#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 -2.76 0.00 0.00 3.00 -1.26 -5.08 116.66 110.56 1dfd n ARG 2 Ca 0.00 2.28 0.00 0.00 -0.00 0.00 0.00 57.85 60.13 1dfd n ARG 2 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 32.46 28.74 1dfd n ARG 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1dfd n LYS 3 N 0.88 3.81 0.00 -0.14 3.00 0.10 -4.92 118.16 120.90 1dfd n LYS 3 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1dfd n LYS 3 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.31 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 -2.64 5.64 1.16 -1.26 -1.15 117.46 119.21 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 -0.16 0.00 -4.37 2.97 4.11 -0.55 -4.70 117.16 114.45 1dfd n TYR 5 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 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 -2.84 0.29 -0.41 -3.48 1.01 -1.26 -2.19 120.40 111.52 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 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 34.06 1dfd s VAL 6 CO 0.00 0.00 0.20 -0.62 0.00 0.00 0.00 175.10 174.68 1dfd s ASP 7 N -3.45 3.81 0.00 3.32 2.15 -0.74 -4.79 116.67 116.96 1dfd s ASP 7 Ca 0.33 -2.41 -0.01 0.00 0.43 0.00 0.00 52.55 50.89 1dfd s ASP 7 Cb 0.03 -1.05 -0.04 0.00 -0.30 0.00 0.00 42.92 41.57 1dfd s ASP 7 CO 0.20 -0.30 0.95 0.00 -0.17 0.00 0.00 175.17 175.85 1dfd n GLN 8 N 3.83 0.41 -0.06 4.34 3.00 -1.26 -3.11 117.38 124.53 1dfd n GLN 8 Ca 0.06 -0.14 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 1dfd n GLN 8 Cb 0.36 -1.51 -0.05 0.00 0.00 0.00 0.00 30.24 29.05 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 2.39 2.01 -0.13 1.08 -0.08 -1.26 -4.53 116.55 116.03 1dfd n ASP 9 Ca 0.06 0.04 0.13 0.00 -1.51 0.00 0.00 54.79 53.51 1dfd n ASP 9 Cb 0.19 -0.28 0.33 0.00 2.34 0.00 0.00 41.12 43.70 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 -3.20 0.44 -1.91 -0.67 4.07 -1.18 -4.91 120.64 113.28 1dfd n GLU 10 Ca -0.23 -0.25 -0.39 0.00 -0.06 0.00 0.00 57.16 56.23 1dfd n GLU 10 Cb 0.70 -1.49 0.02 0.00 -0.06 0.00 0.00 31.44 30.60 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 -0.39 0.00 -2.12 0.00 -5.35 -1.26 -5.00 119.36 105.25 1dfd n ILE 12 Ca 0.06 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.58 1dfd n ILE 12 Cb 0.44 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.39 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 2.46 -2.86 -1.28 0.00 -1.26 -4.79 120.51 109.78 1dfd n ALA 13 Ca 0.00 -2.17 -0.31 0.00 0.00 0.00 0.00 53.44 50.96 1dfd n ALA 13 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 0.42 3.27 -0.08 0.00 0.00 -1.26 -4.76 120.64 118.24 1dfd n GLU 15 Ca -0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 57.16 54.14 1dfd n GLU 15 Cb 0.51 -1.92 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 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 2.19 -0.64 -0.72 -1.84 0.02 -1.94 0.18 113.55 110.79 1dfd h SER 16 Ca 0.00 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.20 1dfd h SER 16 Cb 1.55 0.27 -0.11 0.00 0.14 0.00 0.00 62.40 64.24 1dfd h SER 16 CO 0.27 -0.11 0.12 0.00 -1.14 0.00 0.00 176.83 175.97 1dfd h VAL 18 N 0.20 0.53 0.05 0.00 2.07 -0.99 0.47 116.25 118.58 1dfd h VAL 18 Ca 0.41 -0.03 -0.24 0.00 0.82 0.00 0.00 66.70 67.66 1dfd h VAL 18 Cb 0.70 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1dfd h VAL 18 CO -0.55 0.02 -1.03 -0.33 0.02 0.00 0.00 177.57 175.69 1dfd h GLU 19 N 0.09 0.29 0.00 1.57 4.39 0.23 0.29 114.58 121.44 1dfd h GLU 19 Ca 0.48 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1dfd h GLU 19 Cb 1.75 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1dfd h GLU 19 CO -0.06 1.11 0.00 -0.89 -1.16 0.00 0.00 179.01 178.01 1dfd n ILE 20 N -3.64 0.00 -2.68 3.13 -0.00 0.15 -4.11 119.36 112.21 1dfd n ILE 20 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.64 1dfd n ILE 20 Cb 0.90 -0.23 0.09 0.00 -0.00 0.00 0.00 39.64 40.39 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 -0.73 -2.80 -1.21 -1.39 0.00 -0.35 -4.41 120.51 109.61 1dfd n ALA 21 Ca 0.11 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 1dfd n ALA 21 Cb 0.05 -2.70 -0.05 0.00 0.00 0.00 0.00 19.45 16.75 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 1.02 1.62 0.00 0.00 -0.04 0.99 -2.38 135.00 136.20 1dfd n PRO 22 Ca 0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1dfd n PRO 22 Cb 0.72 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.50 0.04 0.10 0.55 0.00 -1.26 -4.95 105.19 104.18 1dfd n GLY 23 Ca 0.50 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 1.40 -2.73 4.61 0.00 -1.12 -4.18 120.51 118.49 1dfd n ALA 24 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 53.44 52.20 1dfd n ALA 24 Cb 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.56 3.24 -0.30 0.00 2.19 -1.00 -0.26 117.98 119.28 1dfd s PHE 25 Ca -0.11 0.23 -0.17 0.00 0.33 0.00 0.00 56.93 57.21 1dfd s PHE 25 Cb 0.07 -1.78 0.18 0.00 -1.31 0.00 0.00 43.02 40.18 1dfd s PHE 25 CO 0.80 0.52 1.15 0.00 1.83 0.00 0.00 175.22 179.53 1dfd s ALA 26 N -0.99 -2.76 0.76 11.12 0.00 -0.95 -4.69 121.76 124.25 1dfd s ALA 26 Ca 0.16 1.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.97 1dfd s ALA 26 Cb -0.12 -2.03 0.04 0.00 0.00 0.00 0.00 23.12 21.02 1dfd s ALA 26 CO 0.06 -0.63 1.11 -1.33 0.00 0.00 0.00 175.76 174.97 1dfd n MET 27 N 3.99 0.40 -4.40 0.00 0.00 -1.26 -2.24 117.12 113.62 1dfd n MET 27 Ca -0.13 0.20 -0.20 0.00 0.00 0.00 0.00 57.70 57.57 1dfd n MET 27 Cb 0.56 -2.36 -0.10 0.00 0.00 0.00 0.00 33.22 31.31 1dfd n MET 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1dfd s ASP 28 N -1.85 2.66 0.23 7.83 2.15 -0.87 -4.79 116.67 122.03 1dfd s ASP 28 Ca 0.74 -1.14 0.24 0.00 0.43 0.00 0.00 52.55 52.83 1dfd s ASP 28 Cb -0.32 -0.15 0.44 0.00 -0.30 0.00 0.00 42.92 42.59 1dfd s ASP 28 CO 0.50 -0.29 1.49 1.55 -0.17 0.00 0.00 175.17 178.24 1dfd h PRO 29 N 2.37 0.00 0.09 4.34 0.13 -1.94 3.24 132.00 140.23 1dfd h PRO 29 Ca -0.39 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 1dfd h PRO 29 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1dfd h PRO 29 CO 0.65 0.00 -1.75 1.49 -0.23 0.00 0.00 178.00 178.16 1dfd h GLU 30 N 0.00 0.19 -0.02 0.86 4.81 -1.96 -3.33 114.58 115.13 1dfd h GLU 30 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1dfd h GLU 30 Cb 0.83 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1dfd h GLU 30 CO 0.00 0.99 -0.10 0.44 -0.73 0.00 0.00 179.01 179.61 1dfd n ILE 31 N -3.35 0.00 -3.20 2.32 -5.35 -1.21 -4.93 119.36 103.63 1dfd n ILE 31 Ca -0.22 -0.45 -0.22 0.00 -0.27 0.00 0.00 62.75 61.59 1dfd n ILE 31 Cb 1.05 1.32 -0.04 0.00 -1.74 0.00 0.00 39.64 40.23 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 0.68 -1.32 -3.55 6.28 -0.58 1.08 -4.72 120.64 118.51 1dfd n GLU 32 Ca 0.09 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 1dfd n GLU 32 Cb 0.42 -3.44 -0.06 0.00 -0.57 0.00 0.00 31.44 27.79 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 -5.02 0.91 0.49 3.49 1.02 -1.03 -4.77 119.74 114.83 1dfd s LYS 33 Ca 0.43 0.33 -0.22 0.00 0.02 0.00 0.00 55.97 56.53 1dfd s LYS 33 Cb -0.25 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 1dfd s LYS 33 CO 0.52 -0.26 0.93 0.00 -0.92 0.00 0.00 175.35 175.62 1dfd n ALA 34 N 1.13 -0.02 -3.23 5.17 0.00 -1.26 -2.05 120.51 120.25 1dfd n ALA 34 Ca -0.16 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1dfd n ALA 34 Cb 0.57 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.40 -0.22 -0.76 0.00 1.13 -0.95 -4.30 117.35 110.85 1dfd s TYR 35 Ca 0.67 0.41 -0.21 0.00 -1.41 0.00 0.00 57.07 56.53 1dfd s TYR 35 Cb -0.51 0.10 0.09 0.00 -1.10 0.00 0.00 41.96 40.55 1dfd s TYR 35 CO 0.54 -0.33 1.02 0.08 -2.51 0.00 0.00 175.55 174.34 1dfd s VAL 36 N -0.96 4.49 -0.11 -3.49 1.01 -1.25 -2.23 120.40 117.86 1dfd s VAL 36 Ca -0.10 -0.86 0.12 0.00 0.00 0.00 0.00 61.98 61.14 1dfd s VAL 36 Cb -0.05 -4.72 -0.17 0.00 0.00 0.00 0.00 36.38 31.45 1dfd s VAL 36 CO 0.03 -1.47 0.09 2.29 0.00 0.00 0.00 175.10 176.05 1dfd n LYS 37 N 7.22 1.60 -3.79 2.72 2.85 0.64 -4.69 118.16 124.72 1dfd n LYS 37 Ca 0.07 -0.03 -0.28 0.00 -1.05 0.00 0.00 58.31 57.02 1dfd n LYS 37 Cb 0.47 -1.33 -0.11 0.00 -0.65 0.00 0.00 35.03 33.40 1dfd n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dfd n ASP 38 N -2.39 2.75 -0.28 -5.58 2.03 -1.15 -4.93 116.55 107.00 1dfd n ASP 38 Ca -0.18 -3.16 0.08 0.00 0.52 0.00 0.00 54.79 52.06 1dfd n ASP 38 Cb 0.82 -0.73 0.21 0.00 -0.72 0.00 0.00 41.12 40.70 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 4.24 0.29 -0.07 5.18 -1.51 -1.86 1.93 116.25 124.44 1dfd h VAL 39 Ca 0.17 -0.04 0.02 0.00 -1.23 0.00 0.00 66.70 65.62 1dfd h VAL 39 Cb 0.76 0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1dfd h VAL 39 CO 0.70 0.02 0.09 -0.33 -1.23 0.00 0.00 177.57 176.82 1dfd h GLU 40 N 0.12 0.00 -0.36 5.19 5.08 -1.94 -0.59 114.58 122.08 1dfd h GLU 40 Ca 0.48 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.94 1dfd h GLU 40 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1dfd h GLU 40 CO -0.70 0.00 0.37 0.78 -1.00 0.00 0.00 179.01 178.46 1dfd h GLY 41 N 0.00 0.00 -5.10 -3.84 0.00 0.28 -3.41 103.07 91.00 1dfd h GLY 41 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1dfd h GLY 41 CO -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.03 1dfd s ALA 42 N -4.65 -0.37 1.03 3.60 0.00 -0.23 -4.15 121.76 116.99 1dfd s ALA 42 Ca -0.04 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1dfd s ALA 42 Cb 0.16 -0.09 0.21 0.00 0.00 0.00 0.00 23.12 23.39 1dfd s ALA 42 CO 0.56 -0.14 1.08 -1.12 0.00 0.00 0.00 175.76 176.14 1dfd s SER 43 N -0.62 2.30 0.06 0.00 0.01 -1.26 -4.64 113.70 109.55 1dfd s SER 43 Ca -0.07 1.28 -0.21 0.00 1.31 0.00 0.00 55.95 58.26 1dfd s SER 43 Cb -0.04 -1.97 -0.13 0.00 0.21 0.00 0.00 66.02 64.09 1dfd s SER 43 CO 0.01 -3.34 1.49 1.56 0.41 0.00 0.00 173.24 173.36 1dfd h GLN 44 N -2.04 0.25 0.00 12.44 7.50 -1.98 0.65 115.11 131.94 1dfd h GLN 44 Ca -0.56 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 58.51 1dfd h GLN 44 Cb 1.33 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.83 1dfd h GLN 44 CO 0.56 0.48 0.00 0.93 -1.50 0.00 0.00 178.83 179.30 1dfd h GLU 45 N -0.01 0.00 0.04 1.46 4.39 -1.99 0.36 114.58 118.83 1dfd h GLU 45 Ca 0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.42 1dfd h GLU 45 Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1dfd h GLU 45 CO 0.01 0.00 -1.76 0.39 -1.16 0.00 0.00 179.01 176.49 1dfd n GLU 46 N -2.65 0.64 -0.30 2.33 1.02 -0.76 -2.57 120.64 118.36 1dfd n GLU 46 Ca -0.02 0.40 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 1dfd n GLU 46 Cb 0.08 -1.69 0.31 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.55 0.91 0.42 2.62 2.07 0.13 -1.30 116.25 120.55 1dfd h VAL 47 Ca -0.43 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1dfd h VAL 47 Cb 1.64 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1dfd h VAL 47 CO -0.12 0.15 -0.20 1.05 0.02 0.00 0.00 177.57 178.47 1dfd h GLU 48 N 0.85 -0.54 -0.88 1.57 4.11 -0.45 -1.98 114.58 117.27 1dfd h GLU 48 Ca 0.44 0.04 0.20 0.00 0.07 0.00 0.00 59.36 60.12 1dfd h GLU 48 Cb 0.53 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.74 1dfd h GLU 48 CO -0.21 -0.23 -0.07 1.49 0.07 0.00 0.00 179.01 180.06 1dfd h GLU 49 N -0.97 0.04 -0.98 1.06 4.57 -1.12 1.51 114.58 118.69 1dfd h GLU 49 Ca -0.06 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1dfd h GLU 49 Cb 0.56 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 1dfd h GLU 49 CO 0.09 0.02 0.63 0.00 -1.18 0.00 0.00 179.01 178.57 1dfd h ALA 50 N 1.86 1.25 -0.81 2.92 0.00 -1.22 -1.35 119.26 121.92 1dfd h ALA 50 Ca 0.48 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1dfd h ALA 50 Cb 0.85 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1dfd h ALA 50 CO -0.83 0.67 0.53 1.98 0.00 0.00 0.00 179.25 181.60 1dfd h MET 51 N 1.34 0.96 0.00 0.00 1.85 0.28 0.20 114.93 119.57 1dfd h MET 51 Ca 0.36 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1dfd h MET 51 Cb -0.11 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 31.70 1dfd h MET 51 CO -0.07 0.64 0.00 -3.47 -0.40 0.00 0.00 176.91 173.60 1dfd n ASP 52 N -4.45 0.00 -3.93 1.39 -0.08 -0.22 -4.20 116.55 105.06 1dfd n ASP 52 Ca 0.11 0.22 -0.32 0.00 -1.51 0.00 0.00 54.79 53.29 1dfd n ASP 52 Cb 0.12 -0.40 -0.09 0.00 2.34 0.00 0.00 41.12 43.09 1dfd n ASP 52 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1dfd n THR 53 N -1.40 2.48 -3.73 5.18 -1.04 0.69 -5.03 114.28 111.43 1dfd n THR 53 Ca 0.10 -5.07 -0.14 0.00 -2.04 0.00 0.00 64.05 56.90 1dfd n THR 53 Cb 0.28 -2.25 -0.09 0.00 -1.82 0.00 0.00 70.33 66.45 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 4.06 0.61 0.00 0.00 0.13 -1.96 -3.35 132.00 131.49 1dfd h PRO 55 Ca -0.29 -0.43 -0.14 0.00 -0.87 0.00 0.00 66.00 64.27 1dfd h PRO 55 Cb 1.17 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1dfd h PRO 55 CO 0.37 1.04 -1.56 1.33 -0.23 0.00 0.00 178.00 178.96 1dfd n VAL 56 N -3.93 0.54 -2.45 1.56 0.24 -1.26 -5.07 118.33 107.95 1dfd n VAL 56 Ca -0.04 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.34 61.88 1dfd n VAL 56 Cb 0.65 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1dfd n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfd n GLN 57 N -2.29 -1.36 -0.32 7.34 6.02 -1.26 -4.95 117.38 120.55 1dfd n GLN 57 Ca -0.13 1.45 0.08 0.00 -0.01 0.00 0.00 57.00 58.39 1dfd n GLN 57 Cb 0.75 -4.33 0.21 0.00 1.02 0.00 0.00 30.24 27.89 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 -2.33 4.72 0.09 0.00 -1.16 -1.26 -1.80 121.20 119.46 1dfd s ILE 59 Ca 0.35 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.44 1dfd s ILE 59 Cb 0.27 -3.13 -0.04 0.00 0.61 0.00 0.00 42.46 40.17 1dfd s ILE 59 CO 0.09 0.46 -0.05 -1.00 -2.81 0.00 0.00 174.94 171.64 1dfd s HIS 60 N 0.40 0.81 0.00 3.50 3.76 -0.93 -4.98 115.29 117.85 1dfd s HIS 60 Ca 0.03 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 1dfd s HIS 60 Cb -0.13 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1dfd s HIS 60 CO 0.00 -0.23 0.00 0.91 -0.85 0.00 0.00 174.74 174.58 1dfd n TRP 61 N -0.02 -2.74 -3.65 1.40 5.03 -1.26 -1.48 117.44 114.72 1dfd n TRP 61 Ca -0.12 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.39 1dfd n TRP 61 Cb 0.61 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.85 1dfd n TRP 61 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1dfd s GLU 62 N -2.91 0.57 0.01 -0.99 2.12 -0.30 -4.45 118.70 112.75 1dfd s GLU 62 Ca 0.00 1.43 -0.26 0.00 0.36 0.00 0.00 54.97 56.50 1dfd s GLU 62 Cb 0.00 0.82 -0.15 0.00 0.26 0.00 0.00 34.13 35.07 1dfd s GLU 62 CO 0.00 -0.20 1.11 0.22 -0.54 0.00 0.00 175.26 175.85 1dfd h ASP 63 N 7.97 -0.71 0.00 -1.70 1.82 -1.96 0.29 116.42 122.14 1dfd h ASP 63 Ca -0.18 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1dfd h ASP 63 Cb 1.11 0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1dfd h ASP 63 CO 0.10 -0.33 0.00 1.21 -1.61 0.00 0.00 179.24 178.61