#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfd s ARG 2 N 0.00 -1.16 0.00 0.00 0.52 -1.26 -4.97 118.95 112.08 1dfd s ARG 2 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1dfd s ARG 2 Cb 0.00 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1dfd s ARG 2 CO 0.00 -3.81 0.00 1.17 0.02 0.00 0.00 175.30 172.68 1dfd n LYS 3 N -4.93 1.21 -3.13 3.54 3.00 0.12 -4.97 118.16 112.99 1dfd n LYS 3 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1dfd n LYS 3 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 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 -0.79 5.64 -1.74 -1.25 -0.46 117.46 118.85 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 0.88 0.00 -4.10 2.97 4.11 0.05 -4.60 117.16 116.48 1dfd n TYR 5 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.82 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 -2.22 0.28 -0.94 -3.48 1.01 -1.26 -1.36 120.40 112.42 1dfd s VAL 6 Ca 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.18 1dfd s VAL 6 Cb 0.00 -1.48 0.28 0.00 0.00 0.00 0.00 36.38 35.18 1dfd s VAL 6 CO 0.00 -0.96 1.15 0.47 0.00 0.00 0.00 175.10 175.77 1dfd n ASP 7 N 0.16 5.31 -0.04 3.32 9.92 -0.88 -4.63 116.55 129.71 1dfd n ASP 7 Ca -0.14 -3.35 0.21 0.00 -0.53 0.00 0.00 54.79 50.98 1dfd n ASP 7 Cb 0.61 -1.09 0.38 0.00 -0.64 0.00 0.00 41.12 40.38 1dfd n ASP 7 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1dfd h GLN 8 N 5.29 0.00 -0.99 -1.24 -0.00 -1.86 0.78 115.11 117.10 1dfd h GLN 8 Ca 0.19 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 59.05 1dfd h GLN 8 Cb 0.68 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.06 1dfd h GLN 8 CO 1.10 0.00 0.62 0.22 -0.00 0.00 0.00 178.83 180.77 1dfd h ASP 9 N 0.00 0.66 1.80 0.06 3.58 -1.88 0.88 116.42 121.52 1dfd h ASP 9 Ca 0.33 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1dfd h ASP 9 Cb 2.46 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.48 1dfd h ASP 9 CO -0.00 0.22 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.30 1dfd h GLU 10 N 0.64 0.00 -6.27 0.28 4.81 0.22 -3.45 114.58 110.81 1dfd h GLU 10 Ca 0.57 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 59.13 1dfd h GLU 10 Cb 1.05 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.46 1dfd h GLU 10 CO -0.34 0.00 0.84 0.00 -0.73 0.00 0.00 179.01 178.78 1dfd h ILE 12 N 4.61 1.57 0.00 0.00 3.07 -1.88 -3.48 117.51 121.39 1dfd h ILE 12 Ca -0.47 -1.85 0.00 0.00 1.55 0.00 0.00 64.86 64.09 1dfd h ILE 12 Cb 1.30 2.77 0.00 0.00 -0.27 0.00 0.00 36.82 40.61 1dfd h ILE 12 CO 0.90 0.49 0.00 0.00 -1.05 0.00 0.00 178.15 178.50 1dfd n ALA 13 N -2.51 0.00 -0.83 0.16 0.00 -1.26 -5.08 120.51 111.00 1dfd n ALA 13 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1dfd n ALA 13 Cb 0.44 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.63 1.09 -0.21 0.00 0.28 -1.26 -4.79 120.64 114.12 1dfd n GLU 15 Ca 0.07 -2.43 -0.11 0.00 -0.16 0.00 0.00 57.16 54.53 1dfd n GLU 15 Cb 0.53 -1.31 -0.07 0.00 1.43 0.00 0.00 31.44 32.02 1dfd n GLU 15 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1dfd h SER 16 N 0.18 -1.77 -0.06 -1.84 0.02 -1.91 0.72 113.55 108.90 1dfd h SER 16 Ca -0.01 0.26 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1dfd h SER 16 Cb 1.09 0.76 -0.06 0.00 0.14 0.00 0.00 62.40 64.34 1dfd h SER 16 CO 0.00 -0.35 -0.49 0.00 -1.14 0.00 0.00 176.83 174.85 1dfd h VAL 18 N -0.60 0.29 -0.27 0.00 2.07 -1.32 1.24 116.25 117.66 1dfd h VAL 18 Ca 0.04 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 1dfd h VAL 18 Cb 0.68 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1dfd h VAL 18 CO -0.38 0.03 -0.56 -0.33 0.02 0.00 0.00 177.57 176.35 1dfd h GLU 19 N 0.16 0.84 -0.72 1.57 4.39 0.20 2.07 114.58 123.09 1dfd h GLU 19 Ca 0.71 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1dfd h GLU 19 Cb 2.29 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.00 1dfd h GLU 19 CO -0.26 1.17 0.00 -0.89 -1.16 0.00 0.00 179.01 177.87 1dfd n ILE 20 N -4.00 0.85 0.00 3.13 5.41 0.39 -4.30 119.36 120.84 1dfd n ILE 20 Ca -0.04 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1dfd n ILE 20 Cb 0.63 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 0.24 0.00 1.09 -1.39 0.00 0.87 -4.27 120.51 117.04 1dfd n ALA 21 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1dfd n ALA 21 Cb 0.51 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.49 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 0.48 0.00 0.00 -0.04 0.69 -1.42 135.00 134.72 1dfd n PRO 22 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1dfd n PRO 22 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.24 -0.35 0.19 0.55 0.00 -1.26 -4.50 105.19 100.07 1dfd n GLY 23 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 1.43 -3.25 4.61 0.00 -1.29 -3.34 119.26 115.43 1dfd h ALA 24 Ca 0.00 -0.31 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 1dfd h ALA 24 Cb 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.57 1dfd h ALA 24 CO 0.00 0.43 -0.59 0.12 0.00 0.00 0.00 179.25 179.21 1dfd s PHE 25 N -4.27 3.21 -0.29 0.00 2.19 -0.51 0.18 117.98 118.48 1dfd s PHE 25 Ca -0.03 0.07 -0.14 0.00 0.33 0.00 0.00 56.93 57.16 1dfd s PHE 25 Cb 0.15 -1.96 0.14 0.00 -1.31 0.00 0.00 43.02 40.04 1dfd s PHE 25 CO 0.72 0.26 0.87 0.00 1.83 0.00 0.00 175.22 178.90 1dfd s ALA 26 N -0.12 -2.34 0.77 11.12 0.00 -0.80 -4.14 121.76 126.25 1dfd s ALA 26 Ca 0.06 2.21 -0.14 0.00 0.00 0.00 0.00 51.96 54.09 1dfd s ALA 26 Cb -0.12 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.24 1dfd s ALA 26 CO 0.02 -0.71 1.19 0.00 0.00 0.00 0.00 175.76 176.26 1dfd s MET 27 N 2.15 1.89 0.21 0.00 0.23 -1.26 -2.31 119.30 120.21 1dfd s MET 27 Ca -0.06 1.70 0.06 0.00 -1.03 0.00 0.00 55.69 56.36 1dfd s MET 27 Cb -0.07 -1.81 -0.05 0.00 -1.53 0.00 0.00 34.83 31.37 1dfd s MET 27 CO -0.17 -2.01 -0.09 0.34 -2.03 0.00 0.00 175.02 171.05 1dfd s ASP 28 N -2.22 2.33 0.26 -1.18 2.15 -0.99 -4.79 116.67 112.22 1dfd s ASP 28 Ca 0.72 -1.09 0.24 0.00 0.43 0.00 0.00 52.55 52.85 1dfd s ASP 28 Cb -0.27 -0.09 0.30 0.00 -0.30 0.00 0.00 42.92 42.55 1dfd s ASP 28 CO 0.49 -0.30 1.39 1.55 -0.17 0.00 0.00 175.17 178.13 1dfd h PRO 29 N 2.53 0.00 0.04 4.34 0.13 -1.94 2.85 132.00 139.95 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 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1dfd h PRO 29 CO 0.64 0.00 -1.73 1.49 -0.23 0.00 0.00 178.00 178.17 1dfd h GLU 30 N 0.00 0.08 -0.14 0.86 4.81 -1.97 -3.30 114.58 114.91 1dfd h GLU 30 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1dfd h GLU 30 Cb 0.91 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1dfd h GLU 30 CO 0.00 0.73 0.00 0.44 -0.73 0.00 0.00 179.01 179.45 1dfd n ILE 31 N -3.19 0.22 -2.69 2.32 -5.35 -1.21 -4.95 119.36 104.50 1dfd n ILE 31 Ca -0.20 -0.61 -0.12 0.00 -0.27 0.00 0.00 62.75 61.55 1dfd n ILE 31 Cb 1.05 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 40.11 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 1.06 -0.93 -3.61 6.28 1.02 0.95 -4.65 120.64 120.76 1dfd n GLU 32 Ca 0.12 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1dfd n GLU 32 Cb 0.47 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 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 -3.50 0.40 0.39 3.49 1.02 -1.02 -4.80 119.74 115.72 1dfd s LYS 33 Ca 0.17 0.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.05 1dfd s LYS 33 Cb -0.10 0.19 -0.11 0.00 -0.52 0.00 0.00 37.83 37.29 1dfd s LYS 33 CO 0.32 -0.12 1.17 0.00 -0.92 0.00 0.00 175.35 175.81 1dfd n ALA 34 N 0.86 0.82 -3.01 5.17 0.00 -1.26 -2.34 120.51 120.74 1dfd n ALA 34 Ca -0.08 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1dfd n ALA 34 Cb 0.58 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.19 0.10 -0.46 0.00 1.13 -0.98 -4.01 117.35 111.95 1dfd s TYR 35 Ca 0.60 -0.27 -0.21 0.00 -1.41 0.00 0.00 57.07 55.79 1dfd s TYR 35 Cb -0.55 -0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.25 1dfd s TYR 35 CO 0.59 -0.29 0.69 0.08 -2.51 0.00 0.00 175.55 174.10 1dfd s VAL 36 N -1.66 4.77 0.05 -3.49 1.01 -1.25 -1.91 120.40 117.92 1dfd s VAL 36 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1dfd s VAL 36 Cb -0.07 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1dfd s VAL 36 CO -0.00 -0.68 0.00 0.29 0.00 0.00 0.00 175.10 174.71 1dfd n LYS 37 N 6.43 0.00 -2.30 2.72 4.76 0.47 -4.62 118.16 125.61 1dfd n LYS 37 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1dfd n LYS 37 Cb 0.48 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1dfd n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dfd n ASP 38 N -3.07 4.84 -0.33 4.39 -0.08 -1.14 -4.78 116.55 116.39 1dfd n ASP 38 Ca 0.00 -3.03 0.20 0.00 -1.51 0.00 0.00 54.79 50.45 1dfd n ASP 38 Cb 0.24 -1.54 0.41 0.00 2.34 0.00 0.00 41.12 42.57 1dfd n ASP 38 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1dfd h VAL 39 N 4.01 0.41 0.00 5.18 -1.51 -1.88 2.28 116.25 124.74 1dfd h VAL 39 Ca 0.42 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1dfd h VAL 39 Cb 0.68 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 1dfd h VAL 39 CO 1.62 0.08 0.00 -0.33 -1.23 0.00 0.00 177.57 177.71 1dfd h GLU 40 N 0.42 0.00 0.00 5.19 4.39 -1.96 -1.60 114.58 121.03 1dfd h GLU 40 Ca 0.67 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.36 1dfd h GLU 40 Cb 1.40 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1dfd h GLU 40 CO -0.55 0.00 -0.07 0.78 -1.16 0.00 0.00 179.01 178.01 1dfd h GLY 41 N 1.34 0.00 -5.64 -3.84 0.00 0.35 -3.43 103.07 91.84 1dfd h GLY 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1dfd h GLY 41 CO 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.75 1dfd s ALA 42 N -3.57 0.89 1.00 3.60 0.00 -0.60 -3.99 121.76 119.09 1dfd s ALA 42 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1dfd s ALA 42 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1dfd s ALA 42 CO 0.59 0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.91 1dfd n SER 43 N 3.41 -0.05 -0.03 0.00 7.64 -1.26 -4.56 113.62 118.77 1dfd n SER 43 Ca -0.19 -0.67 -0.13 0.00 1.01 0.00 0.00 58.87 58.88 1dfd n SER 43 Cb 0.54 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1dfd n SER 43 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1dfd h GLN 44 N 0.00 0.04 0.00 1.43 4.20 -1.97 0.81 115.11 119.61 1dfd h GLN 44 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1dfd h GLN 44 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1dfd h GLN 44 CO 0.00 0.60 0.00 -0.85 -0.67 0.00 0.00 178.83 177.91 1dfd n GLU 45 N -4.78 0.13 -0.02 1.46 0.00 -1.26 0.04 120.64 116.21 1dfd n GLU 45 Ca -0.09 0.29 -0.22 0.00 0.00 0.00 0.00 57.16 57.15 1dfd n GLU 45 Cb 0.30 -1.71 -0.13 0.00 0.00 0.00 0.00 31.44 29.89 1dfd n GLU 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1dfd n GLU 46 N -1.95 0.72 -0.05 3.44 1.02 -1.12 -1.65 120.64 121.04 1dfd n GLU 46 Ca 0.04 0.32 -0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1dfd n GLU 46 Cb 0.26 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 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 -0.14 1.18 0.48 2.62 2.07 0.97 -0.15 116.25 123.28 1dfd h VAL 47 Ca -0.42 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1dfd h VAL 47 Cb 1.89 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1dfd h VAL 47 CO 0.02 0.18 -0.23 -0.33 0.02 0.00 0.00 177.57 177.23 1dfd h GLU 48 N 0.13 -0.62 -0.81 1.57 5.08 -0.54 0.38 114.58 119.79 1dfd h GLU 48 Ca 0.06 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1dfd h GLU 48 Cb 0.22 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 1dfd h GLU 48 CO -0.00 -0.41 -0.28 0.93 -1.00 0.00 0.00 179.01 178.24 1dfd h GLU 49 N -0.95 -0.04 0.00 2.33 5.08 -1.36 2.34 114.58 121.97 1dfd h GLU 49 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1dfd h GLU 49 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1dfd h GLU 49 CO 0.11 -0.03 -0.22 0.00 -1.00 0.00 0.00 179.01 177.87 1dfd h ALA 50 N 1.51 1.43 0.00 3.43 0.00 -1.02 -1.82 119.26 122.78 1dfd h ALA 50 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1dfd h ALA 50 Cb 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dfd h ALA 50 CO -0.84 0.27 -0.14 1.98 0.00 0.00 0.00 179.25 180.52 1dfd h MET 51 N 0.00 0.00 0.00 0.00 1.85 0.80 -3.13 114.93 114.45 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 0.44 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.47 1dfd h MET 51 CO 0.03 0.14 -1.01 -3.47 -0.40 0.00 0.00 176.91 172.20 1dfd n ASP 52 N -3.17 0.63 -4.09 1.39 2.03 0.20 -4.51 116.55 109.02 1dfd n ASP 52 Ca 0.02 -0.06 -0.43 0.00 0.52 0.00 0.00 54.79 54.84 1dfd n ASP 52 Cb 0.52 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 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 -2.11 4.49 -3.69 5.18 -2.24 -0.91 -4.91 114.28 110.09 1dfd n THR 53 Ca 0.01 -4.80 -0.10 0.00 -2.27 0.00 0.00 64.05 56.89 1dfd n THR 53 Cb 0.46 -2.36 -0.11 0.00 -2.10 0.00 0.00 70.33 66.22 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfd n PRO 55 N 4.44 2.04 0.00 0.00 -0.04 -1.26 -2.92 135.00 137.26 1dfd n PRO 55 Ca -0.21 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1dfd n PRO 55 Cb 0.54 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1dfd n PRO 55 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1dfd n VAL 56 N 3.09 0.00 -2.98 0.52 3.14 -1.26 -5.02 118.33 115.82 1dfd n VAL 56 Ca 0.44 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.79 1dfd n VAL 56 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 1dfd n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1dfd n GLN 57 N 0.00 -1.62 -0.07 1.45 6.02 -1.15 -4.87 117.38 117.14 1dfd n GLN 57 Ca 0.00 1.68 0.05 0.00 -0.01 0.00 0.00 57.00 58.72 1dfd n GLN 57 Cb 0.00 -5.71 0.21 0.00 1.02 0.00 0.00 30.24 25.77 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 -1.82 4.04 -0.23 0.00 2.07 -1.26 -2.07 121.20 121.93 1dfd s ILE 59 Ca 0.18 0.91 -0.10 0.00 -1.41 0.00 0.00 60.65 60.22 1dfd s ILE 59 Cb 0.09 -3.48 0.09 0.00 0.13 0.00 0.00 42.46 39.29 1dfd s ILE 59 CO 0.13 -0.62 0.53 -1.00 -1.91 0.00 0.00 174.94 172.07 1dfd s HIS 60 N -2.61 -0.92 1.04 3.50 3.76 -0.47 -4.91 115.29 114.68 1dfd s HIS 60 Ca 0.61 1.77 -0.15 0.00 -0.15 0.00 0.00 55.06 57.15 1dfd s HIS 60 Cb -0.14 0.48 0.21 0.00 1.11 0.00 0.00 32.58 34.24 1dfd s HIS 60 CO 0.39 -0.49 1.15 -1.58 -0.85 0.00 0.00 174.74 173.36 1dfd s TRP 61 N 2.08 1.60 -0.24 1.40 0.52 -1.26 -0.77 118.94 122.27 1dfd s TRP 61 Ca -0.07 0.67 -0.03 0.00 0.02 0.00 0.00 56.10 56.69 1dfd s TRP 61 Cb -0.09 -3.50 0.11 0.00 -1.15 0.00 0.00 33.47 28.83 1dfd s TRP 61 CO -0.16 -3.03 0.23 -2.00 0.02 0.00 0.00 176.95 172.01 1dfd s GLU 62 N -5.36 0.23 -0.36 4.98 2.56 0.39 -4.62 118.70 116.51 1dfd s GLU 62 Ca 0.68 0.03 0.03 0.00 0.00 0.00 0.00 54.97 55.71 1dfd s GLU 62 Cb -0.12 -1.06 0.10 0.00 2.00 0.00 0.00 34.13 35.05 1dfd s GLU 62 CO 0.55 -0.80 0.09 0.34 -0.56 0.00 0.00 175.26 174.88 1dfd s ASP 63 N 2.31 4.81 0.00 -1.70 2.15 -1.26 0.12 116.67 123.10 1dfd s ASP 63 Ca 0.08 -2.20 0.26 0.00 0.43 0.00 0.00 52.55 51.12 1dfd s ASP 63 Cb -0.15 -1.66 0.66 0.00 -0.30 0.00 0.00 42.92 41.46 1dfd s ASP 63 CO -0.20 -0.39 1.52 -0.62 -0.17 0.00 0.00 175.17 175.31