#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 -2.56 0.00 0.00 1.74 -1.22 -4.89 116.66 109.73 1dfd n ARG 2 Ca 0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1dfd n ARG 2 Cb 0.00 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1dfd n ARG 2 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1dfd n LYS 3 N -3.11 3.50 -3.42 5.56 0.00 -0.61 -4.73 118.16 115.36 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 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.56 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 -0.67 -2.58 5.58 -1.74 -1.26 -0.45 117.46 116.34 1dfd n PHE 4 Ca 0.00 -0.72 0.00 0.00 -0.56 0.00 0.00 57.45 56.17 1dfd n PHE 4 Cb 0.00 0.34 0.00 0.00 1.52 0.00 0.00 39.48 41.34 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 -0.65 0.00 -4.35 2.97 4.11 -0.91 -4.54 117.16 113.79 1dfd n TYR 5 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.73 1dfd n TYR 5 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.69 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 -2.80 0.50 -0.50 -3.48 1.01 -1.26 -2.31 120.40 111.57 1dfd s VAL 6 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.02 1dfd s VAL 6 Cb 0.00 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.93 1dfd s VAL 6 CO 0.00 0.00 0.25 -0.62 0.00 0.00 0.00 175.10 174.73 1dfd s ASP 7 N -3.37 4.16 0.00 3.32 2.15 -0.51 -4.81 116.67 117.61 1dfd s ASP 7 Ca 0.36 -2.91 -0.02 0.00 0.43 0.00 0.00 52.55 50.41 1dfd s ASP 7 Cb 0.06 -1.50 -0.08 0.00 -0.30 0.00 0.00 42.92 41.11 1dfd s ASP 7 CO 0.15 -0.24 1.42 0.00 -0.17 0.00 0.00 175.17 176.33 1dfd n GLN 8 N 3.23 0.61 -0.02 4.34 3.00 -1.26 -3.00 117.38 124.28 1dfd n GLN 8 Ca 0.06 -0.29 -0.00 0.00 -0.01 0.00 0.00 57.00 56.76 1dfd n GLN 8 Cb 0.33 -1.63 -0.05 0.00 0.00 0.00 0.00 30.24 28.89 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 2.73 3.52 -0.00 1.08 2.03 -1.26 -4.63 116.55 120.01 1dfd n ASP 9 Ca 0.12 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.49 1dfd n ASP 9 Cb 0.28 0.93 -0.08 0.00 -0.72 0.00 0.00 41.12 41.53 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 -2.01 0.42 -1.51 -0.67 -0.58 -1.16 -5.01 120.64 110.12 1dfd n GLU 10 Ca -0.06 -0.10 -0.44 0.00 -0.42 0.00 0.00 57.16 56.14 1dfd n GLU 10 Cb 0.47 -1.25 -0.01 0.00 -0.57 0.00 0.00 31.44 30.08 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dfd n ILE 12 N -0.20 1.52 0.00 0.00 -5.35 -1.26 -5.02 119.36 109.06 1dfd n ILE 12 Ca 0.12 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1dfd n ILE 12 Cb 0.33 -1.98 0.00 0.00 -1.74 0.00 0.00 39.64 36.25 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 -4.24 0.00 -2.83 -1.28 0.00 -1.26 -5.03 120.51 105.87 1dfd n ALA 13 Ca -0.46 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.75 1dfd n ALA 13 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.97 3.28 0.00 0.00 1.02 -1.26 -4.67 120.64 118.04 1dfd n GLU 15 Ca -0.08 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 1dfd n GLU 15 Cb 0.57 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1dfd n GLU 15 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dfd n SER 16 N 1.30 0.00 -0.13 1.62 7.64 -1.26 0.20 113.62 122.98 1dfd n SER 16 Ca 0.25 0.68 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 1dfd n SER 16 Cb 0.77 -0.18 0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1dfd n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dfd h VAL 18 N 0.07 0.29 0.13 0.00 2.07 -1.61 0.37 116.25 117.56 1dfd h VAL 18 Ca 0.21 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.42 1dfd h VAL 18 Cb 0.31 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1dfd h VAL 18 CO -0.38 0.00 -1.50 -0.08 0.02 0.00 0.00 177.57 175.63 1dfd h GLU 19 N 0.00 0.27 -0.17 1.57 4.22 0.75 0.12 114.58 121.33 1dfd h GLU 19 Ca 0.18 -0.46 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1dfd h GLU 19 Cb 1.12 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1dfd h GLU 19 CO -0.00 1.15 0.00 -0.89 -2.18 0.00 0.00 179.01 177.09 1dfd n ILE 20 N -3.48 0.19 0.00 2.32 -0.00 0.11 -4.28 119.36 114.22 1dfd n ILE 20 Ca -0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1dfd n ILE 20 Cb 1.05 0.05 0.00 0.00 -0.00 0.00 0.00 39.64 40.74 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 -0.11 0.00 0.93 -1.39 0.00 -0.05 -4.56 120.51 115.33 1dfd n ALA 21 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1dfd n ALA 21 Cb 0.13 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 0.44 -0.10 0.00 -0.04 0.41 -0.74 135.00 134.97 1dfd n PRO 22 Ca 0.00 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.32 1dfd n PRO 22 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.01 -0.29 0.12 0.55 0.00 -1.22 -4.64 105.19 99.69 1dfd n GLY 23 Ca 0.11 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1dfd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd h ALA 24 N -0.33 0.20 -3.20 4.61 0.00 -1.46 -3.38 119.26 115.71 1dfd h ALA 24 Ca -0.47 -1.06 -0.68 0.00 0.00 0.00 0.00 54.91 52.71 1dfd h ALA 24 Cb 1.57 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.48 1dfd h ALA 24 CO -0.18 1.07 -0.60 0.12 0.00 0.00 0.00 179.25 179.66 1dfd s PHE 25 N -2.62 3.23 -0.30 0.00 2.19 0.08 -0.43 117.98 120.14 1dfd s PHE 25 Ca -0.09 0.24 -0.16 0.00 0.33 0.00 0.00 56.93 57.25 1dfd s PHE 25 Cb 0.06 -1.80 0.17 0.00 -1.31 0.00 0.00 43.02 40.14 1dfd s PHE 25 CO 0.87 0.52 1.03 0.00 1.83 0.00 0.00 175.22 179.47 1dfd s ALA 26 N -0.94 -2.78 0.75 11.12 0.00 -0.96 -4.33 121.76 124.62 1dfd s ALA 26 Ca 0.15 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.97 1dfd s ALA 26 Cb -0.11 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1dfd s ALA 26 CO 0.04 -0.94 1.12 -1.33 0.00 0.00 0.00 175.76 174.65 1dfd n MET 27 N 4.87 0.48 -4.29 0.00 0.00 -1.26 -2.34 117.12 114.59 1dfd n MET 27 Ca -0.09 0.23 -0.15 0.00 0.00 0.00 0.00 57.70 57.69 1dfd n MET 27 Cb 0.53 -2.36 -0.10 0.00 0.00 0.00 0.00 33.22 31.29 1dfd n MET 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1dfd s ASP 28 N -1.78 1.52 0.17 7.83 2.15 -0.98 -4.80 116.67 120.78 1dfd s ASP 28 Ca 0.75 -1.20 0.25 0.00 0.43 0.00 0.00 52.55 52.78 1dfd s ASP 28 Cb -0.33 0.07 0.54 0.00 -0.30 0.00 0.00 42.92 42.89 1dfd s ASP 28 CO 0.49 -0.54 1.52 1.55 -0.17 0.00 0.00 175.17 178.01 1dfd h PRO 29 N 2.58 0.00 0.20 4.34 0.13 -1.94 3.39 132.00 140.69 1dfd h PRO 29 Ca -0.37 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 1dfd h PRO 29 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1dfd h PRO 29 CO 0.63 0.00 -1.63 1.49 -0.23 0.00 0.00 178.00 178.26 1dfd h GLU 30 N 0.00 0.42 -0.08 0.86 4.81 -1.96 -3.31 114.58 115.32 1dfd h GLU 30 Ca 0.00 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1dfd h GLU 30 Cb 0.76 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1dfd h GLU 30 CO 0.00 1.33 0.00 0.44 -0.73 0.00 0.00 179.01 180.05 1dfd n ILE 31 N -3.61 0.12 -2.99 2.32 -0.00 -1.21 -4.93 119.36 109.06 1dfd n ILE 31 Ca -0.21 -0.56 -0.19 0.00 -0.00 0.00 0.00 62.75 61.79 1dfd n ILE 31 Cb 1.08 1.24 -0.04 0.00 -0.00 0.00 0.00 39.64 41.93 1dfd n ILE 31 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1dfd n GLU 32 N 0.94 -1.37 -3.55 6.28 1.02 1.12 -4.72 120.64 120.36 1dfd n GLU 32 Ca 0.11 0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 1dfd n GLU 32 Cb 0.43 -3.21 -0.06 0.00 -0.02 0.00 0.00 31.44 28.58 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 -4.66 0.80 0.37 3.49 1.02 -1.01 -4.78 119.74 114.97 1dfd s LYS 33 Ca 0.37 0.22 -0.26 0.00 0.02 0.00 0.00 55.97 56.32 1dfd s LYS 33 Cb -0.22 0.38 -0.12 0.00 -0.52 0.00 0.00 37.83 37.35 1dfd s LYS 33 CO 0.46 -0.25 1.10 0.00 -0.92 0.00 0.00 175.35 175.74 1dfd n ALA 34 N 0.88 0.43 -3.05 5.17 0.00 -1.26 -2.31 120.51 120.36 1dfd n ALA 34 Ca -0.14 0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1dfd n ALA 34 Cb 0.57 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.17 -0.17 -0.77 0.00 1.13 -0.99 -4.45 117.35 110.93 1dfd s TYR 35 Ca 0.60 0.41 -0.24 0.00 -1.41 0.00 0.00 57.07 56.44 1dfd s TYR 35 Cb -0.59 0.06 0.06 0.00 -1.10 0.00 0.00 41.96 40.39 1dfd s TYR 35 CO 0.59 -0.10 1.15 0.08 -2.51 0.00 0.00 175.55 174.76 1dfd s VAL 36 N -0.01 4.13 -0.19 -3.49 1.01 -1.25 -2.26 120.40 118.33 1dfd s VAL 36 Ca -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1dfd s VAL 36 Cb -0.02 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 1dfd s VAL 36 CO 0.00 -1.66 0.18 2.29 0.00 0.00 0.00 175.10 175.91 1dfd n LYS 37 N 8.26 5.22 -3.62 2.72 2.85 0.43 -4.67 118.16 129.35 1dfd n LYS 37 Ca 0.07 -0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 1dfd n LYS 37 Cb 0.48 -0.73 -0.12 0.00 -0.65 0.00 0.00 35.03 34.00 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 -1.48 3.26 0.41 -5.58 2.15 -1.12 -4.95 116.67 109.35 1dfd s ASP 38 Ca 0.01 -2.66 0.14 0.00 0.43 0.00 0.00 52.55 50.48 1dfd s ASP 38 Cb 0.03 -0.83 1.01 0.00 -0.30 0.00 0.00 42.92 42.83 1dfd s ASP 38 CO 0.18 -0.25 1.90 -0.37 -0.17 0.00 0.00 175.17 176.46 1dfd h VAL 39 N 5.05 0.79 0.00 1.11 -1.51 -1.89 0.68 116.25 120.48 1dfd h VAL 39 Ca 0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1dfd h VAL 39 Cb 0.92 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1dfd h VAL 39 CO 0.43 0.09 0.00 -0.62 -1.23 0.00 0.00 177.57 176.23 1dfd n GLU 40 N -4.50 0.17 0.00 5.19 1.02 -1.26 -1.99 120.64 119.27 1dfd n GLU 40 Ca 0.15 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1dfd n GLU 40 Cb 0.53 -1.83 0.72 0.00 -0.02 0.00 0.00 31.44 30.85 1dfd n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfd n GLY 41 N -0.06 -0.93 3.64 0.62 0.00 0.24 -4.73 105.19 103.96 1dfd n GLY 41 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.21 -1.90 0.79 4.61 0.00 -0.84 -3.10 121.76 119.11 1dfd s ALA 42 Ca 0.34 2.15 -0.12 0.00 0.00 0.00 0.00 51.96 54.33 1dfd s ALA 42 Cb 0.18 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.99 1dfd s ALA 42 CO 0.33 -0.34 1.12 -1.12 0.00 0.00 0.00 175.76 175.75 1dfd s SER 43 N 0.88 4.60 0.24 0.00 0.01 -1.26 -4.65 113.70 113.51 1dfd s SER 43 Ca -0.04 1.11 -0.06 0.00 1.31 0.00 0.00 55.95 58.28 1dfd s SER 43 Cb -0.05 -1.80 0.37 0.00 0.21 0.00 0.00 66.02 64.75 1dfd s SER 43 CO -0.09 -1.88 1.79 0.06 0.41 0.00 0.00 173.24 173.53 1dfd h GLN 44 N -1.03 0.67 0.00 12.44 3.07 -1.98 0.79 115.11 129.08 1dfd h GLN 44 Ca -0.47 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.23 1dfd h GLN 44 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.69 1dfd h GLN 44 CO 0.62 0.45 0.00 0.39 0.09 0.00 0.00 178.83 180.38 1dfd n GLU 45 N -4.80 0.04 -0.09 0.06 -0.58 -1.26 0.14 120.64 114.15 1dfd n GLU 45 Ca 0.12 0.31 -0.23 0.00 -0.42 0.00 0.00 57.16 56.95 1dfd n GLU 45 Cb 0.28 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.44 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 -1.67 0.65 -0.19 3.49 1.02 0.19 -2.47 120.64 121.67 1dfd n GLU 46 Ca 0.03 0.31 -0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1dfd n GLU 46 Cb 0.17 -1.62 0.24 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.44 1.20 0.59 2.62 2.07 0.69 0.24 116.25 123.22 1dfd h VAL 47 Ca -0.51 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1dfd h VAL 47 Cb 1.73 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1dfd h VAL 47 CO -0.14 0.21 -0.29 -0.33 0.02 0.00 0.00 177.57 177.04 1dfd h GLU 48 N 0.96 -0.77 -0.57 1.57 5.08 -0.44 0.02 114.58 120.44 1dfd h GLU 48 Ca 0.25 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1dfd h GLU 48 Cb -0.03 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 1dfd h GLU 48 CO -0.05 -0.50 0.08 1.49 -1.00 0.00 0.00 179.01 179.03 1dfd h GLU 49 N -1.19 0.19 0.00 2.33 4.81 -1.26 0.60 114.58 120.05 1dfd h GLU 49 Ca -0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1dfd h GLU 49 Cb 0.63 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1dfd h GLU 49 CO 0.13 0.13 -0.06 0.00 -0.73 0.00 0.00 179.01 178.48 1dfd h ALA 50 N 1.47 1.64 0.00 2.92 0.00 -0.53 -1.22 119.26 123.55 1dfd h ALA 50 Ca 0.29 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1dfd h ALA 50 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1dfd h ALA 50 CO -0.42 0.08 -0.39 1.98 0.00 0.00 0.00 179.25 180.50 1dfd h MET 51 N 0.00 0.00 -0.00 0.00 4.05 0.22 -2.89 114.93 116.31 1dfd h MET 51 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1dfd h MET 51 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1dfd h MET 51 CO 0.01 0.39 -0.62 -3.47 0.23 0.00 0.00 176.91 173.45 1dfd n ASP 52 N -3.66 0.96 0.10 1.39 -0.08 -0.51 -3.99 116.55 110.76 1dfd n ASP 52 Ca -0.01 -0.78 0.12 0.00 -1.51 0.00 0.00 54.79 52.61 1dfd n ASP 52 Cb 0.49 0.51 0.09 0.00 2.34 0.00 0.00 41.12 44.55 1dfd n ASP 52 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1dfd h THR 53 N 0.54 0.00 -4.02 5.18 2.02 -1.22 -3.46 112.91 111.94 1dfd h THR 53 Ca 0.00 -0.80 -0.51 0.00 0.77 0.00 0.00 66.41 65.88 1dfd h THR 53 Cb 0.54 1.39 0.06 0.00 -1.74 0.00 0.00 68.15 68.40 1dfd h THR 53 CO 0.00 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.36 1dfd h PRO 55 N 1.89 -0.09 -0.00 0.00 0.13 -1.93 -3.32 132.00 128.67 1dfd h PRO 55 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dfd h PRO 55 Cb 1.25 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1dfd h PRO 55 CO 0.60 -0.06 -0.02 0.28 -0.23 0.00 0.00 178.00 178.56 1dfd n VAL 56 N -3.92 0.00 -3.55 1.56 0.31 -1.26 -4.94 118.33 106.52 1dfd n VAL 56 Ca -0.01 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.12 1dfd n VAL 56 Cb 0.04 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1dfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dfd n GLN 57 N -1.27 -1.57 -0.68 5.55 6.02 -1.25 -4.82 117.38 119.35 1dfd n GLN 57 Ca 0.14 1.06 0.03 0.00 -0.01 0.00 0.00 57.00 58.21 1dfd n GLN 57 Cb 0.25 -3.22 0.28 0.00 1.02 0.00 0.00 30.24 28.58 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 -2.30 4.60 -0.11 0.00 2.07 -1.26 -1.43 121.20 122.78 1dfd s ILE 59 Ca 0.40 -0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.23 1dfd s ILE 59 Cb 0.31 -3.02 0.03 0.00 0.13 0.00 0.00 42.46 39.91 1dfd s ILE 59 CO 0.11 0.49 0.35 -1.00 -1.91 0.00 0.00 174.94 172.98 1dfd s HIS 60 N -1.03 -0.34 1.35 3.50 3.76 -0.98 -5.00 115.29 116.54 1dfd s HIS 60 Ca 0.18 0.80 -0.19 0.00 -0.15 0.00 0.00 55.06 55.69 1dfd s HIS 60 Cb -0.12 0.13 0.34 0.00 1.11 0.00 0.00 32.58 34.04 1dfd s HIS 60 CO 0.07 -0.24 0.90 0.91 -0.85 0.00 0.00 174.74 175.54 1dfd n TRP 61 N 2.51 -2.69 -3.85 1.40 7.02 -1.26 -2.15 117.44 118.41 1dfd n TRP 61 Ca -0.15 -0.51 -0.30 0.00 -1.02 0.00 0.00 57.50 55.52 1dfd n TRP 61 Cb 0.57 -1.49 -0.15 0.00 -2.42 0.00 0.00 31.31 27.82 1dfd n TRP 61 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1dfd s GLU 62 N -4.70 1.13 -0.41 -0.99 2.56 0.41 -4.57 118.70 112.14 1dfd s GLU 62 Ca 0.67 -1.17 -0.08 0.00 0.00 0.00 0.00 54.97 54.40 1dfd s GLU 62 Cb -0.18 -2.43 0.08 0.00 2.00 0.00 0.00 34.13 33.60 1dfd s GLU 62 CO 0.60 -0.84 0.24 0.34 -0.56 0.00 0.00 175.26 175.05 1dfd s ASP 63 N 1.42 5.52 0.00 -1.70 2.15 -1.26 -1.57 116.67 121.23 1dfd s ASP 63 Ca 0.05 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.42 1dfd s ASP 63 Cb -0.18 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1dfd s ASP 63 CO -0.15 -0.53 0.00 -1.84 -0.17 0.00 0.00 175.17 172.48