#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfd n ARG 2 N 0.00 -0.33 0.00 0.00 3.00 -1.26 -4.99 116.66 113.08 1dfd n ARG 2 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1dfd n ARG 2 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 32.46 29.59 1dfd n ARG 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1dfd n LYS 3 N -0.81 3.51 0.00 -0.14 3.00 -0.97 -4.89 118.16 117.87 1dfd n LYS 3 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1dfd n LYS 3 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1dfd n LYS 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1dfd n PHE 4 N 0.00 0.00 -2.29 5.64 -1.74 -1.26 -1.01 117.46 116.80 1dfd n PHE 4 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1dfd n PHE 4 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1dfd n PHE 4 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1dfd n TYR 5 N -0.18 0.00 -3.74 2.97 4.11 -0.95 -4.63 117.16 114.73 1dfd n TYR 5 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.89 1dfd n TYR 5 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1dfd n TYR 5 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1dfd n VAL 6 N 1.95 0.00 -3.39 -3.48 0.31 -1.26 -2.27 118.33 110.20 1dfd n VAL 6 Ca 0.00 -0.12 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 1dfd n VAL 6 Cb 0.00 0.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.91 1dfd n VAL 6 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dfd s ASP 7 N -1.13 1.50 0.00 4.52 -1.08 -1.10 -4.91 116.67 114.47 1dfd s ASP 7 Ca 0.02 -1.08 -0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1dfd s ASP 7 Cb 0.00 0.52 -0.00 0.00 -1.46 0.00 0.00 42.92 41.98 1dfd s ASP 7 CO 0.01 -0.34 0.47 0.00 0.52 0.00 0.00 175.17 175.84 1dfd n GLN 8 N 4.90 0.24 0.00 4.34 3.00 -1.26 -3.18 117.38 125.42 1dfd n GLN 8 Ca 0.03 -0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 1dfd n GLN 8 Cb 0.46 -1.39 -0.14 0.00 0.00 0.00 0.00 30.24 29.17 1dfd n GLN 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1dfd n ASP 9 N 1.89 0.25 -0.01 1.08 2.03 -1.26 -4.31 116.55 116.22 1dfd n ASP 9 Ca 0.00 -0.15 0.02 0.00 0.52 0.00 0.00 54.79 55.17 1dfd n ASP 9 Cb 0.12 1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 42.17 1dfd n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dfd n GLU 10 N -2.14 5.28 -1.75 -0.67 1.02 -1.19 -5.01 120.64 116.18 1dfd n GLU 10 Ca -0.02 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1dfd n GLU 10 Cb 0.52 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 31.20 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dfd n ILE 12 N 4.06 1.64 0.00 0.00 -5.35 -1.26 -5.00 119.36 113.45 1dfd n ILE 12 Ca 0.16 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1dfd n ILE 12 Cb 0.36 -1.87 0.00 0.00 -1.74 0.00 0.00 39.64 36.39 1dfd n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dfd n ALA 13 N -3.30 0.00 -1.17 -1.28 0.00 -1.26 -5.10 120.51 108.39 1dfd n ALA 13 Ca -0.35 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1dfd n ALA 13 Cb 0.87 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.38 1dfd n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfd n GLU 15 N -0.32 1.96 -0.30 0.00 -0.58 -1.26 -4.74 120.64 115.40 1dfd n GLU 15 Ca 0.08 -2.60 0.11 0.00 -0.42 0.00 0.00 57.16 54.33 1dfd n GLU 15 Cb 0.51 -1.58 0.25 0.00 -0.57 0.00 0.00 31.44 30.04 1dfd n GLU 15 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1dfd h SER 16 N 0.66 -0.28 -0.15 1.62 0.02 -1.90 0.35 113.55 113.87 1dfd h SER 16 Ca 0.00 0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1dfd h SER 16 Cb 1.12 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1dfd h SER 16 CO 0.07 -0.24 -0.00 0.00 -1.14 0.00 0.00 176.83 175.53 1dfd h VAL 18 N 0.01 0.66 -0.26 0.00 2.07 -0.64 0.36 116.25 118.44 1dfd h VAL 18 Ca 0.04 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1dfd h VAL 18 Cb 0.37 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1dfd h VAL 18 CO 0.01 0.12 -0.45 -0.33 0.02 0.00 0.00 177.57 176.93 1dfd h GLU 19 N 0.65 0.68 0.00 1.57 4.39 -0.72 1.04 114.58 122.18 1dfd h GLU 19 Ca 0.58 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1dfd h GLU 19 Cb 1.06 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1dfd h GLU 19 CO -0.36 0.99 0.00 -0.89 -1.16 0.00 0.00 179.01 177.59 1dfd n ILE 20 N -4.01 0.00 -2.65 3.13 5.41 0.10 -4.17 119.36 117.16 1dfd n ILE 20 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 1dfd n ILE 20 Cb 0.56 -0.26 0.09 0.00 -0.71 0.00 0.00 39.64 39.32 1dfd n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1dfd n ALA 21 N -0.71 -3.77 0.92 -1.39 0.00 0.04 -4.60 120.51 111.00 1dfd n ALA 21 Ca 0.09 -0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1dfd n ALA 21 Cb 0.04 -3.47 0.46 0.00 0.00 0.00 0.00 19.45 16.48 1dfd n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dfd n PRO 22 N 1.26 0.38 -0.09 0.00 -0.04 0.35 -0.40 135.00 136.46 1dfd n PRO 22 Ca -0.02 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1dfd n PRO 22 Cb 0.73 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.57 1dfd n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dfd n GLY 23 N 0.09 -0.62 0.12 0.55 0.00 -1.26 -4.72 105.19 99.36 1dfd n GLY 23 Ca 0.10 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1dfd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd n ALA 24 N -2.81 1.04 -2.32 4.61 0.00 -1.09 -4.31 120.51 115.64 1dfd n ALA 24 Ca -0.31 -0.90 -0.40 0.00 0.00 0.00 0.00 53.44 51.83 1dfd n ALA 24 Cb 0.99 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.33 1dfd n ALA 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1dfd s PHE 25 N -2.49 3.77 -0.29 0.00 2.19 0.47 0.16 117.98 121.79 1dfd s PHE 25 Ca -0.35 1.45 -0.16 0.00 0.33 0.00 0.00 56.93 58.21 1dfd s PHE 25 Cb 0.11 -2.76 0.11 0.00 -1.31 0.00 0.00 43.02 39.18 1dfd s PHE 25 CO 0.50 0.36 0.80 0.00 1.83 0.00 0.00 175.22 178.71 1dfd s ALA 26 N -0.37 -2.07 0.59 11.12 0.00 -0.76 -4.37 121.76 125.90 1dfd s ALA 26 Ca 0.36 2.33 -0.20 0.00 0.00 0.00 0.00 51.96 54.45 1dfd s ALA 26 Cb -0.21 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 1dfd s ALA 26 CO 0.22 -0.43 1.30 1.41 0.00 0.00 0.00 175.76 178.26 1dfd s MET 27 N 1.66 2.93 0.20 0.00 1.75 -1.25 -2.32 119.30 122.26 1dfd s MET 27 Ca -0.09 2.07 0.07 0.00 -1.25 0.00 0.00 55.69 56.49 1dfd s MET 27 Cb -0.05 -2.05 -0.05 0.00 2.84 0.00 0.00 34.83 35.52 1dfd s MET 27 CO -0.18 -1.31 -0.13 0.34 -0.65 0.00 0.00 175.02 173.10 1dfd s ASP 28 N -1.26 2.43 0.31 1.11 2.15 -0.59 -4.81 116.67 116.00 1dfd s ASP 28 Ca 0.76 -1.04 0.23 0.00 0.43 0.00 0.00 52.55 52.94 1dfd s ASP 28 Cb -0.37 -0.11 0.24 0.00 -0.30 0.00 0.00 42.92 42.38 1dfd s ASP 28 CO 0.41 -0.22 1.38 1.55 -0.17 0.00 0.00 175.17 178.12 1dfd h PRO 29 N 2.57 0.00 0.06 4.34 0.13 -1.94 3.01 132.00 140.17 1dfd h PRO 29 Ca -0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1dfd h PRO 29 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1dfd h PRO 29 CO 0.63 0.00 -1.75 1.49 -0.23 0.00 0.00 178.00 178.14 1dfd h GLU 30 N 0.00 0.12 -0.03 0.86 4.81 -1.96 -3.30 114.58 115.08 1dfd h GLU 30 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1dfd h GLU 30 Cb 0.96 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1dfd h GLU 30 CO 0.00 0.83 -0.04 0.44 -0.73 0.00 0.00 179.01 179.51 1dfd n ILE 31 N -3.25 0.00 -2.83 2.32 -5.35 -1.22 -4.94 119.36 104.09 1dfd n ILE 31 Ca -0.21 -0.48 -0.16 0.00 -0.27 0.00 0.00 62.75 61.63 1dfd n ILE 31 Cb 1.05 1.44 -0.03 0.00 -1.74 0.00 0.00 39.64 40.35 1dfd n ILE 31 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1dfd n GLU 32 N 1.12 -0.91 -3.56 6.28 1.02 1.00 -4.67 120.64 120.92 1dfd n GLU 32 Ca 0.12 0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 1dfd n GLU 32 Cb 0.54 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1dfd n GLU 32 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dfd s LYS 33 N -3.78 0.54 0.40 3.49 1.02 -1.03 -4.81 119.74 115.58 1dfd s LYS 33 Ca 0.25 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.86 1dfd s LYS 33 Cb -0.15 0.25 -0.08 0.00 -0.52 0.00 0.00 37.83 37.33 1dfd s LYS 33 CO 0.40 -0.22 1.17 0.00 -0.92 0.00 0.00 175.35 175.79 1dfd s ALA 34 N -2.35 3.15 0.09 5.17 0.00 -1.26 -1.55 121.76 125.01 1dfd s ALA 34 Ca 0.06 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1dfd s ALA 34 Cb -0.01 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1dfd s ALA 34 CO -0.05 -0.55 0.30 1.52 0.00 0.00 0.00 175.76 176.98 1dfd s TYR 35 N -1.42 -0.04 -0.58 0.00 1.13 -0.98 -4.53 117.35 110.93 1dfd s TYR 35 Ca 0.57 -0.29 -0.20 0.00 -1.41 0.00 0.00 57.07 55.75 1dfd s TYR 35 Cb -0.31 0.10 -0.18 0.00 -1.10 0.00 0.00 41.96 40.47 1dfd s TYR 35 CO 0.39 -0.60 1.82 1.55 -2.51 0.00 0.00 175.55 176.20 1dfd n VAL 36 N -0.01 1.41 0.16 -3.49 3.14 -1.26 -1.83 118.33 116.46 1dfd n VAL 36 Ca -0.16 -1.13 0.09 0.00 -2.96 0.00 0.00 64.34 60.17 1dfd n VAL 36 Cb 0.62 -2.17 0.47 0.00 -1.06 0.00 0.00 33.84 31.70 1dfd n VAL 36 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1dfd n LYS 37 N 6.67 0.11 -3.06 1.45 2.85 0.42 -4.04 118.16 122.57 1dfd n LYS 37 Ca 0.45 0.60 0.02 0.00 -1.05 0.00 0.00 58.31 58.33 1dfd n LYS 37 Cb 0.34 -2.02 -0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1dfd n LYS 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1dfd s ASP 38 N -3.72 -1.08 0.59 -5.58 2.15 -0.88 -4.99 116.67 103.16 1dfd s ASP 38 Ca -0.02 -0.38 0.29 0.00 0.43 0.00 0.00 52.55 52.87 1dfd s ASP 38 Cb 0.05 1.45 1.39 0.00 -0.30 0.00 0.00 42.92 45.51 1dfd s ASP 38 CO 0.16 -0.14 1.78 -0.37 -0.17 0.00 0.00 175.17 176.43 1dfd h VAL 39 N 4.62 0.30 0.00 1.11 -1.51 -1.85 1.67 116.25 120.59 1dfd h VAL 39 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1dfd h VAL 39 Cb 1.20 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1dfd h VAL 39 CO 0.04 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.76 1dfd n GLU 40 N -3.67 0.00 0.21 5.19 1.02 -1.26 -2.93 120.64 119.21 1dfd n GLU 40 Ca 0.13 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 1dfd n GLU 40 Cb 0.88 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 31.03 1dfd n GLU 40 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1dfd h GLY 41 N 4.71 0.00 -3.66 0.62 0.00 0.23 -3.45 103.07 101.53 1dfd h GLY 41 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1dfd h GLY 41 CO 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 176.54 175.76 1dfd s ALA 42 N -3.23 1.69 0.16 3.60 0.00 -1.15 -3.53 121.76 119.30 1dfd s ALA 42 Ca 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1dfd s ALA 42 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1dfd s ALA 42 CO 0.65 0.19 0.00 0.43 0.00 0.00 0.00 175.76 177.03 1dfd n SER 43 N 0.59 0.00 0.10 0.00 7.64 -1.26 -4.78 113.62 115.91 1dfd n SER 43 Ca -0.16 -0.81 -0.08 0.00 1.01 0.00 0.00 58.87 58.83 1dfd n SER 43 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1dfd n SER 43 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1dfd h GLN 44 N 0.00 -0.32 0.00 1.43 4.15 -1.97 0.75 115.11 119.15 1dfd h GLN 44 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1dfd h GLN 44 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1dfd h GLN 44 CO 0.00 -0.07 0.00 0.39 -1.93 0.00 0.00 178.83 177.22 1dfd n GLU 45 N -4.99 0.14 -0.10 1.69 -0.58 -1.26 0.12 120.64 115.66 1dfd n GLU 45 Ca -0.06 0.57 -0.24 0.00 -0.42 0.00 0.00 57.16 57.02 1dfd n GLU 45 Cb 0.20 -1.91 -0.12 0.00 -0.57 0.00 0.00 31.44 29.05 1dfd n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1dfd n GLU 46 N -2.20 0.62 -0.23 3.49 1.02 -1.18 -2.37 120.64 119.79 1dfd n GLU 46 Ca -0.00 0.34 0.02 0.00 -0.02 0.00 0.00 57.16 57.49 1dfd n GLU 46 Cb 0.08 -1.61 0.26 0.00 -0.02 0.00 0.00 31.44 30.15 1dfd n GLU 46 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1dfd h VAL 47 N -0.64 1.15 0.20 2.62 2.07 0.11 -1.67 116.25 120.09 1dfd h VAL 47 Ca -0.53 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1dfd h VAL 47 Cb 1.65 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1dfd h VAL 47 CO -0.21 0.18 -0.10 -0.33 0.02 0.00 0.00 177.57 177.13 1dfd h GLU 48 N 0.99 -0.26 -0.73 1.57 5.08 -0.47 -2.31 114.58 118.45 1dfd h GLU 48 Ca 0.30 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.82 1dfd h GLU 48 Cb -0.01 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.16 1dfd h GLU 48 CO -0.08 0.12 -0.21 1.49 -1.00 0.00 0.00 179.01 179.33 1dfd h GLU 49 N -0.91 -0.02 0.00 2.33 4.81 -1.25 2.20 114.58 121.74 1dfd h GLU 49 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1dfd h GLU 49 Cb 0.50 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1dfd h GLU 49 CO 0.04 -0.01 -0.07 0.00 -0.73 0.00 0.00 179.01 178.24 1dfd h ALA 50 N 1.64 1.72 0.00 2.92 0.00 -1.36 0.12 119.26 124.30 1dfd h ALA 50 Ca 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1dfd h ALA 50 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dfd h ALA 50 CO -0.76 0.09 -0.00 1.98 0.00 0.00 0.00 179.25 180.56 1dfd h MET 51 N 0.00 0.00 0.00 0.00 1.85 0.42 -1.82 114.93 115.38 1dfd h MET 51 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1dfd h MET 51 Cb 0.14 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1dfd h MET 51 CO 0.01 0.00 -0.65 -3.47 -0.40 0.00 0.00 176.91 172.40 1dfd n ASP 52 N -3.10 0.65 -2.15 1.39 2.03 0.29 -4.46 116.55 111.21 1dfd n ASP 52 Ca -0.01 -0.82 -0.26 0.00 0.52 0.00 0.00 54.79 54.21 1dfd n ASP 52 Cb 0.18 1.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.68 1dfd n ASP 52 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1dfd n THR 53 N -1.32 3.21 -4.75 5.18 -2.24 -0.47 -4.89 114.28 108.99 1dfd n THR 53 Ca 0.03 -2.22 -0.26 0.00 -2.27 0.00 0.00 64.05 59.33 1dfd n THR 53 Cb 0.21 -0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 67.33 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfd h PRO 55 N 6.58 0.25 0.00 0.00 0.13 -1.96 -3.12 132.00 133.87 1dfd h PRO 55 Ca -0.31 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dfd h PRO 55 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dfd h PRO 55 CO 0.48 0.82 -1.52 1.33 -0.23 0.00 0.00 178.00 178.88 1dfd n VAL 56 N -3.83 0.04 -3.23 1.56 0.24 -1.26 -5.03 118.33 106.82 1dfd n VAL 56 Ca -0.03 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1dfd n VAL 56 Cb 0.66 0.33 0.01 0.00 -1.47 0.00 0.00 33.84 33.37 1dfd n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfd n GLN 57 N -2.00 -1.08 0.00 7.34 6.02 -1.18 -4.90 117.38 121.58 1dfd n GLN 57 Ca -0.01 1.17 0.00 0.00 -0.01 0.00 0.00 57.00 58.16 1dfd n GLN 57 Cb 0.48 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1dfd n GLN 57 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dfd s ILE 59 N -0.61 5.25 0.00 0.00 -1.16 -1.26 -2.72 121.20 120.70 1dfd s ILE 59 Ca 0.00 0.62 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 1dfd s ILE 59 Cb 0.00 -3.68 0.00 0.00 0.61 0.00 0.00 42.46 39.39 1dfd s ILE 59 CO 0.00 0.31 0.00 1.41 -2.81 0.00 0.00 174.94 173.85 1dfd n HIS 60 N 4.10 0.00 -3.97 3.50 8.25 -0.96 -4.94 115.22 121.21 1dfd n HIS 60 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1dfd n HIS 60 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 1dfd n HIS 60 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1dfd s TRP 61 N -0.30 2.17 -0.46 4.41 0.52 -1.26 -2.25 118.94 121.77 1dfd s TRP 61 Ca 0.00 -0.70 0.05 0.00 0.02 0.00 0.00 56.10 55.47 1dfd s TRP 61 Cb 0.00 -1.96 0.18 0.00 -1.15 0.00 0.00 33.47 30.54 1dfd s TRP 61 CO 0.00 -0.14 0.39 -1.91 0.02 0.00 0.00 176.95 175.31 1dfd n GLU 62 N -1.52 0.55 0.07 4.98 2.13 -0.18 -4.64 120.64 122.03 1dfd n GLU 62 Ca -0.02 -3.42 0.11 0.00 0.66 0.00 0.00 57.16 54.50 1dfd n GLU 62 Cb 0.64 -1.73 -0.02 0.00 0.27 0.00 0.00 31.44 30.60 1dfd n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1dfd n ASP 63 N 2.51 0.66 0.00 4.31 9.92 -1.26 -2.28 116.55 130.41 1dfd n ASP 63 Ca 0.28 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1dfd n ASP 63 Cb 0.46 0.75 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 1dfd n ASP 63 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71