#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 1.94 0.00 0.00 3.00 -1.26 -4.71 118.95 117.92 1dfd s ARG 2 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 55.73 54.41 1dfd s ARG 2 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 32.11 1dfd s ARG 2 CO 0.00 -0.64 0.00 1.17 0.00 0.00 0.00 175.30 175.83 1dfd n LYS 3 N 4.48 3.28 -3.35 3.54 4.81 -0.71 -4.92 118.16 125.29 1dfd n LYS 3 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1dfd n LYS 3 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 -2.16 5.64 -1.74 -1.26 -1.63 117.46 116.31 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 1.02 0.00 -4.03 2.97 4.11 -0.53 -4.58 117.16 116.12 1dfd n TYR 5 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1dfd n TYR 5 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.26 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 -2.67 0.06 -0.99 -3.48 1.01 -1.26 -2.37 120.40 110.70 1dfd s VAL 6 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 1dfd s VAL 6 Cb 0.00 -2.00 0.27 0.00 0.00 0.00 0.00 36.38 34.65 1dfd s VAL 6 CO 0.00 -0.26 1.14 -0.67 0.00 0.00 0.00 175.10 175.31 1dfd n ASP 7 N -0.22 5.36 0.05 3.32 2.03 0.54 -4.78 116.55 122.85 1dfd n ASP 7 Ca -0.05 -3.27 0.02 0.00 0.52 0.00 0.00 54.79 52.01 1dfd n ASP 7 Cb 0.63 -1.16 0.13 0.00 -0.72 0.00 0.00 41.12 40.00 1dfd n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dfd n GLN 8 N 1.77 0.03 0.08 -0.67 0.00 -1.26 -0.18 117.38 117.16 1dfd n GLN 8 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 57.00 57.67 1dfd n GLN 8 Cb 0.36 -1.78 0.32 0.00 0.00 0.00 0.00 30.24 29.14 1dfd n GLN 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1dfd h ASP 9 N 0.00 0.30 0.72 2.61 5.19 -1.88 -1.82 116.42 121.55 1dfd h ASP 9 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1dfd h ASP 9 Cb 0.36 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1dfd h ASP 9 CO 0.00 0.51 -0.91 1.21 -3.12 0.00 0.00 179.24 176.93 1dfd n GLU 10 N -4.20 0.38 -1.57 3.56 4.07 0.75 -4.93 120.64 118.71 1dfd n GLU 10 Ca -0.00 0.06 -0.57 0.00 -0.06 0.00 0.00 57.16 56.58 1dfd n GLU 10 Cb 0.33 -1.69 -0.07 0.00 -0.06 0.00 0.00 31.44 29.95 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 2.30 0.00 -2.17 0.00 -5.35 -1.26 -4.95 119.36 107.93 1dfd n ILE 12 Ca 0.21 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.44 1dfd n ILE 12 Cb 0.11 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.02 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 -3.00 5.06 -2.43 -1.28 0.00 -1.26 -4.96 120.51 112.64 1dfd n ALA 13 Ca 0.00 -3.98 -0.21 0.00 0.00 0.00 0.00 53.44 49.25 1dfd n ALA 13 Cb 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 0.04 2.05 0.00 0.00 1.02 -1.26 -4.82 120.64 117.67 1dfd n GLU 15 Ca -0.11 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 1dfd n GLU 15 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1dfd n GLU 15 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1dfd n SER 16 N -0.94 0.00 -0.27 1.62 3.41 -1.26 -0.31 113.62 115.87 1dfd n SER 16 Ca 0.14 0.97 -0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1dfd n SER 16 Cb 0.62 -0.47 0.07 0.00 -0.26 0.00 0.00 64.21 64.17 1dfd n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfd h VAL 18 N -0.04 0.55 0.02 0.00 2.07 -1.29 0.34 116.25 117.90 1dfd h VAL 18 Ca 0.34 -0.08 -0.26 0.00 0.82 0.00 0.00 66.70 67.52 1dfd h VAL 18 Cb 0.57 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1dfd h VAL 18 CO -0.80 0.04 -1.37 -0.33 0.02 0.00 0.00 177.57 175.14 1dfd h GLU 19 N 0.23 0.04 -0.06 1.57 5.08 0.46 -2.88 114.58 119.02 1dfd h GLU 19 Ca 0.51 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1dfd h GLU 19 Cb 1.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1dfd h GLU 19 CO -0.14 0.82 0.00 -0.89 -1.00 0.00 0.00 179.01 177.80 1dfd n ILE 20 N -3.25 0.08 -2.70 3.13 -0.00 0.10 -4.18 119.36 112.55 1dfd n ILE 20 Ca -0.09 -0.08 -0.06 0.00 -0.00 0.00 0.00 62.75 62.51 1dfd n ILE 20 Cb 1.00 0.01 0.07 0.00 -0.00 0.00 0.00 39.64 40.72 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 -0.35 -2.65 -1.87 -1.39 0.00 0.02 -4.29 120.51 109.99 1dfd n ALA 21 Ca 0.04 -0.77 -0.35 0.00 0.00 0.00 0.00 53.44 52.36 1dfd n ALA 21 Cb 0.06 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.03 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 1.51 1.84 0.00 0.00 -0.04 -1.09 -2.37 135.00 134.84 1dfd n PRO 22 Ca 0.04 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1dfd n PRO 22 Cb 0.68 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 5.31 1.35 0.12 0.55 0.00 -1.25 -4.88 105.19 106.39 1dfd n GLY 23 Ca 0.47 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.92 -2.67 4.61 0.00 -1.11 -4.08 120.51 118.18 1dfd n ALA 24 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.38 1dfd n ALA 24 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.42 3.63 -0.30 0.00 2.19 -1.00 0.32 117.98 120.41 1dfd s PHE 25 Ca -0.32 0.76 -0.16 0.00 0.33 0.00 0.00 56.93 57.54 1dfd s PHE 25 Cb 0.09 -2.19 0.18 0.00 -1.31 0.00 0.00 43.02 39.79 1dfd s PHE 25 CO 0.57 0.59 1.14 0.00 1.83 0.00 0.00 175.22 179.35 1dfd s ALA 26 N -0.73 -2.68 0.66 11.12 0.00 -0.97 -4.56 121.76 124.61 1dfd s ALA 26 Ca 0.19 2.02 -0.17 0.00 0.00 0.00 0.00 51.96 54.00 1dfd s ALA 26 Cb -0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1dfd s ALA 26 CO 0.08 -0.54 1.18 -1.33 0.00 0.00 0.00 175.76 175.15 1dfd n MET 27 N 3.81 0.91 -4.33 0.00 2.81 -1.26 -2.38 117.12 116.70 1dfd n MET 27 Ca -0.14 0.37 -0.17 0.00 -1.81 0.00 0.00 57.70 55.94 1dfd n MET 27 Cb 0.56 -2.42 -0.10 0.00 -0.71 0.00 0.00 33.22 30.55 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 -1.45 1.99 0.23 7.83 2.15 -0.90 -4.79 116.67 121.73 1dfd s ASP 28 Ca 0.80 -1.16 0.25 0.00 0.43 0.00 0.00 52.55 52.86 1dfd s ASP 28 Cb -0.37 -0.03 0.50 0.00 -0.30 0.00 0.00 42.92 42.72 1dfd s ASP 28 CO 0.43 -0.43 1.54 1.55 -0.17 0.00 0.00 175.17 178.09 1dfd h PRO 29 N 2.52 0.00 0.17 4.34 0.13 -1.94 3.43 132.00 140.65 1dfd h PRO 29 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 1dfd h PRO 29 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1dfd h PRO 29 CO 0.64 0.00 -1.33 1.49 -0.23 0.00 0.00 178.00 178.58 1dfd h GLU 30 N 0.00 0.36 -0.04 0.86 4.81 -1.96 -3.31 114.58 115.30 1dfd h GLU 30 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1dfd h GLU 30 Cb 0.82 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1dfd h GLU 30 CO 0.00 1.29 0.00 0.44 -0.73 0.00 0.00 179.01 180.01 1dfd n ILE 31 N -3.87 0.03 -2.85 2.32 -0.00 -1.21 -4.92 119.36 108.85 1dfd n ILE 31 Ca -0.20 -0.51 -0.15 0.00 -0.00 0.00 0.00 62.75 61.89 1dfd n ILE 31 Cb 0.96 1.42 -0.03 0.00 -0.00 0.00 0.00 39.64 42.00 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 1.21 -1.73 -3.53 6.28 -0.58 1.14 -4.73 120.64 118.69 1dfd n GLU 32 Ca 0.13 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.77 1dfd n GLU 32 Cb 0.54 -3.53 -0.05 0.00 -0.57 0.00 0.00 31.44 27.83 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 -4.72 0.89 0.37 3.49 1.02 -1.02 -4.77 119.74 115.00 1dfd s LYS 33 Ca 0.29 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.15 1dfd s LYS 33 Cb -0.17 0.42 -0.11 0.00 -0.52 0.00 0.00 37.83 37.45 1dfd s LYS 33 CO 0.36 -0.29 1.46 0.00 -0.92 0.00 0.00 175.35 175.96 1dfd n ALA 34 N 0.70 2.22 -3.16 5.17 0.00 -1.26 -2.12 120.51 122.07 1dfd n ALA 34 Ca -0.15 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1dfd n ALA 34 Cb 0.58 -2.40 -0.06 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 -1.11 -0.29 -0.53 0.00 1.13 -1.00 -4.07 117.35 111.49 1dfd s TYR 35 Ca 0.54 0.21 -0.19 0.00 -1.41 0.00 0.00 57.07 56.22 1dfd s TYR 35 Cb -0.49 0.26 -0.18 0.00 -1.10 0.00 0.00 41.96 40.45 1dfd s TYR 35 CO 0.64 -0.62 1.78 1.55 -2.51 0.00 0.00 175.55 176.39 1dfd n VAL 36 N 0.32 1.30 0.30 -3.49 3.14 -1.24 -2.29 118.33 116.37 1dfd n VAL 36 Ca -0.18 -1.01 0.11 0.00 -2.96 0.00 0.00 64.34 60.30 1dfd n VAL 36 Cb 0.61 -2.12 0.61 0.00 -1.06 0.00 0.00 33.84 31.88 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 8.13 0.00 -0.64 1.45 2.10 -0.42 -3.36 116.57 123.84 1dfd h LYS 37 Ca 0.35 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 59.14 1dfd h LYS 37 Cb 0.52 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.64 1dfd h LYS 37 CO 1.79 0.00 -0.15 0.34 -2.00 0.00 0.00 179.45 179.43 1dfd s ASP 38 N -4.02 -0.99 0.61 7.07 2.15 -1.15 -5.00 116.67 115.33 1dfd s ASP 38 Ca -0.02 0.27 0.30 0.00 0.43 0.00 0.00 52.55 53.53 1dfd s ASP 38 Cb 0.06 1.69 1.66 0.00 -0.30 0.00 0.00 42.92 46.04 1dfd s ASP 38 CO 0.20 -0.18 2.04 -0.37 -0.17 0.00 0.00 175.17 176.69 1dfd h VAL 39 N 5.40 0.34 -0.02 1.11 -1.51 -1.85 0.62 116.25 120.35 1dfd h VAL 39 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1dfd h VAL 39 Cb 1.18 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1dfd h VAL 39 CO 0.04 0.00 -0.03 -0.62 -1.23 0.00 0.00 177.57 175.73 1dfd n GLU 40 N -3.58 1.62 0.15 5.19 -0.58 -1.26 -3.81 120.64 118.37 1dfd n GLU 40 Ca 0.02 -0.99 0.13 0.00 -0.42 0.00 0.00 57.16 55.90 1dfd n GLU 40 Cb 0.40 -1.48 0.42 0.00 -0.57 0.00 0.00 31.44 30.21 1dfd n GLU 40 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1dfd h GLY 41 N 4.85 0.00 -3.10 0.62 0.00 0.11 -3.46 103.07 102.10 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 -0.58 0.00 0.00 0.00 0.00 176.54 175.96 1dfd s ALA 42 N -3.23 0.42 0.76 3.60 0.00 -1.25 -3.22 121.76 118.84 1dfd s ALA 42 Ca 0.07 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1dfd s ALA 42 Cb 0.10 0.51 0.11 0.00 0.00 0.00 0.00 23.12 23.84 1dfd s ALA 42 CO 0.55 -0.45 1.07 -1.54 0.00 0.00 0.00 175.76 175.39 1dfd s SER 43 N -2.94 4.31 0.16 0.00 1.04 -1.26 -4.81 113.70 110.20 1dfd s SER 43 Ca 0.12 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 1dfd s SER 43 Cb 0.07 -0.63 0.03 0.00 0.10 0.00 0.00 66.02 65.59 1dfd s SER 43 CO -0.06 -1.92 1.50 1.56 0.98 0.00 0.00 173.24 175.29 1dfd h GLN 44 N -0.81 0.80 0.00 4.02 4.20 -1.97 0.71 115.11 122.06 1dfd h GLN 44 Ca -0.42 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 57.83 1dfd h GLN 44 Cb 1.28 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1dfd h GLN 44 CO 0.50 1.07 -0.06 0.93 -0.67 0.00 0.00 178.83 180.59 1dfd h GLU 45 N 0.65 0.00 0.09 1.46 4.39 -1.98 0.42 114.58 119.60 1dfd h GLU 45 Ca 0.04 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.42 1dfd h GLU 45 Cb 1.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1dfd h GLU 45 CO 0.10 0.06 -1.78 0.39 -1.16 0.00 0.00 179.01 176.62 1dfd n GLU 46 N -3.28 0.70 -0.27 2.33 1.02 -0.93 -2.41 120.64 117.79 1dfd n GLU 46 Ca -0.01 0.36 0.03 0.00 -0.02 0.00 0.00 57.16 57.52 1dfd n GLU 46 Cb 0.26 -1.72 0.25 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.26 1.10 0.20 2.62 2.07 0.81 0.34 116.25 123.14 1dfd h VAL 47 Ca -0.40 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1dfd h VAL 47 Cb 1.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1dfd h VAL 47 CO -0.00 0.19 -0.10 -0.33 0.02 0.00 0.00 177.57 177.34 1dfd h GLU 48 N 1.01 -0.26 -0.91 1.57 5.08 -0.28 0.94 114.58 121.74 1dfd h GLU 48 Ca 0.35 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.96 1dfd h GLU 48 Cb 0.10 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.29 1dfd h GLU 48 CO -0.11 -0.17 0.41 0.93 -1.00 0.00 0.00 179.01 179.06 1dfd h GLU 49 N -0.48 0.38 0.00 2.33 5.08 -1.38 1.57 114.58 122.08 1dfd h GLU 49 Ca -0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1dfd h GLU 49 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1dfd h GLU 49 CO 0.05 0.25 -0.30 0.00 -1.00 0.00 0.00 179.01 178.00 1dfd h ALA 50 N 1.73 1.21 0.00 3.43 0.00 -0.34 -2.23 119.26 123.05 1dfd h ALA 50 Ca 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dfd h ALA 50 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dfd h ALA 50 CO -0.54 0.38 -0.35 1.98 0.00 0.00 0.00 179.25 180.72 1dfd h MET 51 N 0.00 0.00 0.00 0.00 1.85 0.47 -3.25 114.93 114.00 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 0.66 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1dfd h MET 51 CO 0.04 0.00 -0.78 -3.47 -0.40 0.00 0.00 176.91 172.30 1dfd n ASP 52 N -2.60 0.74 -0.72 1.39 2.03 0.10 -3.92 116.55 113.58 1dfd n ASP 52 Ca 0.03 -0.60 0.08 0.00 0.52 0.00 0.00 54.79 54.83 1dfd n ASP 52 Cb 0.49 0.65 0.24 0.00 -0.72 0.00 0.00 41.12 41.78 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 -1.53 0.45 -3.62 5.18 -2.24 -0.89 -4.87 114.28 106.75 1dfd n THR 53 Ca 0.05 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 1dfd n THR 53 Cb 0.34 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dfd h PRO 55 N 4.64 -0.26 0.00 0.00 0.13 -1.93 -3.34 132.00 131.24 1dfd h PRO 55 Ca -0.52 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1dfd h PRO 55 Cb 1.22 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1dfd h PRO 55 CO 0.61 -0.04 -0.74 -0.24 -0.23 0.00 0.00 178.00 177.37 1dfd h VAL 56 N -1.03 0.42 0.00 1.56 3.04 -1.95 -3.47 116.25 114.82 1dfd h VAL 56 Ca -0.03 -1.67 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1dfd h VAL 56 Cb 0.35 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1dfd h VAL 56 CO 0.05 0.24 0.00 1.67 -1.01 0.00 0.00 177.57 178.52 1dfd n GLN 57 N -3.00 0.00 -1.99 4.17 7.27 -1.26 -4.70 117.38 117.87 1dfd n GLN 57 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.02 1dfd n GLN 57 Cb 0.68 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.33 1dfd n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dfd s ILE 59 N -1.88 1.66 0.06 0.00 2.07 -1.26 0.20 121.20 122.05 1dfd s ILE 59 Ca 0.00 -2.14 -0.27 0.00 -1.41 0.00 0.00 60.65 56.83 1dfd s ILE 59 Cb 0.00 -2.40 0.10 0.00 0.13 0.00 0.00 42.46 40.29 1dfd s ILE 59 CO 0.00 -0.34 1.18 -1.38 -1.91 0.00 0.00 174.94 172.49 1dfd s HIS 60 N -3.00 -0.02 0.34 3.50 -3.43 -1.00 -4.95 115.29 106.73 1dfd s HIS 60 Ca 0.29 -0.18 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 1dfd s HIS 60 Cb 0.03 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.77 1dfd s HIS 60 CO 0.11 -0.51 0.49 -1.58 -2.00 0.00 0.00 174.74 171.26 1dfd s TRP 61 N -2.46 3.19 -0.27 0.38 0.52 -1.26 -1.45 118.94 117.58 1dfd s TRP 61 Ca 0.18 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1dfd s TRP 61 Cb 0.01 -1.99 0.07 0.00 -1.15 0.00 0.00 33.47 30.41 1dfd s TRP 61 CO -0.00 -0.01 -0.05 -2.00 0.02 0.00 0.00 176.95 174.90 1dfd s GLU 62 N -4.22 1.85 -0.32 4.98 2.12 -0.65 -4.71 118.70 117.75 1dfd s GLU 62 Ca 0.44 -1.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.34 1dfd s GLU 62 Cb -0.10 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.48 1dfd s GLU 62 CO 0.32 -0.68 0.08 -0.51 -0.54 0.00 0.00 175.26 173.93 1dfd s ASP 63 N 1.15 5.17 0.00 -1.70 1.01 -1.26 -1.74 116.67 119.30 1dfd s ASP 63 Ca -0.03 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.14 1dfd s ASP 63 Cb -0.19 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1dfd s ASP 63 CO -0.07 -0.29 0.48 -0.62 0.21 0.00 0.00 175.17 174.88