#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 3.17 0.00 0.00 3.03 -1.26 -4.55 118.95 119.34 1dfd s ARG 2 Ca 0.00 -0.62 0.00 0.00 2.03 0.00 0.00 55.73 57.14 1dfd s ARG 2 Cb 0.00 -4.18 0.00 0.00 -1.03 0.00 0.00 34.95 29.74 1dfd s ARG 2 CO 0.00 -1.78 0.00 1.17 -1.13 0.00 0.00 175.30 173.56 1dfd n LYS 3 N 7.87 3.45 0.00 3.89 4.81 0.20 -4.92 118.16 133.46 1dfd n LYS 3 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1dfd n LYS 3 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 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 -1.78 5.64 1.16 -1.25 -1.87 117.46 119.36 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 -0.57 0.00 -4.33 2.97 4.11 -0.71 -4.61 117.16 114.01 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 -2.58 0.78 -0.58 -3.48 1.01 -1.26 -2.25 120.40 112.03 1dfd s VAL 6 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1dfd s VAL 6 Cb 0.00 -2.55 0.15 0.00 0.00 0.00 0.00 36.38 33.98 1dfd s VAL 6 CO 0.00 -0.12 0.36 -0.62 0.00 0.00 0.00 175.10 174.72 1dfd s ASP 7 N -3.33 4.80 0.00 3.32 2.15 0.18 -4.89 116.67 118.90 1dfd s ASP 7 Ca 0.34 -2.97 -0.00 0.00 0.43 0.00 0.00 52.55 50.35 1dfd s ASP 7 Cb 0.07 -1.75 -0.01 0.00 -0.30 0.00 0.00 42.92 40.93 1dfd s ASP 7 CO 0.12 -0.30 0.48 0.00 -0.17 0.00 0.00 175.17 175.30 1dfd n GLN 8 N 3.26 0.20 -0.08 4.34 3.00 -1.26 -3.16 117.38 123.68 1dfd n GLN 8 Ca 0.07 -0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1dfd n GLN 8 Cb 0.35 -1.46 -0.15 0.00 0.00 0.00 0.00 30.24 28.98 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 2.15 0.27 -0.20 1.08 -0.08 -1.26 -4.38 116.55 114.12 1dfd n ASP 9 Ca 0.02 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.39 1dfd n ASP 9 Cb 0.10 1.14 0.16 0.00 2.34 0.00 0.00 41.12 44.85 1dfd n ASP 9 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1dfd n GLU 10 N -2.63 1.41 -2.51 -0.67 1.02 -1.19 -5.02 120.64 111.05 1dfd n GLU 10 Ca -0.27 -2.72 -0.43 0.00 -0.02 0.00 0.00 57.16 53.73 1dfd n GLU 10 Cb 1.03 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 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 5.00 0.38 -2.15 0.00 -5.35 -1.26 -4.85 119.36 111.13 1dfd n ILE 12 Ca 0.12 0.10 -0.00 0.00 -0.27 0.00 0.00 62.75 62.69 1dfd n ILE 12 Cb 0.46 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 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 -1.29 -0.01 -2.70 -1.28 0.00 -1.26 -5.05 120.51 108.92 1dfd n ALA 13 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 1dfd n ALA 13 Cb 0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.25 1.16 0.00 0.00 0.28 -1.26 -4.48 120.64 116.09 1dfd n GLU 15 Ca -0.03 -0.24 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 1dfd n GLU 15 Cb 0.53 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.16 1dfd n GLU 15 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1dfd n SER 16 N -0.48 0.00 -0.11 -1.84 7.64 -1.26 0.16 113.62 117.72 1dfd n SER 16 Ca 0.11 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 1dfd n SER 16 Cb 0.10 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.34 0.26 0.24 0.00 2.07 -1.71 0.37 116.25 117.15 1dfd h VAL 18 Ca 0.13 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.31 1dfd h VAL 18 Cb 0.59 0.36 0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1dfd h VAL 18 CO -0.56 0.00 -1.52 -0.33 0.02 0.00 0.00 177.57 175.18 1dfd h GLU 19 N 0.00 0.51 -0.44 1.57 5.08 0.71 0.26 114.58 122.27 1dfd h GLU 19 Ca 0.43 -0.88 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1dfd h GLU 19 Cb 2.10 0.33 0.00 0.00 0.50 0.00 0.00 28.75 31.68 1dfd h GLU 19 CO -0.00 1.42 0.00 -0.89 -1.00 0.00 0.00 179.01 178.54 1dfd n ILE 20 N -3.71 0.35 0.00 3.13 5.41 0.11 -4.25 119.36 120.40 1dfd n ILE 20 Ca -0.18 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1dfd n ILE 20 Cb 1.10 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.92 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 0.02 0.00 1.42 -1.39 0.00 0.05 -4.29 120.51 116.33 1dfd n ALA 21 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1dfd n ALA 21 Cb 0.25 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.27 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 0.71 -0.12 0.00 -0.04 0.91 -1.58 135.00 134.88 1dfd n PRO 22 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1dfd n PRO 22 Cb 0.00 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.39 -0.47 0.11 0.55 0.00 -1.05 -4.65 105.19 100.06 1dfd n GLY 23 Ca 0.14 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.44 0.23 -2.82 4.61 0.00 0.67 -3.39 119.26 118.12 1dfd h ALA 24 Ca -0.59 -1.12 -0.59 0.00 0.00 0.00 0.00 54.91 52.61 1dfd h ALA 24 Cb 1.74 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 20.05 1dfd h ALA 24 CO -0.22 0.73 -0.17 0.12 0.00 0.00 0.00 179.25 179.71 1dfd s PHE 25 N -2.40 3.62 -0.28 0.00 2.19 -0.62 -1.61 117.98 118.88 1dfd s PHE 25 Ca -0.25 0.94 -0.08 0.00 0.33 0.00 0.00 56.93 57.87 1dfd s PHE 25 Cb 0.05 -2.42 0.13 0.00 -1.31 0.00 0.00 43.02 39.46 1dfd s PHE 25 CO 0.67 0.40 0.58 0.00 1.83 0.00 0.00 175.22 178.70 1dfd s ALA 26 N -0.21 -1.84 0.63 11.12 0.00 -0.98 -4.26 121.76 126.21 1dfd s ALA 26 Ca 0.24 2.06 -0.18 0.00 0.00 0.00 0.00 51.96 54.08 1dfd s ALA 26 Cb -0.16 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 1dfd s ALA 26 CO 0.12 -0.94 1.25 -1.33 0.00 0.00 0.00 175.76 174.85 1dfd n MET 27 N 5.43 1.13 -4.38 0.00 2.81 -1.26 -2.20 117.12 118.65 1dfd n MET 27 Ca -0.10 0.44 -0.19 0.00 -1.81 0.00 0.00 57.70 56.04 1dfd n MET 27 Cb 0.49 -2.48 -0.10 0.00 -0.71 0.00 0.00 33.22 30.42 1dfd n MET 27 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1dfd s ASP 28 N -1.32 2.54 0.23 7.83 2.15 -0.89 -4.80 116.67 122.42 1dfd s ASP 28 Ca 0.81 -1.13 0.24 0.00 0.43 0.00 0.00 52.55 52.90 1dfd s ASP 28 Cb -0.39 -0.13 0.45 0.00 -0.30 0.00 0.00 42.92 42.55 1dfd s ASP 28 CO 0.42 -0.31 1.50 1.55 -0.17 0.00 0.00 175.17 178.16 1dfd h PRO 29 N 2.42 0.00 0.16 4.34 0.13 -1.94 3.45 132.00 140.56 1dfd h PRO 29 Ca -0.39 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.40 1dfd h PRO 29 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dfd h PRO 29 CO 0.65 0.00 -1.76 1.49 -0.23 0.00 0.00 178.00 178.15 1dfd h GLU 30 N 0.00 0.33 -0.02 0.86 4.57 -1.96 -3.32 114.58 115.04 1dfd h GLU 30 Ca 0.00 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1dfd h GLU 30 Cb 0.84 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1dfd h GLU 30 CO 0.00 1.24 -0.20 0.44 -1.18 0.00 0.00 179.01 179.31 1dfd n ILE 31 N -3.53 0.00 -3.03 2.32 -5.35 -1.21 -4.92 119.36 103.64 1dfd n ILE 31 Ca -0.24 -0.40 -0.19 0.00 -0.27 0.00 0.00 62.75 61.64 1dfd n ILE 31 Cb 1.07 1.35 -0.04 0.00 -1.74 0.00 0.00 39.64 40.28 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 -1.41 -3.54 6.28 -0.58 1.14 -4.72 120.64 118.43 1dfd n GLU 32 Ca 0.10 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.74 1dfd n GLU 32 Cb 0.48 -3.33 -0.06 0.00 -0.57 0.00 0.00 31.44 27.96 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 -4.77 0.96 0.48 3.49 1.02 -1.03 -4.77 119.74 115.11 1dfd s LYS 33 Ca 0.38 0.34 -0.24 0.00 0.02 0.00 0.00 55.97 56.46 1dfd s LYS 33 Cb -0.22 0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 37.47 1dfd s LYS 33 CO 0.46 -0.28 1.34 0.00 -0.92 0.00 0.00 175.35 175.95 1dfd n ALA 34 N 1.12 1.59 -2.98 5.17 0.00 -1.26 -2.08 120.51 122.06 1dfd n ALA 34 Ca -0.17 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1dfd n ALA 34 Cb 0.57 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.24 -0.09 -1.15 0.00 1.13 -0.94 -4.68 117.35 110.39 1dfd s TYR 35 Ca 0.65 0.23 -0.09 0.00 -1.41 0.00 0.00 57.07 56.44 1dfd s TYR 35 Cb -0.46 0.03 -0.07 0.00 -1.10 0.00 0.00 41.96 40.36 1dfd s TYR 35 CO 0.55 -0.05 2.35 1.55 -2.51 0.00 0.00 175.55 177.45 1dfd n VAL 36 N 3.06 3.00 0.32 -3.49 3.14 -1.25 -2.32 118.33 120.79 1dfd n VAL 36 Ca -0.13 -1.90 0.15 0.00 -2.96 0.00 0.00 64.34 59.51 1dfd n VAL 36 Cb 0.59 -2.32 0.58 0.00 -1.06 0.00 0.00 33.84 31.63 1dfd n VAL 36 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1dfd h LYS 37 N 6.06 0.00 -2.32 1.45 5.09 -1.64 -3.34 116.57 121.86 1dfd h LYS 37 Ca 0.61 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 60.76 1dfd h LYS 37 Cb 0.27 0.00 -0.39 0.00 0.10 0.00 0.00 32.23 32.21 1dfd h LYS 37 CO 1.63 0.00 -0.93 -3.47 -2.09 0.00 0.00 179.45 174.59 1dfd n ASP 38 N -2.83 0.65 0.13 7.07 2.03 -1.05 -4.92 116.55 117.63 1dfd n ASP 38 Ca 0.01 -2.70 0.19 0.00 0.52 0.00 0.00 54.79 52.81 1dfd n ASP 38 Cb 0.31 -0.62 0.72 0.00 -0.72 0.00 0.00 41.12 40.81 1dfd n ASP 38 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1dfd h VAL 39 N 3.57 0.26 -0.08 5.18 -1.51 -1.82 1.89 116.25 123.73 1dfd h VAL 39 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1dfd h VAL 39 Cb 0.85 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1dfd h VAL 39 CO 0.50 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.22 1dfd n GLU 40 N -3.47 1.71 -1.07 5.19 1.02 -1.26 -4.00 120.64 118.76 1dfd n GLU 40 Ca 0.06 -1.05 -0.23 0.00 -0.02 0.00 0.00 57.16 55.92 1dfd n GLU 40 Cb 0.64 -1.45 0.11 0.00 -0.02 0.00 0.00 31.44 30.72 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 1.16 4.58 3.49 0.62 0.00 0.64 -4.83 105.19 110.85 1dfd n GLY 41 Ca 0.18 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.85 -2.93 1.08 4.61 0.00 -1.26 0.10 121.76 120.52 1dfd s ALA 42 Ca 0.49 1.89 -0.12 0.00 0.00 0.00 0.00 51.96 54.22 1dfd s ALA 42 Cb 0.40 -2.12 0.22 0.00 0.00 0.00 0.00 23.12 21.62 1dfd s ALA 42 CO 0.04 -0.54 0.98 0.43 0.00 0.00 0.00 175.76 176.68 1dfd n SER 43 N 3.52 -1.09 -0.02 0.00 7.64 -1.26 -4.59 113.62 117.82 1dfd n SER 43 Ca -0.13 0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 1dfd n SER 43 Cb 0.56 -1.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.46 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 -2.36 0.65 0.00 1.43 4.20 -1.97 0.87 115.11 117.93 1dfd h GLN 44 Ca -0.54 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 57.73 1dfd h GLN 44 Cb 1.31 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 1dfd h GLN 44 CO 0.45 1.05 -0.02 0.93 -0.67 0.00 0.00 178.83 180.58 1dfd h GLU 45 N 0.49 0.00 0.03 1.46 4.39 -1.98 0.27 114.58 119.23 1dfd h GLU 45 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1dfd h GLU 45 Cb 1.16 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 1dfd h GLU 45 CO 0.12 0.02 -2.12 -0.85 -1.16 0.00 0.00 179.01 175.01 1dfd n GLU 46 N -3.11 0.68 -0.07 2.33 0.28 -1.06 -2.36 120.64 117.32 1dfd n GLU 46 Ca 0.01 0.17 -0.11 0.00 -0.16 0.00 0.00 57.16 57.07 1dfd n GLU 46 Cb 0.35 -1.64 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 1dfd n GLU 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1dfd h VAL 47 N 0.02 1.20 0.10 3.84 2.07 0.10 0.29 116.25 123.87 1dfd h VAL 47 Ca -0.45 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1dfd h VAL 47 Cb 2.07 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1dfd h VAL 47 CO 0.03 0.21 -0.05 -0.33 0.02 0.00 0.00 177.57 177.45 1dfd h GLU 48 N 0.21 -0.13 -0.97 1.57 5.08 -0.61 0.62 114.58 120.34 1dfd h GLU 48 Ca 0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1dfd h GLU 48 Cb 0.25 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 1dfd h GLU 48 CO -0.00 0.12 0.58 0.93 -1.00 0.00 0.00 179.01 179.63 1dfd h GLU 49 N -0.37 0.74 -0.06 2.33 5.08 -1.31 0.73 114.58 121.72 1dfd h GLU 49 Ca -0.01 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1dfd h GLU 49 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1dfd h GLU 49 CO 0.02 0.49 -0.63 0.00 -1.00 0.00 0.00 179.01 177.89 1dfd h ALA 50 N 1.62 0.81 0.00 3.43 0.00 0.06 -2.40 119.26 122.78 1dfd h ALA 50 Ca 0.55 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1dfd h ALA 50 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1dfd h ALA 50 CO -0.37 0.75 -0.35 1.98 0.00 0.00 0.00 179.25 181.26 1dfd h MET 51 N 0.17 0.00 0.00 0.00 1.85 0.55 -3.13 114.93 114.37 1dfd h MET 51 Ca -0.01 0.00 -0.17 0.00 -0.61 0.00 0.00 59.70 58.91 1dfd h MET 51 Cb 1.15 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.15 1dfd h MET 51 CO 0.10 0.35 -1.14 0.22 -0.40 0.00 0.00 176.91 176.04 1dfd h ASP 52 N 0.00 0.00 0.38 1.39 1.82 0.33 -3.26 116.42 117.09 1dfd h ASP 52 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dfd h ASP 52 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1dfd h ASP 52 CO 0.05 0.63 0.00 1.07 -1.61 0.00 0.00 179.24 179.38 1dfd n THR 53 N -3.04 0.41 -2.72 2.25 5.66 -0.92 -4.76 114.28 111.16 1dfd n THR 53 Ca -0.06 0.10 -0.38 0.00 -3.05 0.00 0.00 64.05 60.66 1dfd n THR 53 Cb 0.84 -0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dfd n PRO 55 N 0.88 0.00 0.21 0.00 -0.04 -1.26 -4.08 135.00 130.71 1dfd n PRO 55 Ca 0.01 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 1dfd n PRO 55 Cb 0.48 -0.97 0.46 0.00 -0.04 0.00 0.00 33.50 33.43 1dfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1dfd h VAL 56 N 0.00 0.00 0.00 0.52 2.07 -1.95 -3.46 116.25 113.43 1dfd h VAL 56 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dfd h VAL 56 Cb 0.00 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1dfd h VAL 56 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1dfd n GLN 57 N -2.80 0.00 -4.04 1.57 6.02 -1.26 -4.67 117.38 112.20 1dfd n GLN 57 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1dfd n GLN 57 Cb 0.37 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.58 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 -3.02 2.26 -0.27 0.00 2.07 -1.26 0.47 121.20 121.45 1dfd s ILE 59 Ca 0.64 -2.20 -0.18 0.00 -1.41 0.00 0.00 60.65 57.51 1dfd s ILE 59 Cb -0.37 -2.15 0.08 0.00 0.13 0.00 0.00 42.46 40.15 1dfd s ILE 59 CO 0.79 -0.32 0.67 -1.00 -1.91 0.00 0.00 174.94 173.17 1dfd s HIS 60 N -2.23 -0.96 0.96 3.50 3.76 -0.96 -4.92 115.29 114.44 1dfd s HIS 60 Ca 0.24 2.02 -0.12 0.00 -0.15 0.00 0.00 55.06 57.04 1dfd s HIS 60 Cb -0.06 0.52 0.16 0.00 1.11 0.00 0.00 32.58 34.32 1dfd s HIS 60 CO 0.11 -0.48 1.10 -1.58 -0.85 0.00 0.00 174.74 173.05 1dfd s TRP 61 N 1.29 2.26 -0.16 1.40 0.52 -1.26 -1.73 118.94 121.26 1dfd s TRP 61 Ca -0.07 1.00 -0.03 0.00 0.02 0.00 0.00 56.10 57.02 1dfd s TRP 61 Cb -0.05 -3.27 0.05 0.00 -1.15 0.00 0.00 33.47 29.05 1dfd s TRP 61 CO -0.14 -2.65 0.03 -2.00 0.02 0.00 0.00 176.95 172.21 1dfd s GLU 62 N -5.04 0.57 -0.49 4.98 2.12 -0.78 -4.68 118.70 115.37 1dfd s GLU 62 Ca 0.64 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1dfd s GLU 62 Cb -0.17 -1.79 0.50 0.00 0.26 0.00 0.00 34.13 32.93 1dfd s GLU 62 CO 0.56 -0.56 1.76 -3.47 -0.54 0.00 0.00 175.26 173.01 1dfd n ASP 63 N 5.10 5.57 0.00 -1.70 -0.08 -1.26 0.61 116.55 124.79 1dfd n ASP 63 Ca -0.08 -3.75 0.00 0.00 -1.51 0.00 0.00 54.79 49.45 1dfd n ASP 63 Cb 0.48 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1dfd n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70