#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 -1.78 0.00 0.00 0.63 -1.25 -4.98 116.66 109.28 1dfd n ARG 2 Ca 0.00 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.26 1dfd n ARG 2 Cb 0.00 -3.29 0.00 0.00 0.45 0.00 0.00 32.46 29.62 1dfd n ARG 2 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1dfd n LYS 3 N -1.27 2.44 0.00 -0.14 4.81 0.16 -4.84 118.16 119.32 1dfd n LYS 3 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1dfd n LYS 3 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 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 0.00 0.00 -1.10 5.64 -1.74 -1.26 -1.77 117.46 117.23 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 -0.22 0.00 -4.32 2.97 4.11 -1.26 -4.63 117.16 113.81 1dfd n TYR 5 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 1dfd n TYR 5 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 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 -2.37 0.41 -0.50 -3.48 1.01 -1.26 -2.02 120.40 112.19 1dfd s VAL 6 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.00 1dfd s VAL 6 Cb 0.00 -2.57 0.13 0.00 0.00 0.00 0.00 36.38 33.94 1dfd s VAL 6 CO 0.00 0.00 0.26 -0.62 0.00 0.00 0.00 175.10 174.74 1dfd s ASP 7 N -3.33 4.65 0.00 3.32 2.15 -0.83 -4.76 116.67 117.87 1dfd s ASP 7 Ca 0.37 -2.77 -0.00 0.00 0.43 0.00 0.00 52.55 50.58 1dfd s ASP 7 Cb 0.06 -1.70 -0.01 0.00 -0.30 0.00 0.00 42.92 40.98 1dfd s ASP 7 CO 0.15 -0.31 0.45 0.00 -0.17 0.00 0.00 175.17 175.29 1dfd n GLN 8 N 3.49 0.18 -0.08 4.34 3.00 -1.26 -3.11 117.38 123.93 1dfd n GLN 8 Ca 0.05 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1dfd n GLN 8 Cb 0.36 -1.46 -0.12 0.00 0.00 0.00 0.00 30.24 29.01 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 2.16 1.26 -0.95 1.08 -0.08 -1.26 -4.42 116.55 114.34 1dfd n ASP 9 Ca 0.01 -0.02 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1dfd n ASP 9 Cb 0.09 0.69 0.24 0.00 2.34 0.00 0.00 41.12 44.48 1dfd n ASP 9 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1dfd n GLU 10 N -2.68 2.65 -2.88 -0.67 4.07 -1.18 -4.98 120.64 114.97 1dfd n GLU 10 Ca -0.28 -2.91 -0.41 0.00 -0.06 0.00 0.00 57.16 53.50 1dfd n GLU 10 Cb 1.00 -1.84 -0.04 0.00 -0.06 0.00 0.00 31.44 30.50 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 4.40 0.04 -2.17 0.00 -5.35 -1.26 -4.90 119.36 110.12 1dfd n ILE 12 Ca 0.04 -0.18 -0.02 0.00 -0.27 0.00 0.00 62.75 62.33 1dfd n ILE 12 Cb 0.50 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.21 -0.06 -2.31 -1.28 0.00 -1.26 -5.04 120.51 110.34 1dfd n ALA 13 Ca 0.19 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1dfd n ALA 13 Cb 0.25 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.52 1.61 0.00 0.00 1.02 -1.26 -4.48 120.64 117.01 1dfd n GLU 15 Ca 0.01 -1.33 -0.00 0.00 -0.02 0.00 0.00 57.16 55.82 1dfd n GLU 15 Cb 0.53 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1dfd n GLU 15 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dfd h SER 16 N 0.82 -0.00 -0.41 1.62 4.64 -1.94 -2.53 113.55 115.76 1dfd h SER 16 Ca 0.27 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.62 1dfd h SER 16 Cb 1.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.51 1dfd h SER 16 CO 0.56 0.00 0.21 0.00 -0.87 0.00 0.00 176.83 176.73 1dfd h VAL 18 N 0.43 0.77 -0.44 0.00 2.07 -1.76 0.28 116.25 117.60 1dfd h VAL 18 Ca 0.17 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1dfd h VAL 18 Cb 0.06 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1dfd h VAL 18 CO -0.11 0.13 -0.02 -0.08 0.02 0.00 0.00 177.57 177.51 1dfd h GLU 19 N 0.72 0.79 -0.23 1.57 4.22 -0.90 0.89 114.58 121.63 1dfd h GLU 19 Ca 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1dfd h GLU 19 Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1dfd h GLU 19 CO -0.34 0.86 0.00 -0.89 -2.18 0.00 0.00 179.01 176.47 1dfd n ILE 20 N -4.37 0.14 -2.67 2.32 -0.00 -0.35 -4.19 119.36 110.23 1dfd n ILE 20 Ca -0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 62.75 62.59 1dfd n ILE 20 Cb 0.32 -0.04 0.08 0.00 -0.00 0.00 0.00 39.64 39.99 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 -0.21 -3.42 1.39 -1.39 0.00 0.83 -4.43 120.51 113.27 1dfd n ALA 21 Ca 0.03 -0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.21 1dfd n ALA 21 Cb 0.12 -3.13 0.66 0.00 0.00 0.00 0.00 19.45 17.09 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 1.39 0.68 -0.04 0.00 -0.04 0.29 -1.28 135.00 136.00 1dfd n PRO 22 Ca 0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1dfd n PRO 22 Cb 0.71 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.42 -0.28 0.12 0.55 0.00 -1.25 -4.75 105.19 99.99 1dfd n GLY 23 Ca 0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.42 0.82 -2.87 4.61 0.00 -1.19 -4.31 120.51 115.16 1dfd n ALA 24 Ca -0.13 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.45 1dfd n ALA 24 Cb 0.71 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.43 3.54 -0.29 0.00 2.19 -0.41 -1.64 117.98 118.94 1dfd s PHE 25 Ca -0.27 0.39 -0.15 0.00 0.33 0.00 0.00 56.93 57.22 1dfd s PHE 25 Cb 0.06 -1.85 0.16 0.00 -1.31 0.00 0.00 43.02 40.07 1dfd s PHE 25 CO 0.65 0.61 0.99 0.00 1.83 0.00 0.00 175.22 179.31 1dfd s ALA 26 N -1.38 -2.50 0.72 11.12 0.00 -0.84 -4.40 121.76 124.48 1dfd s ALA 26 Ca 0.30 2.12 -0.16 0.00 0.00 0.00 0.00 51.96 54.22 1dfd s ALA 26 Cb -0.13 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1dfd s ALA 26 CO 0.21 -0.65 1.13 -0.12 0.00 0.00 0.00 175.76 176.33 1dfd n MET 27 N 4.32 0.61 -4.36 0.00 1.56 -1.26 -2.15 117.12 115.84 1dfd n MET 27 Ca -0.14 0.27 -0.19 0.00 -0.27 0.00 0.00 57.70 57.38 1dfd n MET 27 Cb 0.55 -2.38 -0.10 0.00 2.15 0.00 0.00 33.22 33.44 1dfd n MET 27 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1dfd s ASP 28 N -1.68 2.33 0.18 6.12 2.15 -0.57 -4.81 116.67 120.38 1dfd s ASP 28 Ca 0.76 -1.15 0.25 0.00 0.43 0.00 0.00 52.55 52.84 1dfd s ASP 28 Cb -0.34 -0.09 0.46 0.00 -0.30 0.00 0.00 42.92 42.64 1dfd s ASP 28 CO 0.47 -0.36 1.46 1.55 -0.17 0.00 0.00 175.17 178.12 1dfd h PRO 29 N 2.45 0.00 0.00 4.34 0.13 -1.94 3.86 132.00 140.84 1dfd h PRO 29 Ca -0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.45 1dfd h PRO 29 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1dfd h PRO 29 CO 0.65 0.00 -1.82 -1.91 -0.23 0.00 0.00 178.00 174.69 1dfd n GLU 30 N -2.27 0.64 -0.00 0.86 2.13 -1.26 -3.96 120.64 116.78 1dfd n GLU 30 Ca 0.04 0.22 0.09 0.00 0.66 0.00 0.00 57.16 58.16 1dfd n GLU 30 Cb 0.45 -1.73 -0.12 0.00 0.27 0.00 0.00 31.44 30.30 1dfd n GLU 30 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1dfd n ILE 31 N -2.95 0.00 -2.80 6.31 2.08 -1.21 -4.92 119.36 115.86 1dfd n ILE 31 Ca -0.19 -0.27 -0.10 0.00 0.56 0.00 0.00 62.75 62.74 1dfd n ILE 31 Cb 1.04 0.48 -0.01 0.00 -0.75 0.00 0.00 39.64 40.40 1dfd n ILE 31 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1dfd n GLU 32 N -1.82 -2.64 -3.54 0.38 1.02 1.27 -4.77 120.64 110.54 1dfd n GLU 32 Ca -0.00 0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 57.20 1dfd n GLU 32 Cb 0.39 -4.78 -0.05 0.00 -0.02 0.00 0.00 31.44 26.98 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 -5.36 1.06 0.62 3.49 1.02 -1.03 -4.77 119.74 114.78 1dfd s LYS 33 Ca 0.13 -0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.92 1dfd s LYS 33 Cb -0.08 0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1dfd s LYS 33 CO 0.17 -0.37 1.30 0.00 -0.92 0.00 0.00 175.35 175.53 1dfd n ALA 34 N 0.60 1.23 -3.27 5.17 0.00 -1.26 -1.51 120.51 121.46 1dfd n ALA 34 Ca -0.19 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1dfd n ALA 34 Cb 0.59 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.36 -0.29 -0.71 0.00 1.13 -0.92 -4.49 117.35 110.71 1dfd s TYR 35 Ca 0.80 0.57 -0.21 0.00 -1.41 0.00 0.00 57.07 56.82 1dfd s TYR 35 Cb -0.39 0.14 0.09 0.00 -1.10 0.00 0.00 41.96 40.69 1dfd s TYR 35 CO 0.43 -0.35 0.95 0.08 -2.51 0.00 0.00 175.55 174.15 1dfd s VAL 36 N -0.84 4.50 -0.06 -3.49 1.01 -1.25 -2.00 120.40 118.28 1dfd s VAL 36 Ca -0.09 -0.74 0.12 0.00 0.00 0.00 0.00 61.98 61.27 1dfd s VAL 36 Cb -0.04 -4.67 -0.18 0.00 0.00 0.00 0.00 36.38 31.49 1dfd s VAL 36 CO 0.04 -1.41 0.20 2.29 0.00 0.00 0.00 175.10 176.21 1dfd n LYS 37 N 7.21 1.00 -4.54 2.72 2.85 -0.65 -4.54 118.16 122.21 1dfd n LYS 37 Ca 0.01 -0.08 -0.33 0.00 -1.05 0.00 0.00 58.31 56.87 1dfd n LYS 37 Cb 0.46 -1.31 -0.16 0.00 -0.65 0.00 0.00 35.03 33.37 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 -3.87 3.36 -0.02 -5.58 2.15 -1.15 -4.99 116.67 106.57 1dfd s ASP 38 Ca -0.05 -0.55 0.01 0.00 0.43 0.00 0.00 52.55 52.39 1dfd s ASP 38 Cb 0.07 -1.50 -0.26 0.00 -0.30 0.00 0.00 42.92 40.93 1dfd s ASP 38 CO 0.52 0.07 0.77 -0.37 -0.17 0.00 0.00 175.17 176.00 1dfd h VAL 39 N 5.77 1.05 0.00 1.11 -1.51 -1.89 -3.30 116.25 117.48 1dfd h VAL 39 Ca -0.34 -2.76 0.00 0.00 -1.23 0.00 0.00 66.70 62.37 1dfd h VAL 39 Cb 1.18 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 32.99 1dfd h VAL 39 CO 0.57 0.76 -0.10 -1.84 -1.23 0.00 0.00 177.57 175.73 1dfd n GLU 40 N -3.35 0.02 0.27 5.19 0.00 -1.26 -3.37 120.64 118.14 1dfd n GLU 40 Ca -0.17 0.01 0.18 0.00 0.00 0.00 0.00 57.16 57.18 1dfd n GLU 40 Cb 1.04 -1.52 0.91 0.00 0.00 0.00 0.00 31.44 31.87 1dfd n GLU 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1dfd h GLY 41 N 4.97 0.00 -5.52 -1.84 0.00 -1.78 -3.41 103.07 95.48 1dfd h GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1dfd h GLY 41 CO 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.27 1dfd s ALA 42 N -3.84 -1.08 0.78 3.60 0.00 -1.22 -3.79 121.76 116.21 1dfd s ALA 42 Ca -0.02 1.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 1dfd s ALA 42 Cb 0.10 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1dfd s ALA 42 CO 0.40 -0.26 1.22 -1.12 0.00 0.00 0.00 175.76 176.01 1dfd s SER 43 N 1.14 3.75 0.25 0.00 0.01 -1.26 -4.36 113.70 113.24 1dfd s SER 43 Ca -0.07 2.40 -0.03 0.00 1.31 0.00 0.00 55.95 59.55 1dfd s SER 43 Cb -0.07 -2.59 0.51 0.00 0.21 0.00 0.00 66.02 64.07 1dfd s SER 43 CO -0.10 -2.56 1.70 0.06 0.41 0.00 0.00 173.24 172.75 1dfd h GLN 44 N -0.68 0.32 0.00 12.44 3.07 -1.98 1.63 115.11 129.91 1dfd h GLN 44 Ca -0.47 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1dfd h GLN 44 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1dfd h GLN 44 CO 0.47 0.21 0.00 0.93 0.09 0.00 0.00 178.83 180.53 1dfd h GLU 45 N 0.33 0.00 0.04 0.06 4.39 -1.98 0.33 114.58 117.74 1dfd h GLU 45 Ca 0.44 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.85 1dfd h GLU 45 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1dfd h GLU 45 CO -0.49 0.00 -1.57 0.39 -1.16 0.00 0.00 179.01 176.18 1dfd n GLU 46 N -2.76 0.62 -0.30 2.33 1.02 0.49 -2.37 120.64 119.68 1dfd n GLU 46 Ca -0.01 0.46 0.03 0.00 -0.02 0.00 0.00 57.16 57.63 1dfd n GLU 46 Cb 0.15 -1.72 0.23 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.68 1.09 0.54 2.62 2.07 0.81 0.35 116.25 123.06 1dfd h VAL 47 Ca -0.40 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1dfd h VAL 47 Cb 1.54 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1dfd h VAL 47 CO -0.14 0.19 -0.26 -0.33 0.02 0.00 0.00 177.57 177.05 1dfd h GLU 48 N 1.05 -0.70 -0.97 1.57 5.08 -0.49 0.30 114.58 120.43 1dfd h GLU 48 Ca 0.38 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.96 1dfd h GLU 48 Cb 0.14 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1dfd h GLU 48 CO -0.13 -0.47 0.57 0.93 -1.00 0.00 0.00 179.01 178.91 1dfd h GLU 49 N -1.10 0.71 0.00 2.33 5.08 -1.24 1.18 114.58 121.55 1dfd h GLU 49 Ca -0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dfd h GLU 49 Cb 0.56 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dfd h GLU 49 CO 0.12 0.47 -0.04 0.00 -1.00 0.00 0.00 179.01 178.56 1dfd h ALA 50 N 1.62 1.02 0.00 3.43 0.00 -0.25 -2.55 119.26 122.53 1dfd h ALA 50 Ca 0.55 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1dfd h ALA 50 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dfd h ALA 50 CO -0.38 0.05 -0.34 1.98 0.00 0.00 0.00 179.25 180.56 1dfd h MET 51 N 0.00 0.00 -0.42 0.00 4.05 0.35 -3.31 114.93 115.59 1dfd h MET 51 Ca -0.00 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1dfd h MET 51 Cb 0.50 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1dfd h MET 51 CO 0.01 0.90 0.29 0.22 0.23 0.00 0.00 176.91 178.55 1dfd h ASP 52 N -1.00 0.22 -0.17 1.39 1.82 -0.78 0.11 116.42 118.01 1dfd h ASP 52 Ca -0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1dfd h ASP 52 Cb 0.99 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1dfd h ASP 52 CO -0.06 0.14 0.10 0.71 -1.61 0.00 0.00 179.24 178.53 1dfd h THR 53 N 0.25 1.07 -2.48 2.25 1.35 -1.55 -3.42 112.91 110.38 1dfd h THR 53 Ca 0.19 -0.19 -0.55 0.00 -0.55 0.00 0.00 66.41 65.31 1dfd h THR 53 Cb 0.44 0.81 0.05 0.00 -1.73 0.00 0.00 68.15 67.73 1dfd h THR 53 CO -0.04 0.08 0.97 0.00 -0.25 0.00 0.00 175.52 176.28 1dfd h PRO 55 N 6.93 -0.20 0.00 0.00 0.13 -1.87 -3.18 132.00 133.81 1dfd h PRO 55 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1dfd h PRO 55 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1dfd h PRO 55 CO 0.93 0.24 0.00 0.28 -0.23 0.00 0.00 178.00 179.22 1dfd h VAL 56 N -0.82 0.00 -6.21 1.56 2.07 -1.90 -3.48 116.25 107.47 1dfd h VAL 56 Ca -0.02 -0.51 -0.29 0.00 0.82 0.00 0.00 66.70 66.70 1dfd h VAL 56 Cb 0.53 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1dfd h VAL 56 CO 0.04 0.00 -1.00 0.00 0.02 0.00 0.00 177.57 176.62 1dfd n GLN 57 N -2.33 -2.03 -0.43 1.57 6.02 -1.21 -4.82 117.38 114.15 1dfd n GLN 57 Ca 0.05 1.59 0.06 0.00 -0.01 0.00 0.00 57.00 58.69 1dfd n GLN 57 Cb 0.43 -3.08 0.24 0.00 1.02 0.00 0.00 30.24 28.85 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 -1.81 2.58 0.00 0.00 1.10 -1.26 -1.96 121.20 119.85 1dfd s ILE 59 Ca 0.33 0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.67 1dfd s ILE 59 Cb 0.22 -2.46 0.00 0.00 0.15 0.00 0.00 42.46 40.37 1dfd s ILE 59 CO 0.15 -0.23 0.00 1.41 -2.11 0.00 0.00 174.94 174.15 1dfd n HIS 60 N -3.76 0.00 -0.93 3.50 8.25 -0.86 -4.83 115.22 116.60 1dfd n HIS 60 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1dfd n HIS 60 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.58 1dfd n HIS 60 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1dfd n TRP 61 N -1.00 -2.47 -3.46 4.41 7.02 -1.18 -4.87 117.44 115.90 1dfd n TRP 61 Ca 0.00 1.34 -0.25 0.00 -1.02 0.00 0.00 57.50 57.57 1dfd n TRP 61 Cb 0.11 -2.24 -0.12 0.00 -2.42 0.00 0.00 31.31 26.63 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 -3.46 0.39 0.22 -0.99 2.12 -0.73 -4.47 118.70 111.77 1dfd s GLU 62 Ca 0.00 -0.72 -0.08 0.00 0.36 0.00 0.00 54.97 54.53 1dfd s GLU 62 Cb 0.00 -1.02 0.25 0.00 0.26 0.00 0.00 34.13 33.62 1dfd s GLU 62 CO 0.00 -1.10 1.85 -0.44 -0.54 0.00 0.00 175.26 175.03 1dfd h ASP 63 N 7.78 0.78 0.00 -1.70 3.32 -1.91 0.46 116.42 125.16 1dfd h ASP 63 Ca -0.07 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1dfd h ASP 63 Cb 1.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1dfd h ASP 63 CO 0.33 0.53 0.00 1.21 -1.72 0.00 0.00 179.24 179.59