#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 0.41 -0.16 0.00 -4.01 -1.26 -4.83 116.66 106.81 1dfd n ARG 2 Ca 0.00 -3.05 0.00 0.00 -1.04 0.00 0.00 57.85 53.76 1dfd n ARG 2 Cb 0.00 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 27.93 1dfd n ARG 2 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1dfd n LYS 3 N 2.31 2.44 0.00 2.89 4.81 0.51 -4.94 118.16 126.18 1dfd n LYS 3 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1dfd n LYS 3 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1dfd n LYS 3 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1dfd n PHE 4 N -0.20 0.00 -2.67 5.64 1.16 -1.24 -1.93 117.46 118.22 1dfd n PHE 4 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1dfd n PHE 4 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1dfd n PHE 4 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1dfd n TYR 5 N -0.62 0.00 -4.00 2.97 4.11 -0.85 -4.60 117.16 114.17 1dfd n TYR 5 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.81 1dfd n TYR 5 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.23 1dfd n TYR 5 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1dfd s VAL 6 N -2.84 0.13 -2.98 -3.48 1.01 -1.26 -2.01 120.40 108.98 1dfd s VAL 6 Ca 0.00 -1.11 0.24 0.00 0.00 0.00 0.00 61.98 61.12 1dfd s VAL 6 Cb 0.00 -0.54 0.21 0.00 0.00 0.00 0.00 36.38 36.04 1dfd s VAL 6 CO 0.00 -0.61 1.28 -0.67 0.00 0.00 0.00 175.10 175.10 1dfd n ASP 7 N 1.26 2.94 -0.53 3.32 2.03 -0.80 -4.54 116.55 120.23 1dfd n ASP 7 Ca -0.22 -1.98 -0.01 0.00 0.52 0.00 0.00 54.79 53.10 1dfd n ASP 7 Cb 0.56 -0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 1dfd n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfd n GLN 8 N 1.30 -1.54 -0.04 -0.67 0.00 -1.26 -4.67 117.38 110.50 1dfd n GLN 8 Ca 0.14 0.11 -0.13 0.00 0.00 0.00 0.00 57.00 57.12 1dfd n GLN 8 Cb 0.59 -3.50 -0.11 0.00 0.00 0.00 0.00 30.24 27.21 1dfd n GLN 8 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1dfd h ASP 9 N 0.00 -0.02 -0.20 2.61 3.58 -1.90 -3.15 116.42 117.34 1dfd h ASP 9 Ca -0.03 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.68 1dfd h ASP 9 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1dfd h ASP 9 CO 0.04 0.76 0.00 1.21 -2.88 0.00 0.00 179.24 178.37 1dfd n GLU 10 N -4.72 1.61 -1.91 0.28 4.07 -1.26 -4.85 120.64 113.86 1dfd n GLU 10 Ca -0.09 -0.79 -0.43 0.00 -0.06 0.00 0.00 57.16 55.79 1dfd n GLU 10 Cb 0.37 -1.27 -0.03 0.00 -0.06 0.00 0.00 31.44 30.45 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dfd n ILE 12 N 7.22 0.00 -1.23 0.00 -5.35 -1.26 -4.87 119.36 113.87 1dfd n ILE 12 Ca 0.24 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.57 1dfd n ILE 12 Cb 0.46 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 38.57 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 -3.00 5.04 -2.67 -1.28 0.00 -1.26 -4.96 120.51 112.39 1dfd n ALA 13 Ca 0.00 -2.81 -0.23 0.00 0.00 0.00 0.00 53.44 50.40 1dfd n ALA 13 Cb 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.85 0.24 -0.32 0.00 0.28 -1.26 -4.84 120.64 113.88 1dfd n GLU 15 Ca -0.07 -1.33 0.18 0.00 -0.16 0.00 0.00 57.16 55.78 1dfd n GLU 15 Cb 0.58 -0.67 0.36 0.00 1.43 0.00 0.00 31.44 33.14 1dfd n GLU 15 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1dfd h SER 16 N 0.04 -0.14 -0.74 -1.84 4.64 -1.95 1.38 113.55 114.93 1dfd h SER 16 Ca -0.01 0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1dfd h SER 16 Cb 1.34 0.37 -0.05 0.00 -0.31 0.00 0.00 62.40 63.75 1dfd h SER 16 CO 0.00 -0.31 0.46 0.00 -0.87 0.00 0.00 176.83 176.12 1dfd h VAL 18 N 0.90 0.85 0.20 0.00 2.07 0.16 -0.39 116.25 120.04 1dfd h VAL 18 Ca 0.30 -0.02 -0.32 0.00 0.82 0.00 0.00 66.70 67.48 1dfd h VAL 18 Cb 0.05 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1dfd h VAL 18 CO -0.12 0.01 -1.50 -0.08 0.02 0.00 0.00 177.57 175.90 1dfd h GLU 19 N 0.06 0.43 0.00 1.57 4.22 -0.54 -2.59 114.58 117.72 1dfd h GLU 19 Ca 0.17 -0.73 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1dfd h GLU 19 Cb 0.59 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1dfd h GLU 19 CO -0.01 1.34 0.00 -0.89 -2.18 0.00 0.00 179.01 177.27 1dfd n ILE 20 N -3.62 0.00 -2.74 2.32 2.08 -0.35 -3.94 119.36 113.11 1dfd n ILE 20 Ca -0.17 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.07 1dfd n ILE 20 Cb 1.08 -0.48 0.05 0.00 -0.75 0.00 0.00 39.64 39.53 1dfd n ILE 20 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1dfd n ALA 21 N -0.85 -1.69 -1.09 -1.39 0.00 -0.28 -4.54 120.51 110.67 1dfd n ALA 21 Ca 0.12 -1.25 -0.39 0.00 0.00 0.00 0.00 53.44 51.92 1dfd n ALA 21 Cb 0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 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 1.73 1.66 0.00 0.00 -0.04 -0.99 -2.32 135.00 135.04 1dfd n PRO 22 Ca 0.09 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1dfd n PRO 22 Cb 0.63 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 4.36 1.02 0.12 0.55 0.00 -1.25 -4.96 105.19 105.04 1dfd n GLY 23 Ca 0.49 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.90 -2.85 4.61 0.00 -1.04 -4.33 120.51 117.79 1dfd n ALA 24 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.45 1dfd n ALA 24 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.44 3.54 -0.30 0.00 2.19 -0.98 -0.87 117.98 119.13 1dfd s PHE 25 Ca -0.29 0.48 -0.15 0.00 0.33 0.00 0.00 56.93 57.30 1dfd s PHE 25 Cb 0.07 -1.95 0.16 0.00 -1.31 0.00 0.00 43.02 39.99 1dfd s PHE 25 CO 0.62 0.67 0.97 0.00 1.83 0.00 0.00 175.22 179.32 1dfd s ALA 26 N -0.89 -2.51 0.70 11.12 0.00 -0.85 -4.58 121.76 124.76 1dfd s ALA 26 Ca 0.14 2.12 -0.16 0.00 0.00 0.00 0.00 51.96 54.06 1dfd s ALA 26 Cb -0.12 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1dfd s ALA 26 CO 0.03 -0.71 1.24 0.00 0.00 0.00 0.00 175.76 176.33 1dfd s MET 27 N 2.02 2.24 0.18 0.00 0.23 -1.26 -2.33 119.30 120.39 1dfd s MET 27 Ca -0.05 1.90 0.06 0.00 -1.03 0.00 0.00 55.69 56.57 1dfd s MET 27 Cb -0.05 -1.83 -0.05 0.00 -1.53 0.00 0.00 34.83 31.37 1dfd s MET 27 CO -0.16 -1.79 -0.13 0.34 -2.03 0.00 0.00 175.02 171.25 1dfd s ASP 28 N -1.76 2.25 0.21 -1.18 2.15 -0.97 -4.80 116.67 112.56 1dfd s ASP 28 Ca 0.78 -1.01 0.24 0.00 0.43 0.00 0.00 52.55 52.99 1dfd s ASP 28 Cb -0.33 -0.08 0.45 0.00 -0.30 0.00 0.00 42.92 42.66 1dfd s ASP 28 CO 0.43 -0.23 1.48 1.55 -0.17 0.00 0.00 175.17 178.23 1dfd h PRO 29 N 2.68 0.00 0.00 4.34 0.13 -1.94 3.26 132.00 140.47 1dfd h PRO 29 Ca -0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.52 1dfd h PRO 29 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1dfd h PRO 29 CO 0.62 0.00 -1.69 -1.91 -0.23 0.00 0.00 178.00 174.79 1dfd n GLU 30 N -2.38 0.64 -0.04 0.86 2.13 -1.26 -3.88 120.64 116.71 1dfd n GLU 30 Ca 0.04 0.20 0.06 0.00 0.66 0.00 0.00 57.16 58.12 1dfd n GLU 30 Cb 0.46 -1.75 0.07 0.00 0.27 0.00 0.00 31.44 30.50 1dfd n GLU 30 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1dfd n ILE 31 N -2.90 0.24 -2.70 6.31 -5.35 -1.19 -4.96 119.36 108.81 1dfd n ILE 31 Ca -0.16 -0.62 -0.12 0.00 -0.27 0.00 0.00 62.75 61.58 1dfd n ILE 31 Cb 0.96 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.89 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 0.62 -0.94 -3.60 6.28 -0.58 1.08 -4.65 120.64 118.85 1dfd n GLU 32 Ca 0.08 0.04 -0.08 0.00 -0.42 0.00 0.00 57.16 56.78 1dfd n GLU 32 Cb 0.32 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 1dfd n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1dfd s LYS 33 N -3.51 0.40 0.48 3.49 3.01 -1.03 -4.81 119.74 117.77 1dfd s LYS 33 Ca 0.16 0.12 -0.23 0.00 -1.01 0.00 0.00 55.97 55.01 1dfd s LYS 33 Cb -0.09 0.19 -0.08 0.00 -1.01 0.00 0.00 37.83 36.84 1dfd s LYS 33 CO 0.32 -0.12 1.22 0.00 0.51 0.00 0.00 175.35 177.27 1dfd n ALA 34 N 0.76 1.08 -3.20 5.17 0.00 -1.26 -2.29 120.51 120.76 1dfd n ALA 34 Ca -0.07 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1dfd n ALA 34 Cb 0.58 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.68 1dfd n ALA 34 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1dfd s TYR 35 N -1.28 -0.33 -0.94 0.00 1.13 -0.98 -4.21 117.35 110.73 1dfd s TYR 35 Ca 0.66 0.80 -0.20 0.00 -1.41 0.00 0.00 57.07 56.92 1dfd s TYR 35 Cb -0.48 0.11 0.11 0.00 -1.10 0.00 0.00 41.96 40.61 1dfd s TYR 35 CO 0.54 -0.18 1.19 0.08 -2.51 0.00 0.00 175.55 174.67 1dfd s VAL 36 N 0.05 4.55 -1.35 -3.49 1.01 -1.23 -2.02 120.40 117.92 1dfd s VAL 36 Ca -0.01 -1.38 0.20 0.00 0.00 0.00 0.00 61.98 60.79 1dfd s VAL 36 Cb -0.02 -4.84 -0.13 0.00 0.00 0.00 0.00 36.38 31.39 1dfd s VAL 36 CO 0.01 -1.60 0.92 2.29 0.00 0.00 0.00 175.10 176.72 1dfd n LYS 37 N 7.07 0.82 -3.53 2.72 2.85 -0.05 -4.57 118.16 123.46 1dfd n LYS 37 Ca 0.25 -0.41 -0.29 0.00 -1.05 0.00 0.00 58.31 56.82 1dfd n LYS 37 Cb 0.49 -1.43 -0.13 0.00 -0.65 0.00 0.00 35.03 33.31 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 -2.65 3.29 0.53 -5.58 -1.08 -1.16 -4.96 116.67 105.05 1dfd s ASP 38 Ca 0.12 -1.94 0.20 0.00 -0.52 0.00 0.00 52.55 50.41 1dfd s ASP 38 Cb 0.16 -0.49 1.35 0.00 -1.46 0.00 0.00 42.92 42.48 1dfd s ASP 38 CO 0.70 -0.35 2.11 -0.37 0.52 0.00 0.00 175.17 177.78 1dfd h VAL 39 N 5.55 0.88 0.00 1.11 -1.51 -1.87 0.31 116.25 120.73 1dfd h VAL 39 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1dfd h VAL 39 Cb 0.98 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1dfd h VAL 39 CO 0.35 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.36 1dfd h GLU 40 N 0.00 0.00 0.00 5.19 5.08 -1.93 -2.91 114.58 120.01 1dfd h GLU 40 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1dfd h GLU 40 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1dfd h GLU 40 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1dfd n GLY 41 N 0.75 -0.91 3.39 -3.84 0.00 0.11 -4.53 105.19 100.16 1dfd n GLY 41 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1dfd n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd s ALA 42 N -2.86 -1.50 1.03 4.61 0.00 -1.10 -3.14 121.76 118.80 1dfd s ALA 42 Ca 0.09 1.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.68 1dfd s ALA 42 Cb 0.09 -1.51 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1dfd s ALA 42 CO 0.24 -0.84 0.03 0.43 0.00 0.00 0.00 175.76 175.62 1dfd n SER 43 N 5.41 -2.78 -0.12 0.00 7.64 -1.26 -4.12 113.62 118.38 1dfd n SER 43 Ca -0.09 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.41 1dfd n SER 43 Cb 0.49 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 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 -2.32 0.76 0.00 1.43 -0.00 -1.98 0.70 115.11 113.70 1dfd h GLN 44 Ca -0.35 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 57.98 1dfd h GLN 44 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.46 1dfd h GLN 44 CO 0.23 0.94 0.00 0.39 0.00 0.00 0.00 178.83 180.39 1dfd n GLU 45 N -4.30 0.14 -0.10 1.69 -0.58 -1.26 -0.08 120.64 116.15 1dfd n GLU 45 Ca -0.02 0.46 -0.22 0.00 -0.42 0.00 0.00 57.16 56.96 1dfd n GLU 45 Cb 0.40 -1.82 -0.12 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.10 0.65 0.08 3.49 1.02 -0.78 -2.40 120.64 120.59 1dfd n GLU 46 Ca 0.01 0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1dfd n GLU 46 Cb 0.16 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.33 0.76 0.19 2.62 2.07 0.88 1.00 116.25 123.44 1dfd h VAL 47 Ca -0.55 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1dfd h VAL 47 Cb 1.80 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1dfd h VAL 47 CO -0.14 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.03 1dfd h GLU 48 N -0.20 -0.25 -0.67 1.57 5.08 -0.68 -1.49 114.58 117.94 1dfd h GLU 48 Ca 0.02 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1dfd h GLU 48 Cb 0.21 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.40 1dfd h GLU 48 CO -0.06 0.04 -0.05 0.93 -1.00 0.00 0.00 179.01 178.87 1dfd h GLU 49 N -0.53 0.07 0.00 2.33 5.08 -1.29 1.35 114.58 121.59 1dfd h GLU 49 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1dfd h GLU 49 Cb 0.40 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1dfd h GLU 49 CO 0.04 0.05 -0.11 0.00 -1.00 0.00 0.00 179.01 177.99 1dfd h ALA 50 N 1.63 1.19 0.00 3.43 0.00 -0.68 -0.94 119.26 123.88 1dfd h ALA 50 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1dfd h ALA 50 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dfd h ALA 50 CO -0.61 0.14 0.00 -0.12 0.00 0.00 0.00 179.25 178.65 1dfd n MET 51 N -3.49 0.24 -0.04 0.00 0.00 0.45 -3.11 117.12 111.18 1dfd n MET 51 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.70 57.98 1dfd n MET 51 Cb 0.26 -1.84 -0.15 0.00 0.00 0.00 0.00 33.22 31.49 1dfd n MET 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1dfd n ASP 52 N -2.27 0.16 0.23 6.12 2.03 -0.40 -4.17 116.55 118.26 1dfd n ASP 52 Ca 0.04 0.07 0.15 0.00 0.52 0.00 0.00 54.79 55.57 1dfd n ASP 52 Cb 0.36 1.23 0.45 0.00 -0.72 0.00 0.00 41.12 42.43 1dfd n ASP 52 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1dfd h THR 53 N 0.00 0.00 -3.96 5.18 2.02 -1.39 -3.44 112.91 111.31 1dfd h THR 53 Ca -0.27 -0.68 -0.51 0.00 0.77 0.00 0.00 66.41 65.73 1dfd h THR 53 Cb 1.64 1.65 0.05 0.00 -1.74 0.00 0.00 68.15 69.76 1dfd h THR 53 CO 0.02 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.40 1dfd n PRO 55 N -0.13 0.00 0.01 0.00 -0.04 -1.26 -4.06 135.00 129.52 1dfd n PRO 55 Ca 0.05 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.67 1dfd n PRO 55 Cb 0.47 -0.32 0.62 0.00 -0.04 0.00 0.00 33.50 34.23 1dfd n PRO 55 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1dfd h VAL 56 N 0.00 0.83 -4.10 0.52 -1.51 -1.95 -3.46 116.25 106.59 1dfd h VAL 56 Ca 0.00 -0.05 -0.17 0.00 -1.23 0.00 0.00 66.70 65.25 1dfd h VAL 56 Cb 0.00 0.68 0.10 0.00 -2.13 0.00 0.00 31.29 29.93 1dfd h VAL 56 CO 0.00 0.03 -0.44 1.67 -1.23 0.00 0.00 177.57 177.60 1dfd n GLN 57 N -4.44 -3.07 -0.80 5.19 7.27 -1.26 -4.83 117.38 115.44 1dfd n GLN 57 Ca 0.08 0.47 -0.31 0.00 0.07 0.00 0.00 57.00 57.31 1dfd n GLN 57 Cb 0.45 -4.25 -0.04 0.00 2.41 0.00 0.00 30.24 28.81 1dfd n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dfd s ILE 59 N 4.71 0.98 -0.13 0.00 1.10 -1.26 -1.91 121.20 124.69 1dfd s ILE 59 Ca 0.46 -1.12 -0.07 0.00 -0.51 0.00 0.00 60.65 59.42 1dfd s ILE 59 Cb 0.11 -0.94 0.05 0.00 0.15 0.00 0.00 42.46 41.84 1dfd s ILE 59 CO 0.08 -0.16 0.32 -1.00 -2.11 0.00 0.00 174.94 172.07 1dfd s HIS 60 N -1.10 -0.46 0.82 3.50 3.76 -0.85 -4.99 115.29 115.98 1dfd s HIS 60 Ca -0.02 1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 55.80 1dfd s HIS 60 Cb -0.09 0.14 0.09 0.00 1.11 0.00 0.00 32.58 33.83 1dfd s HIS 60 CO 0.01 -0.29 1.10 -1.58 -0.85 0.00 0.00 174.74 173.13 1dfd s TRP 61 N 1.39 2.37 -0.11 1.40 0.52 -1.26 -2.00 118.94 121.24 1dfd s TRP 61 Ca -0.09 1.53 -0.00 0.00 0.02 0.00 0.00 56.10 57.55 1dfd s TRP 61 Cb -0.10 -3.11 0.03 0.00 -1.15 0.00 0.00 33.47 29.14 1dfd s TRP 61 CO -0.10 -2.10 -0.07 -2.00 0.02 0.00 0.00 176.95 172.69 1dfd s GLU 62 N -4.86 1.49 -0.30 4.98 2.12 -0.81 -4.71 118.70 116.61 1dfd s GLU 62 Ca 0.63 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.79 1dfd s GLU 62 Cb -0.18 -1.58 0.51 0.00 0.26 0.00 0.00 34.13 33.13 1dfd s GLU 62 CO 0.57 -0.27 1.48 -0.25 -0.54 0.00 0.00 175.26 176.24 1dfd n ASP 63 N 4.95 2.62 0.00 -1.70 8.00 -1.26 -0.36 116.55 128.80 1dfd n ASP 63 Ca -0.12 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.58 1dfd n ASP 63 Cb 0.50 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1dfd n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97