEU 12 Ca 0.13 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1fhn s LEU 12 Cb 0.16 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 1fhn s LEU 12 CO 0.56 -0.30 -0.12 0.00 -1.32 0.00 0.00 176.35 175.17 1fhn s MET 13 N 2.15 0.85 -0.02 1.98 0.23 -0.17 -4.46 119.30 119.87 1fhn s MET 13 Ca 0.04 -1.08 0.04 0.00 -1.03 0.00 0.00 55.69 53.66 1fhn s MET 13 Cb -0.14 -0.70 -0.01 0.00 -1.53 0.00 0.00 34.83 32.45 1fhn s MET 13 CO -0.06 0.14 -0.15 0.08 -2.03 0.00 0.00 175.02 173.00 1fhn s VAL 14 N -1.88 1.19 -0.05 5.16 1.01 -0.79 -0.72 120.40 124.30 1fhn s VAL 14 Ca 0.02 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1fhn s VAL 14 Cb -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1fhn s VAL 14 CO 0.02 0.34 -0.12 -0.75 0.00 0.00 0.00 175.10 174.58 1fhn s LYS 15 N -0.28 1.51 -0.05 2.72 2.47 0.12 -1.01 119.74 125.22 1fhn s LYS 15 Ca 0.04 -0.42 0.03 0.00 -1.56 0.00 0.00 55.97 54.06 1fhn s LYS 15 Cb -0.07 -1.30 0.01 0.00 -1.46 0.00 0.00 37.83 35.02 1fhn s LYS 15 CO -0.00 0.10 -0.12 0.08 0.16 0.00 0.00 175.35 175.56 1fhn s VAL 16 N 0.40 1.12 0.11 4.02 1.01 0.62 -1.27 120.40 126.42 1fhn s VAL 16 Ca -0.09 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1fhn s VAL 16 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1fhn s VAL 16 CO 0.02 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.48 1fhn s LEU 17 N 0.47 2.29 -0.33 3.92 1.43 -0.29 -1.41 118.68 124.76 1fhn s LEU 17 Ca -0.11 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 1fhn s LEU 17 Cb -0.14 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1fhn s LEU 17 CO 0.03 0.11 0.16 -0.62 0.23 0.00 0.00 176.35 176.25 1fhn s ASP 18 N -1.90 5.53 0.00 2.29 -1.08 0.58 -0.41 116.67 121.68 1fhn s ASP 18 Ca 0.09 -0.76 0.29 0.00 -0.52 0.00 0.00 52.55 51.65 1fhn s ASP 18 Cb -0.10 -1.98 1.23 0.00 -1.46 0.00 0.00 42.92 40.61 1fhn s ASP 18 CO 0.05 -0.27 1.88 0.00 0.52 0.00 0.00 175.17 177.35 1fhn n ALA 19 N 4.96 2.69 0.06 3.66 0.00 -0.31 -1.41 120.51 130.15 1fhn n ALA 19 Ca -0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 1fhn n ALA 19 Cb 0.48 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1fhn n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fhn h VAL 20 N 0.26 0.93 0.00 0.00 2.07 -1.94 -3.39 116.25 114.18 1fhn h VAL 20 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1fhn h VAL 20 Cb 0.38 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1fhn h VAL 20 CO 0.00 0.84 -1.16 0.54 0.02 0.00 0.00 177.57 177.81 1fhn n ARG 21 N -3.63 0.16 -2.85 1.57 1.74 -1.23 -5.00 116.66 107.42 1fhn n ARG 21 Ca -0.25 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.69 1fhn n ARG 21 Cb 1.05 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 31.04 1fhn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fhn n GLY 22 N 1.46 0.03 3.37 -0.13 0.00 -0.50 -5.03 105.19 104.38 1fhn n GLY 22 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1fhn n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fhn s SER 23 N -3.63 -0.07 0.62 1.61 1.04 -1.13 -5.01 113.70 107.12 1fhn s SER 23 Ca 0.07 -0.64 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 1fhn s SER 23 Cb -0.03 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1fhn s SER 23 CO 0.40 -0.91 1.28 -2.84 0.98 0.00 0.00 173.24 172.15 1fhn s PRO 24 N -3.90 2.76 -0.42 4.02 0.02 -1.26 -0.31 135.00 135.91 1fhn s PRO 24 Ca 0.11 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 1fhn s PRO 24 Cb 0.02 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.63 1fhn s PRO 24 CO -0.04 -1.43 0.66 0.00 -0.33 0.00 0.00 177.00 175.86 1fhn s ALA 25 N -1.43 3.36 0.01 -1.55 0.00 -0.50 -4.60 121.76 117.05 1fhn s ALA 25 Ca 0.80 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 1fhn s ALA 25 Cb -0.36 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1fhn s ALA 25 CO 0.39 -1.71 0.29 0.42 0.00 0.00 0.00 175.76 175.15 1fhn s ILE 26 N 2.86 5.27 -1.52 0.00 1.01 -1.26 -4.33 121.20 123.23 1fhn s ILE 26 Ca 0.24 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 1fhn s ILE 26 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1fhn s ILE 26 CO 0.19 0.39 0.25 0.59 0.00 0.00 0.00 174.94 176.36 1fhn n ASN 27 N 1.22 -5.56 -4.70 3.58 4.13 -0.57 -4.95 115.26 108.40 1fhn n ASN 27 Ca -0.12 -0.13 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 1fhn n ASN 27 Cb 0.53 -4.51 -0.03 0.00 -1.54 0.00 0.00 39.78 34.23 1fhn n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fhn s VAL 28 N -3.02 4.88 0.24 2.41 1.01 -1.26 -4.73 120.40 119.93 1fhn s VAL 28 Ca 0.13 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1fhn s VAL 28 Cb -0.06 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1fhn s VAL 28 CO 0.16 0.13 1.15 0.00 0.00 0.00 0.00 175.10 176.54 1fhn s ALA 29 N 1.30 3.42 -0.07 5.51 0.00 -1.26 -1.69 121.76 128.97 1fhn s ALA 29 Ca 0.47 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1fhn s ALA 29 Cb -0.19 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1fhn s ALA 29 CO 0.23 -0.28 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 1fhn s VAL 30 N -0.69 1.19 -0.07 0.00 1.01 0.83 -1.37 120.40 121.31 1fhn s VAL 30 Ca 0.48 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1fhn s VAL 30 Cb -0.33 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1fhn s VAL 30 CO 0.40 0.37 -0.24 -1.00 0.00 0.00 0.00 175.10 174.63 1fhn s HIS 31 N 0.66 2.43 -0.07 5.22 3.76 -0.34 -1.28 115.29 125.66 1fhn s HIS 31 Ca -0.15 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 53.99 1fhn s HIS 31 Cb -0.16 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 1fhn s HIS 31 CO 0.04 -0.27 -0.15 0.08 -0.85 0.00 0.00 174.74 173.59 1fhn s VAL 32 N -0.01 2.97 0.21 -0.90 1.01 0.12 -0.07 120.40 123.73 1fhn s VAL 32 Ca -0.08 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1fhn s VAL 32 Cb -0.15 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1fhn s VAL 32 CO 0.05 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.19 1fhn s PHE 33 N -0.36 1.88 -0.03 5.22 0.40 -0.16 0.10 117.98 125.03 1fhn s PHE 33 Ca 0.03 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1fhn s PHE 33 Cb -0.12 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1fhn s PHE 33 CO 0.02 0.44 -0.13 0.50 0.70 0.00 0.00 175.22 176.75 1fhn s ARG 34 N -3.40 1.35 -0.00 0.44 3.52 0.25 -1.14 118.95 119.97 1fhn s ARG 34 Ca 0.23 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1fhn s ARG 34 Cb -0.03 -1.22 -0.04 0.00 -1.56 0.00 0.00 34.95 32.10 1fhn s ARG 34 CO 0.09 0.19 1.23 0.21 -0.81 0.00 0.00 175.30 176.20 1fhn s LYS 35 N 0.09 4.37 0.64 5.12 2.20 -0.10 -0.71 119.74 131.35 1fhn s LYS 35 Ca -0.03 1.75 0.01 0.00 -0.36 0.00 0.00 55.97 57.34 1fhn s LYS 35 Cb -0.10 -3.48 0.08 0.00 -1.51 0.00 0.00 37.83 32.83 1fhn s LYS 35 CO 0.01 -0.39 0.88 0.00 -0.36 0.00 0.00 175.35 175.50 1fhn s ALA 36 N 1.78 3.83 0.26 3.13 0.00 0.14 -4.68 121.76 126.22 1fhn s ALA 36 Ca 0.58 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1fhn s ALA 36 Cb -0.27 -2.03 0.47 0.00 0.00 0.00 0.00 23.12 21.28 1fhn s ALA 36 CO 0.25 -1.10 1.60 0.00 0.00 0.00 0.00 175.76 176.51 1fhn h ALA 37 N -0.22 0.75 -0.13 0.00 0.00 -1.94 0.09 119.26 117.80 1fhn h ALA 37 Ca -0.39 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fhn h ALA 37 Cb 1.28 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1fhn h ALA 37 CO 0.46 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 178.87 1fhn n ASP 38 N -5.49 1.05 -0.77 0.00 5.68 -1.26 -4.85 116.55 110.92 1fhn n ASP 38 Ca 0.15 -2.05 -0.09 0.00 -0.50 0.00 0.00 54.79 52.30 1fhn n ASP 38 Cb 0.51 -0.22 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 1fhn n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1fhn n ASP 39 N -0.04 -4.03 -4.89 -1.12 -0.08 0.02 -5.01 116.55 101.40 1fhn n ASP 39 Ca 0.05 0.20 -0.32 0.00 -1.51 0.00 0.00 54.79 53.21 1fhn n ASP 39 Cb 0.20 -2.47 -0.05 0.00 2.34 0.00 0.00 41.12 41.14 1fhn n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1fhn s THR 40 N -2.37 5.26 -0.49 5.18 2.01 -1.26 -4.85 115.64 119.13 1fhn s THR 40 Ca 0.00 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 1fhn s THR 40 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1fhn s THR 40 CO 0.00 0.23 0.94 0.26 -0.69 0.00 0.00 174.62 175.36 1fhn s TRP 41 N -1.39 2.87 0.04 4.92 0.52 -1.26 0.27 118.94 124.90 1fhn s TRP 41 Ca 0.30 0.26 -0.14 0.00 0.02 0.00 0.00 56.10 56.55 1fhn s TRP 41 Cb -0.13 -4.02 -0.06 0.00 -1.15 0.00 0.00 33.47 28.12 1fhn s TRP 41 CO 0.22 -1.19 0.43 -1.21 0.02 0.00 0.00 176.95 175.22 1fhn s GLU 42 N 3.85 3.90 0.28 4.98 2.02 0.11 -4.85 118.70 128.99 1fhn s GLU 42 Ca 0.35 0.38 -0.30 0.00 0.02 0.00 0.00 54.97 55.42 1fhn s GLU 42 Cb -0.11 -3.14 -0.11 0.00 0.10 0.00 0.00 34.13 30.87 1fhn s GLU 42 CO 0.24 0.64 1.54 -2.14 0.02 0.00 0.00 175.26 175.56 1fhn s PRO 43 N -1.36 4.17 -0.03 0.39 0.02 -1.26 -0.59 135.00 136.35 1fhn s PRO 43 Ca 0.27 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1fhn s PRO 43 Cb -0.16 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1fhn s PRO 43 CO 0.15 -0.56 -0.02 0.34 -0.33 0.00 0.00 177.00 176.58 1fhn n PHE 44 N 2.19 0.00 -3.51 6.54 7.35 0.11 -4.78 117.46 125.37 1fhn n PHE 44 Ca 0.08 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.68 1fhn n PHE 44 Cb 0.38 -0.10 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 1fhn n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fhn s ALA 45 N -2.05 -1.84 0.16 3.13 0.00 -0.96 -4.99 121.76 115.20 1fhn s ALA 45 Ca -0.03 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 1fhn s ALA 45 Cb 0.01 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1fhn s ALA 45 CO 0.06 -0.66 0.42 -1.54 0.00 0.00 0.00 175.76 174.05 1fhn s SER 46 N -2.37 -0.19 -0.04 0.00 1.04 -1.26 0.15 113.70 111.04 1fhn s SER 46 Ca 0.04 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.82 1fhn s SER 46 Cb -0.01 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.67 1fhn s SER 46 CO -0.08 -0.93 0.77 0.61 0.98 0.00 0.00 173.24 174.59 1fhn n GLY 47 N -0.26 0.28 3.11 7.32 0.00 -0.40 -5.00 105.19 110.24 1fhn n GLY 47 Ca -0.12 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1fhn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fhn s LYS 48 N -2.00 1.08 0.50 1.61 1.02 -1.26 -0.12 119.74 120.57 1fhn s LYS 48 Ca 0.18 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 1fhn s LYS 48 Cb -0.00 -1.05 -0.07 0.00 -0.52 0.00 0.00 37.83 36.19 1fhn s LYS 48 CO -0.01 0.28 1.14 0.95 -0.92 0.00 0.00 175.35 176.80 1fhn s THR 49 N -0.43 3.14 0.66 2.17 -4.23 -0.68 -4.79 115.64 111.49 1fhn s THR 49 Ca 0.05 0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 61.22 1fhn s THR 49 Cb -0.06 -3.35 0.15 0.00 1.34 0.00 0.00 72.50 70.58 1fhn s THR 49 CO -0.00 -0.09 0.88 -1.54 -0.54 0.00 0.00 174.62 173.33 1fhn n SER 50 N -0.92 -0.01 0.33 3.99 3.41 0.04 -1.51 113.62 118.95 1fhn n SER 50 Ca 0.10 -1.30 0.22 0.00 -0.26 0.00 0.00 58.87 57.62 1fhn n SER 50 Cb 0.50 -0.67 1.17 0.00 -0.26 0.00 0.00 64.21 64.94 1fhn n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1fhn h GLU 51 N 0.00 0.00 -0.33 4.33 5.08 -1.94 0.86 114.58 122.59 1fhn h GLU 51 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1fhn h GLU 51 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1fhn h GLU 51 CO 0.20 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.08 1fhn n SER 52 N -3.16 2.43 -0.03 1.42 3.41 -1.26 -4.80 113.62 111.64 1fhn n SER 52 Ca -0.03 -1.88 -0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1fhn n SER 52 Cb 0.08 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1fhn n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fhn n GLY 53 N 1.27 0.47 3.69 5.00 0.00 0.30 -4.81 105.19 111.11 1fhn n GLY 53 Ca 0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1fhn n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fhn s GLU 54 N -0.59 2.53 -0.12 1.61 2.02 -1.26 -0.27 118.70 122.62 1fhn s GLU 54 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 1fhn s GLU 54 Cb 0.00 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.77 1fhn s GLU 54 CO 0.00 0.51 -0.01 -1.17 0.02 0.00 0.00 175.26 174.61 1fhn s LEU 55 N -2.55 0.96 0.00 1.80 2.96 -0.18 -0.78 118.68 120.90 1fhn s LEU 55 Ca 0.27 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1fhn s LEU 55 Cb -0.11 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 1fhn s LEU 55 CO 0.19 -0.20 0.06 1.41 -1.32 0.00 0.00 176.35 176.49 1fhn n HIS 56 N 5.05 0.70 -1.12 5.38 8.25 -1.26 -1.89 115.22 130.32 1fhn n HIS 56 Ca -0.09 -2.41 -0.04 0.00 -0.26 0.00 0.00 57.72 54.91 1fhn n HIS 56 Cb 0.49 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 1fhn n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fhn n GLY 57 N -0.68 0.69 0.14 -1.41 0.00 -1.26 -4.88 105.19 97.79 1fhn n GLY 57 Ca -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 1fhn n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fhn h LEU 58 N 0.00 0.13 -8.07 0.99 3.38 -1.88 -3.48 115.31 106.37 1fhn h LEU 58 Ca -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1fhn h LEU 58 Cb 0.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1fhn h LEU 58 CO 0.12 0.78 0.17 0.28 0.09 0.00 0.00 178.44 179.88 1fhn s THR 59 N -3.50 0.00 0.33 0.22 -1.32 -1.26 -4.82 115.64 105.28 1fhn s THR 59 Ca -0.02 -1.10 0.09 0.00 -1.21 0.00 0.00 61.69 59.45 1fhn s THR 59 Cb 0.12 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1fhn s THR 59 CO 0.79 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.60 1fhn s THR 60 N -3.15 2.64 0.27 5.08 -4.23 -1.26 -4.56 115.64 110.43 1fhn s THR 60 Ca 0.16 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1fhn s THR 60 Cb -0.05 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.25 1fhn s THR 60 CO 0.10 -0.23 1.87 -0.08 -0.54 0.00 0.00 174.62 175.74 1fhn h GLU 61 N 1.88 1.02 -0.69 3.99 4.81 -1.99 -1.75 114.58 121.84 1fhn h GLU 61 Ca -0.43 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1fhn h GLU 61 Cb 1.25 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1fhn h GLU 61 CO 0.66 0.80 0.46 1.49 -0.73 0.00 0.00 179.01 181.69 1fhn h GLU 62 N 1.01 0.91 0.00 1.92 4.81 -2.04 -3.02 114.58 118.17 1fhn h GLU 62 Ca 0.24 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1fhn h GLU 62 Cb 0.12 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1fhn h GLU 62 CO -0.03 0.60 -0.34 0.93 -0.73 0.00 0.00 179.01 179.44 1fhn h GLU 63 N 0.94 0.00 -4.52 1.92 5.08 -1.90 -3.40 114.58 112.70 1fhn h GLU 63 Ca 0.25 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.90 1fhn h GLU 63 Cb -0.11 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.04 1fhn h GLU 63 CO -0.06 0.34 2.32 0.34 -1.00 0.00 0.00 179.01 180.96 1fhn n PHE 64 N -3.22 3.96 -2.32 4.33 7.35 -0.68 -4.96 117.46 121.92 1fhn n PHE 64 Ca 0.02 -2.97 -0.25 0.00 -0.76 0.00 0.00 57.45 53.49 1fhn n PHE 64 Cb 0.64 -2.38 0.11 0.00 0.35 0.00 0.00 39.48 38.21 1fhn n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1fhn s VAL 65 N 2.55 2.19 0.38 -2.13 -7.23 -1.26 -4.95 120.40 109.95 1fhn s VAL 65 Ca 0.46 -0.36 -0.26 0.00 -1.81 0.00 0.00 61.98 60.01 1fhn s VAL 65 Cb 0.07 -2.83 -0.11 0.00 0.56 0.00 0.00 36.38 34.07 1fhn s VAL 65 CO -0.01 0.00 1.09 1.21 -0.31 0.00 0.00 175.10 177.08 1fhn n GLU 66 N -3.03 1.56 -3.79 4.82 0.00 -1.26 -4.81 120.64 114.13 1fhn n GLU 66 Ca 0.12 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.84 1fhn n GLU 66 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1fhn n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1fhn n GLY 67 N 1.07 -2.47 3.54 8.31 0.00 -1.01 -5.00 105.19 109.63 1fhn n GLY 67 Ca 0.08 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1fhn n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fhn s ILE 68 N -2.07 4.53 0.15 -0.61 1.01 -1.26 -0.52 121.20 122.43 1fhn s ILE 68 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1fhn s ILE 68 Cb 0.00 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1fhn s ILE 68 CO 0.00 0.40 -0.16 -0.31 0.00 0.00 0.00 174.94 174.87 1fhn s TYR 69 N 0.93 2.54 -0.15 3.97 1.51 0.37 -0.93 117.35 125.59 1fhn s TYR 69 Ca 0.04 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1fhn s TYR 69 Cb -0.14 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1fhn s TYR 69 CO 0.03 0.45 -0.17 0.21 -1.11 0.00 0.00 175.55 174.95 1fhn s LYS 70 N -2.45 2.58 -0.28 -0.62 2.20 -0.29 -1.18 119.74 119.69 1fhn s LYS 70 Ca 0.21 -0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 55.06 1fhn s LYS 70 Cb -0.10 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1fhn s LYS 70 CO 0.12 -0.17 0.11 0.08 -0.36 0.00 0.00 175.35 175.13 1fhn s VAL 71 N 1.26 4.50 -0.20 4.02 1.01 0.51 -0.98 120.40 130.53 1fhn s VAL 71 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1fhn s VAL 71 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1fhn s VAL 71 CO -0.09 0.21 -0.02 -0.70 0.00 0.00 0.00 175.10 174.50 1fhn s GLU 72 N 1.62 3.54 -0.21 2.72 2.12 0.90 -0.69 118.70 128.70 1fhn s GLU 72 Ca 0.05 -0.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.77 1fhn s GLU 72 Cb -0.16 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 1fhn s GLU 72 CO 0.05 -0.01 0.01 0.42 -0.54 0.00 0.00 175.26 175.19 1fhn s ILE 73 N 1.02 3.94 -1.23 -3.70 1.01 0.60 -1.20 121.20 121.64 1fhn s ILE 73 Ca 0.01 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 1fhn s ILE 73 Cb -0.14 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.67 1fhn s ILE 73 CO 0.01 0.41 1.51 -1.81 0.00 0.00 0.00 174.94 175.07 1fhn s ASP 74 N 1.17 7.00 0.25 3.58 1.01 -0.47 -1.45 116.67 127.76 1fhn s ASP 74 Ca 0.03 -2.83 0.09 0.00 0.71 0.00 0.00 52.55 50.56 1fhn s ASP 74 Cb -0.14 -2.45 0.28 0.00 1.01 0.00 0.00 42.92 41.61 1fhn s ASP 74 CO 0.01 -0.87 1.57 0.71 0.21 0.00 0.00 175.17 176.80 1fhn h THR 75 N 4.94 1.47 -0.33 -1.27 1.35 -1.88 -3.28 112.91 113.91 1fhn h THR 75 Ca 0.35 -2.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.92 1fhn h THR 75 Cb 0.87 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1fhn h THR 75 CO 1.30 0.65 0.08 0.50 -0.25 0.00 0.00 175.52 177.80 1fhn h LYS 76 N 0.02 0.52 -0.89 4.72 3.64 -1.74 -2.16 116.57 120.68 1fhn h LYS 76 Ca -0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1fhn h LYS 76 Cb 1.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1fhn h LYS 76 CO 0.09 0.58 0.57 0.77 -2.27 0.00 0.00 179.45 179.19 1fhn h SER 77 N 0.38 1.04 0.11 4.20 0.02 -1.87 -0.84 113.55 116.58 1fhn h SER 77 Ca 0.10 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1fhn h SER 77 Cb 0.29 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1fhn h SER 77 CO 0.00 0.77 -0.16 0.22 -1.14 0.00 0.00 176.83 176.52 1fhn h TYR 78 N 1.21 -0.41 -0.26 3.45 3.20 -1.53 -2.15 116.97 120.48 1fhn h TYR 78 Ca 0.32 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1fhn h TYR 78 Cb -0.11 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1fhn h TYR 78 CO 0.00 -0.24 -0.39 -1.49 -1.64 0.00 0.00 178.16 174.41 1fhn h TRP 79 N -0.32 0.72 -0.31 -3.82 4.06 -1.14 -3.13 115.95 112.01 1fhn h TRP 79 Ca 0.02 -0.21 -0.09 0.00 2.06 0.00 0.00 58.89 60.67 1fhn h TRP 79 Cb 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 1fhn h TRP 79 CO -0.16 0.91 -0.20 0.87 -3.56 0.00 0.00 178.44 176.30 1fhn h LYS 80 N 0.50 0.58 0.00 0.49 1.57 -0.94 -0.73 116.57 118.05 1fhn h LYS 80 Ca 0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1fhn h LYS 80 Cb 0.90 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1fhn h LYS 80 CO 0.08 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.70 1fhn h ALA 81 N 1.27 1.00 -0.02 3.86 0.00 -1.35 -1.49 119.26 122.53 1fhn h ALA 81 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fhn h ALA 81 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1fhn h ALA 81 CO 0.04 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.51 1fhn n LEU 82 N -2.80 2.07 0.00 0.00 4.77 -0.60 -4.95 117.00 115.49 1fhn n LEU 82 Ca -0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1fhn n LEU 82 Cb 0.20 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1fhn n LEU 82 CO 0.22 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1fhn n GLY 83 N 1.28 0.86 3.39 -0.72 0.00 -0.56 -5.07 105.19 104.38 1fhn n GLY 83 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1fhn n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fhn s ILE 84 N -2.04 2.77 -0.56 -0.61 1.01 -0.38 -5.00 121.20 116.39 1fhn s ILE 84 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 1fhn s ILE 84 Cb 0.00 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.47 1fhn s ILE 84 CO 0.00 0.57 0.68 -0.44 0.00 0.00 0.00 174.94 175.75 1fhn s SER 85 N -0.33 6.20 0.69 3.58 0.01 -1.26 -2.69 113.70 119.89 1fhn s SER 85 Ca 0.03 -1.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.01 1fhn s SER 85 Cb -0.13 -2.30 0.06 0.00 0.21 0.00 0.00 66.02 63.86 1fhn s SER 85 CO 0.02 -1.03 1.00 -2.16 0.41 0.00 0.00 173.24 171.48 1fhn s PRO 86 N 2.70 2.25 -0.07 12.44 0.04 -1.26 -5.02 135.00 146.07 1fhn s PRO 86 Ca 0.13 -0.26 -0.27 0.00 0.04 0.00 0.00 61.00 60.64 1fhn s PRO 86 Cb -0.22 -2.19 -0.23 0.00 0.04 0.00 0.00 34.50 31.90 1fhn s PRO 86 CO 0.09 -1.19 1.03 0.35 0.04 0.00 0.00 177.00 177.31 1fhn h PHE 87 N -0.55 0.05 -3.75 0.56 3.57 -1.59 -3.47 116.94 111.75 1fhn h PHE 87 Ca -0.44 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.54 1fhn h PHE 87 Cb 1.31 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1fhn h PHE 87 CO 0.34 0.78 0.13 -1.01 -2.23 0.00 0.00 178.31 176.32 1fhn s HIS 88 N -3.25 3.41 0.16 0.41 3.76 -1.26 -4.98 115.29 113.54 1fhn s HIS 88 Ca -0.17 1.17 -0.00 0.00 -0.15 0.00 0.00 55.06 55.91 1fhn s HIS 88 Cb -0.00 -2.52 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 1fhn s HIS 88 CO 0.69 -0.02 1.38 0.93 -0.85 0.00 0.00 174.74 176.87 1fhn h GLU 89 N 1.75 0.30 -1.88 1.40 4.39 -1.98 -3.38 114.58 115.19 1fhn h GLU 89 Ca -0.48 -0.30 0.26 0.00 0.34 0.00 0.00 59.36 59.18 1fhn h GLU 89 Cb 1.18 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 1fhn h GLU 89 CO 0.64 0.99 0.67 -3.38 -1.16 0.00 0.00 179.01 176.77 1fhn s HIS 90 N -3.34 -0.08 -0.13 4.33 -3.43 -1.26 -3.41 115.29 107.95 1fhn s HIS 90 Ca -0.04 -0.12 -0.04 0.00 -0.80 0.00 0.00 55.06 54.05 1fhn s HIS 90 Cb 0.10 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.81 1fhn s HIS 90 CO 0.84 -0.54 0.01 0.00 -2.00 0.00 0.00 174.74 173.05 1fhn s ALA 91 N -2.82 3.26 0.06 -1.38 0.00 -0.53 -4.89 121.76 115.46 1fhn s ALA 91 Ca 0.13 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.40 1fhn s ALA 91 Cb 0.02 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1fhn s ALA 91 CO -0.01 0.36 -0.24 -1.21 0.00 0.00 0.00 175.76 174.66 1fhn s GLU 92 N -0.17 1.59 -0.14 0.00 2.02 -1.26 -0.29 118.70 120.46 1fhn s GLU 92 Ca 0.05 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1fhn s GLU 92 Cb -0.12 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.34 1fhn s GLU 92 CO 0.02 0.45 -0.12 0.08 0.02 0.00 0.00 175.26 175.71 1fhn s VAL 93 N -0.84 1.38 -0.10 2.63 1.01 0.13 -4.97 120.40 119.65 1fhn s VAL 93 Ca 0.10 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1fhn s VAL 93 Cb -0.10 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1fhn s VAL 93 CO 0.02 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 1fhn s VAL 94 N 1.56 2.30 0.05 2.92 1.01 -1.26 -0.36 120.40 126.63 1fhn s VAL 94 Ca 0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1fhn s VAL 94 Cb -0.13 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 1fhn s VAL 94 CO -0.10 0.56 0.53 0.72 0.00 0.00 0.00 175.10 176.80 1fhn s PHE 95 N 0.22 -0.43 0.04 5.22 -0.71 -0.33 -4.99 117.98 117.00 1fhn s PHE 95 Ca -0.14 0.47 -0.27 0.00 -1.04 0.00 0.00 56.93 55.95 1fhn s PHE 95 Cb -0.17 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1fhn s PHE 95 CO 0.07 -0.66 0.85 0.99 -1.34 0.00 0.00 175.22 175.13 1fhn s THR 96 N -2.55 4.72 0.10 -4.49 2.01 -1.26 -0.48 115.64 113.70 1fhn s THR 96 Ca -0.05 1.81 0.10 0.00 0.31 0.00 0.00 61.69 63.86 1fhn s THR 96 Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1fhn s THR 96 CO -0.02 0.30 -0.26 0.00 -0.69 0.00 0.00 174.62 173.95 1fhn s ALA 97 N 0.23 2.36 -1.81 7.40 0.00 0.32 -4.81 121.76 125.44 1fhn s ALA 97 Ca 0.43 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1fhn s ALA 97 Cb -0.21 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1fhn s ALA 97 CO 0.25 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.64 1fhn n ASN 98 N 1.16 -5.83 -0.03 0.00 3.02 -1.26 -2.41 115.26 109.90 1fhn n ASN 98 Ca -0.18 0.04 0.14 0.00 -0.03 0.00 0.00 54.58 54.56 1fhn n ASN 98 Cb 0.53 -4.88 0.58 0.00 -0.61 0.00 0.00 39.78 35.39 1fhn n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1fhn n ASP 99 N -1.94 0.23 -0.45 6.41 3.85 -1.26 -2.92 116.55 120.47 1fhn n ASP 99 Ca -0.24 -0.07 0.07 0.00 -0.71 0.00 0.00 54.79 53.84 1fhn n ASP 99 Cb 0.69 -0.21 0.18 0.00 -1.35 0.00 0.00 41.12 40.43 1fhn n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1fhn n SER 100 N -1.30 1.89 0.00 -1.12 7.64 -1.26 -5.08 113.62 114.39 1fhn n SER 100 Ca 0.10 -3.61 0.00 0.00 1.01 0.00 0.00 58.87 56.37 1fhn n SER 100 Cb 0.30 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1fhn n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fhn n GLY 101 N -1.19 2.16 3.77 0.23 0.00 -1.15 -5.03 105.19 103.99 1fhn n GLY 101 Ca 0.18 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1fhn n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fhn s PRO 102 N -2.38 4.19 0.17 1.61 0.01 -1.26 -4.30 135.00 133.04 1fhn s PRO 102 Ca 0.00 2.45 -0.00 0.00 0.01 0.00 0.00 61.00 63.46 1fhn s PRO 102 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 34.50 31.44 1fhn s PRO 102 CO 0.00 -0.45 0.06 1.03 0.01 0.00 0.00 177.00 177.64 1fhn s ARG 103 N -1.47 1.07 -0.12 5.54 1.81 -1.26 -4.90 118.95 119.62 1fhn s ARG 103 Ca 0.55 -1.53 -0.03 0.00 -1.72 0.00 0.00 55.73 52.99 1fhn s ARG 103 Cb -0.44 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1fhn s ARG 103 CO 0.55 -0.25 0.00 1.03 -0.68 0.00 0.00 175.30 175.95 1fhn s ARG 104 N -4.03 3.33 -0.10 3.54 0.52 -0.53 -4.87 118.95 116.82 1fhn s ARG 104 Ca 0.28 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1fhn s ARG 104 Cb 0.07 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.65 1fhn s ARG 104 CO 0.05 0.51 -0.21 0.71 0.02 0.00 0.00 175.30 176.39 1fhn s TYR 105 N -0.35 2.32 -0.21 -0.53 1.51 0.11 -1.30 117.35 118.89 1fhn s TYR 105 Ca 0.07 -0.98 -0.03 0.00 -1.01 0.00 0.00 57.07 55.12 1fhn s TYR 105 Cb -0.12 -1.58 -0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1fhn s TYR 105 CO 0.02 -0.42 -0.07 0.99 -1.11 0.00 0.00 175.55 174.95 1fhn s THR 106 N 0.52 3.14 -0.28 -0.71 2.01 0.04 -1.00 115.64 119.36 1fhn s THR 106 Ca -0.15 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1fhn s THR 106 Cb -0.17 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1fhn s THR 106 CO 0.06 0.45 0.10 -0.63 -0.69 0.00 0.00 174.62 173.90 1fhn s ILE 107 N 1.40 4.35 0.02 1.82 -1.09 0.10 -1.06 121.20 126.74 1fhn s ILE 107 Ca 0.05 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1fhn s ILE 107 Cb -0.14 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1fhn s ILE 107 CO -0.05 0.19 -0.04 0.00 -1.23 0.00 0.00 174.94 173.82 1fhn s ALA 108 N 1.59 3.15 -0.03 9.38 0.00 -0.60 -0.70 121.76 134.55 1fhn s ALA 108 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1fhn s ALA 108 Cb -0.16 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1fhn s ALA 108 CO 0.04 0.64 -0.06 0.00 0.00 0.00 0.00 175.76 176.38 1fhn s ALA 109 N -1.07 0.68 -0.26 0.00 0.00 -0.39 -1.55 121.76 119.15 1fhn s ALA 109 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1fhn s ALA 109 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1fhn s ALA 109 CO 0.10 0.05 0.05 -0.51 0.00 0.00 0.00 175.76 175.45 1fhn s LEU 110 N 0.55 3.50 -0.12 0.00 1.02 -0.05 -1.14 118.68 122.44 1fhn s LEU 110 Ca -0.07 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 1fhn s LEU 110 Cb -0.11 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 1fhn s LEU 110 CO 0.00 -0.10 0.02 -0.76 0.02 0.00 0.00 176.35 175.53 1fhn s LEU 111 N 1.53 3.67 0.20 1.79 1.43 0.45 -1.84 118.68 125.91 1fhn s LEU 111 Ca 0.04 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1fhn s LEU 111 Cb -0.16 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1fhn s LEU 111 CO 0.01 0.32 -0.03 -0.44 0.23 0.00 0.00 176.35 176.44 1fhn s SER 112 N -0.50 1.69 0.29 2.29 0.01 -0.12 -1.16 113.70 116.20 1fhn s SER 112 Ca 0.09 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.19 1fhn s SER 112 Cb -0.12 0.03 0.46 0.00 0.21 0.00 0.00 66.02 66.60 1fhn s SER 112 CO 0.02 -0.48 1.91 -0.65 0.41 0.00 0.00 173.24 174.46 1fhn h PRO 113 N 2.60 1.08 -0.23 12.44 0.11 -1.99 -3.07 132.00 142.93 1fhn h PRO 113 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1fhn h PRO 113 Cb 1.21 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1fhn h PRO 113 CO 0.64 0.71 0.00 0.66 -0.21 0.00 0.00 178.00 179.80 1fhn n TYR 114 N -4.47 0.60 -3.62 0.65 4.02 -1.26 -1.40 117.16 111.68 1fhn n TYR 114 Ca 0.13 -0.74 -0.16 0.00 -0.01 0.00 0.00 57.90 57.12 1fhn n TYR 114 Cb 0.16 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.22 1fhn n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1fhn s SER 115 N -1.68 -0.47 0.08 7.72 0.15 -1.16 -4.97 113.70 113.37 1fhn s SER 115 Ca 0.31 0.48 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 1fhn s SER 115 Cb 0.24 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 1fhn s SER 115 CO 0.09 -0.53 0.25 -0.72 1.20 0.00 0.00 173.24 173.54 1fhn s TYR 116 N -1.19 0.02 0.00 3.44 -0.85 -1.26 -0.94 117.35 116.57 1fhn s TYR 116 Ca -0.12 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.15 1fhn s TYR 116 Cb -0.02 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.33 1fhn s TYR 116 CO 0.07 -0.56 -0.22 -1.12 -1.52 0.00 0.00 175.55 172.20 1fhn s SER 117 N -2.63 2.64 0.04 -0.18 0.01 -0.77 -4.98 113.70 107.84 1fhn s SER 117 Ca 0.02 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 56.88 1fhn s SER 117 Cb 0.03 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1fhn s SER 117 CO -0.09 0.25 -0.14 0.28 0.41 0.00 0.00 173.24 173.94 1fhn s THR 118 N -0.62 1.12 0.02 1.44 -1.32 -1.26 -0.87 115.64 114.15 1fhn s THR 118 Ca 0.09 -1.05 0.02 0.00 -1.21 0.00 0.00 61.69 59.54 1fhn s THR 118 Cb -0.09 -1.03 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1fhn s THR 118 CO 0.00 -0.02 -0.06 -0.32 -2.21 0.00 0.00 174.62 172.00 1fhn s MET 119 N -1.23 0.48 -0.04 7.08 -2.45 -0.60 -5.00 119.30 117.55 1fhn s MET 119 Ca 0.01 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.09 1fhn s MET 119 Cb -0.08 -0.37 -0.01 0.00 1.25 0.00 0.00 34.83 35.61 1fhn s MET 119 CO 0.01 0.09 -0.23 0.00 1.05 0.00 0.00 175.02 175.94 1fhn s ALA 120 N -0.64 1.98 -0.16 4.11 0.00 -1.26 -1.56 121.76 124.22 1fhn s ALA 120 Ca -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1fhn s ALA 120 Cb -0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1fhn s ALA 120 CO 0.00 0.43 -0.07 0.08 0.00 0.00 0.00 175.76 176.20 1fhn s VAL 121 N -0.34 3.49 -0.14 0.00 1.01 -0.22 -4.98 120.40 119.23 1fhn s VAL 121 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1fhn s VAL 121 Cb -0.11 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1fhn s VAL 121 CO 0.01 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 1fhn s VAL 122 N 0.66 1.99 0.12 2.92 1.01 -1.26 -0.78 120.40 125.05 1fhn s VAL 122 Ca -0.04 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1fhn s VAL 122 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1fhn s VAL 122 CO 0.02 0.54 -0.22 0.42 0.00 0.00 0.00 175.10 175.86 1fhn s THR 123 N 0.89 1.88 -2.70 3.92 -4.23 -0.42 -4.99 115.64 109.99 1fhn s THR 123 Ca -0.06 -1.65 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1fhn s THR 123 Cb -0.15 -1.71 0.40 0.00 1.34 0.00 0.00 72.50 72.38 1fhn s THR 123 CO -0.03 -0.04 1.55 -3.20 -0.54 0.00 0.00 174.62 172.35