#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 1.80 0.00 0.00 3.52 -1.26 -4.95 118.95 118.06 1dfd s ARG 2 Ca 0.00 -1.09 0.00 0.00 -0.13 0.00 0.00 55.73 54.51 1dfd s ARG 2 Cb 0.00 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1dfd s ARG 2 CO 0.00 -1.34 0.00 1.17 -0.81 0.00 0.00 175.30 174.32 1dfd n LYS 3 N -2.76 0.00 -3.60 5.12 4.81 1.00 -4.97 118.16 117.76 1dfd n LYS 3 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1dfd n LYS 3 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 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 -1.58 5.64 1.16 -1.25 -1.70 117.46 119.72 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 2.06 0.00 -4.46 2.97 0.18 -0.72 -4.69 117.16 112.51 1dfd n TYR 5 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1dfd n TYR 5 Cb 0.00 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 38.87 1dfd n TYR 5 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1dfd s VAL 6 N -2.44 0.60 -0.45 -3.48 1.01 -1.26 -2.30 120.40 112.07 1dfd s VAL 6 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.01 1dfd s VAL 6 Cb 0.00 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 34.07 1dfd s VAL 6 CO 0.00 0.00 0.23 -1.81 0.00 0.00 0.00 175.10 173.52 1dfd s ASP 7 N -3.54 3.86 0.00 3.32 1.11 0.41 -4.81 116.67 117.01 1dfd s ASP 7 Ca 0.28 -2.68 -0.00 0.00 0.18 0.00 0.00 52.55 50.33 1dfd s ASP 7 Cb 0.04 -1.20 -0.02 0.00 1.07 0.00 0.00 42.92 42.81 1dfd s ASP 7 CO 0.16 -0.27 0.65 0.00 1.18 0.00 0.00 175.17 176.89 1dfd n GLN 8 N 3.50 0.26 -0.02 8.23 3.00 -1.26 -3.35 117.38 127.74 1dfd n GLN 8 Ca 0.07 -0.07 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1dfd n GLN 8 Cb 0.34 -1.48 -0.17 0.00 0.00 0.00 0.00 30.24 28.93 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 2.32 0.01 0.00 1.08 2.03 -1.26 -4.40 116.55 116.33 1dfd n ASP 9 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1dfd n ASP 9 Cb 0.12 1.91 0.00 0.00 -0.72 0.00 0.00 41.12 42.44 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 -2.30 4.62 -1.54 -0.67 -0.58 -1.21 -5.01 120.64 113.95 1dfd n GLU 10 Ca -0.06 -0.12 -0.48 0.00 -0.42 0.00 0.00 57.16 56.08 1dfd n GLU 10 Cb 0.61 -0.59 -0.06 0.00 -0.57 0.00 0.00 31.44 30.84 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dfd h ILE 12 N 6.72 1.48 0.00 0.00 3.07 -1.96 -3.48 117.51 123.34 1dfd h ILE 12 Ca -0.36 -1.70 0.00 0.00 1.55 0.00 0.00 64.86 64.36 1dfd h ILE 12 Cb 1.29 2.49 0.00 0.00 -0.27 0.00 0.00 36.82 40.33 1dfd h ILE 12 CO 0.99 0.47 0.00 0.00 -1.05 0.00 0.00 178.15 178.56 1dfd n ALA 13 N -2.48 0.00 -1.07 0.16 0.00 -1.26 -5.05 120.51 110.80 1dfd n ALA 13 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 1dfd n ALA 13 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 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 0.38 1.29 -0.27 0.00 0.00 -1.26 -4.79 120.64 115.98 1dfd n GLU 15 Ca 0.05 -2.61 -0.01 0.00 0.00 0.00 0.00 57.16 54.59 1dfd n GLU 15 Cb 0.52 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.51 1dfd n GLU 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1dfd h SER 16 N 0.05 -1.02 0.23 -1.84 0.02 -1.91 0.83 113.55 109.91 1dfd h SER 16 Ca -0.00 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1dfd h SER 16 Cb 1.00 0.57 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1dfd h SER 16 CO 0.00 -0.28 -0.14 0.00 -1.14 0.00 0.00 176.83 175.27 1dfd h VAL 18 N -0.35 0.40 -0.07 0.00 2.07 -1.16 0.89 116.25 118.03 1dfd h VAL 18 Ca -0.02 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1dfd h VAL 18 Cb 0.29 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1dfd h VAL 18 CO 0.03 0.04 -0.73 -0.33 0.02 0.00 0.00 177.57 176.60 1dfd h GLU 19 N 0.24 0.37 -0.25 1.57 4.39 -0.13 0.25 114.58 121.02 1dfd h GLU 19 Ca 0.64 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1dfd h GLU 19 Cb 1.93 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1dfd h GLU 19 CO -0.26 0.95 0.00 -0.89 -1.16 0.00 0.00 179.01 177.65 1dfd n ILE 20 N -3.83 0.29 -2.67 3.13 -0.00 0.29 -4.23 119.36 112.33 1dfd n ILE 20 Ca -0.04 -0.25 -0.05 0.00 -0.00 0.00 0.00 62.75 62.41 1dfd n ILE 20 Cb 0.71 0.07 0.09 0.00 -0.00 0.00 0.00 39.64 40.50 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 0.05 -3.08 -0.70 -1.39 0.00 0.03 -4.51 120.51 110.91 1dfd n ALA 21 Ca 0.06 -0.49 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1dfd n ALA 21 Cb 0.19 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 16.66 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 1.08 1.80 0.08 0.00 -0.04 0.81 -2.37 135.00 136.36 1dfd n PRO 22 Ca -0.01 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1dfd n PRO 22 Cb 0.72 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 3.35 -1.09 0.16 0.55 0.00 -1.26 -4.95 105.19 101.95 1dfd n GLY 23 Ca 0.38 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.01 -2.94 4.61 0.00 -1.47 -3.37 119.26 116.11 1dfd h ALA 24 Ca 0.00 -0.80 -0.61 0.00 0.00 0.00 0.00 54.91 53.50 1dfd h ALA 24 Cb 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1dfd h ALA 24 CO 0.00 0.74 -0.36 0.12 0.00 0.00 0.00 179.25 179.74 1dfd s PHE 25 N -2.90 3.53 -0.30 0.00 2.19 -1.00 0.45 117.98 119.96 1dfd s PHE 25 Ca -0.08 0.61 -0.13 0.00 0.33 0.00 0.00 56.93 57.66 1dfd s PHE 25 Cb 0.06 -2.21 0.13 0.00 -1.31 0.00 0.00 43.02 39.69 1dfd s PHE 25 CO 0.92 0.44 0.78 0.00 1.83 0.00 0.00 175.22 179.19 1dfd s ALA 26 N -0.18 -2.22 0.63 11.12 0.00 -0.53 -4.65 121.76 125.93 1dfd s ALA 26 Ca 0.16 2.27 -0.19 0.00 0.00 0.00 0.00 51.96 54.21 1dfd s ALA 26 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1dfd s ALA 26 CO 0.05 -0.79 1.30 1.41 0.00 0.00 0.00 175.76 177.73 1dfd s MET 27 N 2.42 2.63 0.22 0.00 1.75 -1.26 -2.31 119.30 122.75 1dfd s MET 27 Ca -0.06 2.09 0.08 0.00 -1.25 0.00 0.00 55.69 56.54 1dfd s MET 27 Cb -0.08 -1.90 -0.05 0.00 2.84 0.00 0.00 34.83 35.64 1dfd s MET 27 CO -0.18 -1.54 -0.13 0.34 -0.65 0.00 0.00 175.02 172.85 1dfd s ASP 28 N -1.33 2.59 0.23 1.11 2.15 -1.00 -4.80 116.67 115.62 1dfd s ASP 28 Ca 0.81 -1.05 0.24 0.00 0.43 0.00 0.00 52.55 52.99 1dfd s ASP 28 Cb -0.38 -0.14 0.38 0.00 -0.30 0.00 0.00 42.92 42.48 1dfd s ASP 28 CO 0.41 -0.20 1.44 1.55 -0.17 0.00 0.00 175.17 178.20 1dfd h PRO 29 N 2.52 0.00 0.01 4.34 0.13 -1.94 3.30 132.00 140.35 1dfd h PRO 29 Ca -0.38 0.00 -0.30 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 0.63 0.00 -1.76 -1.91 -0.23 0.00 0.00 178.00 174.72 1dfd n GLU 30 N -2.49 0.64 0.00 0.86 4.07 -1.26 -3.84 120.64 118.62 1dfd n GLU 30 Ca 0.03 0.28 0.08 0.00 -0.06 0.00 0.00 57.16 57.49 1dfd n GLU 30 Cb 0.48 -1.77 0.06 0.00 -0.06 0.00 0.00 31.44 30.15 1dfd n GLU 30 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1dfd n ILE 31 N -3.05 0.00 -2.87 6.31 -5.35 -1.20 -4.96 119.36 108.24 1dfd n ILE 31 Ca -0.18 -0.49 -0.15 0.00 -0.27 0.00 0.00 62.75 61.65 1dfd n ILE 31 Cb 1.06 1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 40.25 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 0.85 -0.92 -3.60 6.28 1.02 1.10 -4.67 120.64 120.70 1dfd n GLU 32 Ca 0.09 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 1dfd n GLU 32 Cb 0.39 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 -3.89 0.53 0.39 3.49 1.02 -1.04 -4.81 119.74 115.42 1dfd s LYS 33 Ca 0.22 0.30 -0.27 0.00 0.02 0.00 0.00 55.97 56.23 1dfd s LYS 33 Cb -0.13 0.25 -0.11 0.00 -0.52 0.00 0.00 37.83 37.33 1dfd s LYS 33 CO 0.40 -0.13 1.38 0.00 -0.92 0.00 0.00 175.35 176.08 1dfd n ALA 34 N 1.27 1.81 -3.13 5.17 0.00 -1.26 -2.39 120.51 121.98 1dfd n ALA 34 Ca -0.11 0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1dfd n ALA 34 Cb 0.57 -2.34 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.14 -0.11 -0.67 0.00 1.13 -0.98 -4.64 117.35 110.95 1dfd s TYR 35 Ca 0.56 0.21 -0.24 0.00 -1.41 0.00 0.00 57.07 56.19 1dfd s TYR 35 Cb -0.51 0.03 0.06 0.00 -1.10 0.00 0.00 41.96 40.44 1dfd s TYR 35 CO 0.61 -0.25 1.05 0.08 -2.51 0.00 0.00 175.55 174.53 1dfd s VAL 36 N -0.85 4.17 -0.04 -3.49 1.01 -1.25 -1.45 120.40 118.51 1dfd s VAL 36 Ca -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1dfd s VAL 36 Cb -0.05 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1dfd s VAL 36 CO 0.02 -1.52 -0.01 2.29 0.00 0.00 0.00 175.10 175.88 1dfd n LYS 37 N 8.12 2.02 -3.47 2.72 -0.00 0.17 -4.50 118.16 123.22 1dfd n LYS 37 Ca -0.01 0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1dfd n LYS 37 Cb 0.47 -1.09 -0.04 0.00 -0.00 0.00 0.00 35.03 34.37 1dfd n LYS 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1dfd s ASP 38 N -3.85 6.46 0.54 -5.58 2.15 -1.11 -4.87 116.67 110.41 1dfd s ASP 38 Ca -0.03 -3.18 0.28 0.00 0.43 0.00 0.00 52.55 50.05 1dfd s ASP 38 Cb 0.01 -2.08 1.44 0.00 -0.30 0.00 0.00 42.92 42.00 1dfd s ASP 38 CO 0.12 -0.38 1.96 -0.37 -0.17 0.00 0.00 175.17 176.34 1dfd h VAL 39 N 4.43 0.62 0.00 1.11 -1.51 -1.88 0.95 116.25 119.98 1dfd h VAL 39 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 1dfd h VAL 39 Cb 0.93 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1dfd h VAL 39 CO 0.83 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 178.38 1dfd n GLU 40 N -4.23 0.20 0.20 5.19 2.13 -1.26 -2.53 120.64 120.35 1dfd n GLU 40 Ca 0.11 0.35 0.07 0.00 0.66 0.00 0.00 57.16 58.35 1dfd n GLU 40 Cb 0.69 -1.83 0.38 0.00 0.27 0.00 0.00 31.44 30.95 1dfd n GLU 40 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1dfd h GLY 41 N 2.96 0.00 -3.97 8.31 0.00 0.71 -3.45 103.07 107.63 1dfd h GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1dfd h GLY 41 CO 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.95 1dfd s ALA 42 N -3.63 0.11 0.20 3.60 0.00 -1.05 -4.02 121.76 116.96 1dfd s ALA 42 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1dfd s ALA 42 Cb 0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1dfd s ALA 42 CO 0.67 -0.31 0.00 0.43 0.00 0.00 0.00 175.76 176.55 1dfd n SER 43 N 0.73 0.00 0.04 0.00 7.64 -1.26 -4.77 113.62 116.00 1dfd n SER 43 Ca -0.18 -0.67 -0.11 0.00 1.01 0.00 0.00 58.87 58.91 1dfd n SER 43 Cb 0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 -0.18 0.00 1.43 4.15 -1.96 0.75 115.11 119.29 1dfd h GLN 44 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1dfd h GLN 44 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1dfd h GLN 44 CO 0.00 0.28 0.00 0.93 -1.93 0.00 0.00 178.83 178.11 1dfd h GLU 45 N -0.82 0.00 0.06 1.69 4.39 -1.98 0.85 114.58 118.78 1dfd h GLU 45 Ca -0.02 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1dfd h GLU 45 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1dfd h GLU 45 CO 0.03 0.00 -1.41 0.93 -1.16 0.00 0.00 179.01 177.41 1dfd h GLU 46 N 0.00 0.13 0.00 2.33 5.08 -1.84 -2.66 114.58 117.62 1dfd h GLU 46 Ca 0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1dfd h GLU 46 Cb 0.15 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1dfd h GLU 46 CO 0.00 1.11 -0.11 0.28 -1.00 0.00 0.00 179.01 179.29 1dfd h VAL 47 N -0.55 0.80 0.18 3.13 2.07 0.12 -1.00 116.25 121.00 1dfd h VAL 47 Ca -0.33 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1dfd h VAL 47 Cb 1.59 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1dfd h VAL 47 CO -0.05 0.10 -0.08 -0.33 0.02 0.00 0.00 177.57 177.23 1dfd h GLU 48 N 0.00 -0.23 -0.67 1.57 5.08 0.65 -0.38 114.58 120.60 1dfd h GLU 48 Ca -0.00 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1dfd h GLU 48 Cb 0.23 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 1dfd h GLU 48 CO 0.01 -0.15 -0.08 0.93 -1.00 0.00 0.00 179.01 178.72 1dfd h GLU 49 N -0.45 0.05 -0.99 2.33 4.39 -1.36 0.72 114.58 119.26 1dfd h GLU 49 Ca -0.02 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.73 1dfd h GLU 49 Cb 0.18 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1dfd h GLU 49 CO 0.04 0.03 0.64 0.00 -1.16 0.00 0.00 179.01 178.56 1dfd h ALA 50 N 1.65 1.37 0.00 3.43 0.00 -1.25 0.39 119.26 124.84 1dfd h ALA 50 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dfd h ALA 50 Cb 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1dfd h ALA 50 CO -0.64 0.44 0.00 -0.12 0.00 0.00 0.00 179.25 178.93 1dfd n MET 51 N -4.50 0.17 0.00 0.00 0.00 0.23 -1.63 117.12 111.38 1dfd n MET 51 Ca 0.15 0.42 0.11 0.00 -0.00 0.00 0.00 57.70 58.39 1dfd n MET 51 Cb 0.17 -1.84 0.02 0.00 0.00 0.00 0.00 33.22 31.58 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 -2.16 2.18 -2.42 6.12 2.03 0.13 -4.35 116.55 118.07 1dfd n ASP 52 Ca 0.02 -1.59 -0.30 0.00 0.52 0.00 0.00 54.79 53.45 1dfd n ASP 52 Cb 0.21 0.39 0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1dfd n ASP 52 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1dfd n THR 53 N 0.20 2.81 -4.85 5.18 -1.04 -0.56 -5.00 114.28 111.01 1dfd n THR 53 Ca 0.10 -4.37 -0.27 0.00 -2.04 0.00 0.00 64.05 57.47 1dfd n THR 53 Cb 0.49 -1.21 -0.15 0.00 -1.82 0.00 0.00 70.33 67.64 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dfd h PRO 55 N 5.10 0.47 0.00 0.00 0.13 -1.97 -3.31 132.00 132.42 1dfd h PRO 55 Ca -0.43 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1dfd h PRO 55 Cb 1.15 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dfd h PRO 55 CO 0.45 0.91 0.00 0.28 -0.23 0.00 0.00 178.00 179.41 1dfd n VAL 56 N -3.94 0.00 0.00 1.56 0.31 -1.26 -5.03 118.33 109.97 1dfd n VAL 56 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1dfd n VAL 56 Cb 0.61 1.20 0.00 0.00 -0.91 0.00 0.00 33.84 34.74 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 -0.08 0.00 -1.80 5.55 6.02 -1.25 -4.65 117.38 121.17 1dfd n GLN 57 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1dfd n GLN 57 Cb 0.05 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.26 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 -2.53 1.90 0.10 0.00 2.07 -1.26 0.15 121.20 121.63 1dfd s ILE 59 Ca 0.00 -1.89 -0.22 0.00 -1.41 0.00 0.00 60.65 57.13 1dfd s ILE 59 Cb 0.00 -1.86 0.06 0.00 0.13 0.00 0.00 42.46 40.79 1dfd s ILE 59 CO 0.00 -0.24 0.53 -1.00 -1.91 0.00 0.00 174.94 172.32 1dfd s HIS 60 N -1.86 -0.43 0.92 3.50 3.76 -0.97 -4.96 115.29 115.25 1dfd s HIS 60 Ca 0.15 0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 55.27 1dfd s HIS 60 Cb -0.07 0.41 0.20 0.00 1.11 0.00 0.00 32.58 34.23 1dfd s HIS 60 CO 0.07 -0.73 1.26 -1.58 -0.85 0.00 0.00 174.74 172.91 1dfd s TRP 61 N -3.15 1.32 -0.24 1.40 0.52 -1.26 -1.75 118.94 115.78 1dfd s TRP 61 Ca -0.02 0.07 -0.02 0.00 0.02 0.00 0.00 56.10 56.15 1dfd s TRP 61 Cb -0.00 -3.90 0.13 0.00 -1.15 0.00 0.00 33.47 28.54 1dfd s TRP 61 CO -0.07 -2.56 0.34 -2.00 0.02 0.00 0.00 176.95 172.67 1dfd s GLU 62 N -5.74 0.31 -0.15 4.98 2.12 -0.69 -4.62 118.70 114.92 1dfd s GLU 62 Ca 0.74 0.35 -0.13 0.00 0.36 0.00 0.00 54.97 56.29 1dfd s GLU 62 Cb -0.03 -0.65 -0.06 0.00 0.26 0.00 0.00 34.13 33.65 1dfd s GLU 62 CO 0.51 -0.72 -0.27 -3.47 -0.54 0.00 0.00 175.26 170.77 1dfd n ASP 63 N 5.35 1.67 -0.86 -1.70 -0.08 -1.26 -0.00 116.55 119.67 1dfd n ASP 63 Ca -0.03 0.28 0.12 0.00 -1.51 0.00 0.00 54.79 53.65 1dfd n ASP 63 Cb 0.50 -0.64 0.19 0.00 2.34 0.00 0.00 41.12 43.51 1dfd n ASP 63 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53