#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1egr s GLN 2 N 0.00 2.76 -0.30 0.03 1.11 -1.26 -1.12 119.66 120.88 1egr s GLN 2 Ca 0.00 -1.40 -0.14 0.00 0.01 0.00 0.00 55.36 53.83 1egr s GLN 2 Cb 0.00 -3.92 -0.03 0.00 -1.01 0.00 0.00 33.01 28.05 1egr s GLN 2 CO 0.00 -0.97 0.33 0.99 0.01 0.00 0.00 175.29 175.65 1egr s THR 3 N 1.51 5.20 -0.01 -0.19 2.01 -0.10 -0.32 115.64 123.74 1egr s THR 3 Ca 0.03 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1egr s THR 3 Cb -0.23 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1egr s THR 3 CO 0.04 0.07 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.22 1egr s VAL 4 N 1.98 3.13 -0.10 3.82 1.01 -0.16 0.51 120.40 130.59 1egr s VAL 4 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1egr s VAL 4 Cb -0.16 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1egr s VAL 4 CO 0.11 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.92 1egr s ILE 5 N -0.84 3.03 -0.68 2.22 -1.09 0.17 -1.42 121.20 122.58 1egr s ILE 5 Ca 0.14 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1egr s ILE 5 Cb -0.11 -2.24 0.17 0.00 -1.58 0.00 0.00 42.46 38.71 1egr s ILE 5 CO 0.03 0.55 0.48 -0.36 -1.23 0.00 0.00 174.94 174.42 1egr s PHE 6 N -0.06 3.38 0.27 3.97 0.08 0.45 -0.55 117.98 125.51 1egr s PHE 6 Ca -0.03 -3.26 -0.03 0.00 0.12 0.00 0.00 56.93 53.73 1egr s PHE 6 Cb -0.14 -2.56 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1egr s PHE 6 CO 0.04 -0.57 0.41 0.41 -0.10 0.00 0.00 175.22 175.41 1egr n GLY 7 N 2.02 2.19 2.92 4.36 0.00 -1.17 -2.68 105.19 112.83 1egr n GLY 7 Ca 0.21 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1egr n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1egr s ARG 8 N -2.53 1.60 -1.11 1.61 6.06 -1.26 -4.19 118.95 119.12 1egr s ARG 8 Ca 0.21 -2.15 -0.19 0.00 -2.50 0.00 0.00 55.73 51.09 1egr s ARG 8 Cb -0.01 -3.02 -0.06 0.00 0.06 0.00 0.00 34.95 31.92 1egr s ARG 8 CO 0.15 -1.05 1.98 0.45 -2.50 0.00 0.00 175.30 174.32 1egr n SER 9 N 3.70 3.36 -0.34 -2.12 2.88 -1.26 -4.75 113.62 115.08 1egr n SER 9 Ca 0.05 -2.76 0.04 0.00 -1.33 0.00 0.00 58.87 54.86 1egr n SER 9 Cb 0.37 -1.48 0.11 0.00 -0.75 0.00 0.00 64.21 62.45 1egr n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1egr h GLY 10 N 13.42 0.55 -0.01 0.46 0.00 -1.98 -3.42 103.07 112.08 1egr h GLY 10 Ca 0.42 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 48.10 1egr h GLY 10 CO 1.72 -0.33 -0.00 0.00 0.00 0.00 0.00 176.54 177.93 1egr n PRO 12 N -0.42 0.02 0.00 0.00 -0.02 -1.26 -4.46 135.00 128.86 1egr n PRO 12 Ca -0.00 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 1egr n PRO 12 Cb 0.01 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1egr n PRO 12 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1egr n TYR 13 N 10.01 0.00 0.30 6.00 9.36 -1.26 -4.75 117.16 136.81 1egr n TYR 13 Ca 0.29 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.67 1egr n TYR 13 Cb 0.41 0.00 0.94 0.00 -0.63 0.00 0.00 39.34 40.06 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1egr h VAL 15 N 0.00 0.20 0.01 0.00 2.07 -1.86 0.19 116.25 116.86 1egr h VAL 15 Ca -0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1egr h VAL 15 Cb 0.01 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1egr h VAL 15 CO 0.00 0.01 -0.00 0.03 0.02 0.00 0.00 177.57 177.63 1egr h ARG 16 N 0.07 -0.01 -0.80 1.57 2.47 -1.23 0.22 114.38 116.66 1egr h ARG 16 Ca 0.77 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 59.67 1egr h ARG 16 Cb 2.75 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 30.95 1egr h ARG 16 CO -0.18 0.57 0.27 0.00 0.56 0.00 0.00 179.97 181.19 1egr h ALA 17 N 0.40 1.15 0.54 0.04 0.00 -0.88 0.24 119.26 120.75 1egr h ALA 17 Ca -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1egr h ALA 17 Cb 0.58 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1egr h ALA 17 CO 0.00 -0.32 -0.46 -0.22 0.00 0.00 0.00 179.25 178.25 1egr h LYS 18 N 0.34 -0.95 -0.72 0.00 3.11 -0.72 0.86 116.57 118.49 1egr h LYS 18 Ca 0.47 0.06 0.09 0.00 -2.81 0.00 0.00 60.65 58.46 1egr h LYS 18 Cb 0.83 0.22 -0.11 0.00 -1.00 0.00 0.00 32.23 32.16 1egr h LYS 18 CO -0.51 -0.63 -0.50 -0.44 -2.81 0.00 0.00 179.45 174.56 1egr h ASP 19 N -0.98 -1.77 0.01 4.20 5.19 0.23 0.59 116.42 123.88 1egr h ASP 19 Ca -0.06 0.28 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1egr h ASP 19 Cb 0.84 0.79 -0.04 0.00 0.18 0.00 0.00 39.33 41.10 1egr h ASP 19 CO -0.02 -0.31 -0.38 0.25 -3.12 0.00 0.00 179.24 175.65 1egr h LEU 20 N -0.17 -1.18 -0.04 1.55 5.85 -0.33 0.39 115.31 121.38 1egr h LEU 20 Ca 0.17 0.13 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1egr h LEU 20 Cb 0.53 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1egr h LEU 20 CO -0.79 -0.37 -0.29 0.00 -0.34 0.00 0.00 178.44 176.65 1egr h ALA 21 N -0.74 -0.37 -0.66 1.25 0.00 -0.23 -0.36 119.26 118.13 1egr h ALA 21 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1egr h ALA 21 Cb 0.52 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 1egr h ALA 21 CO -0.25 -0.78 -0.28 1.49 0.00 0.00 0.00 179.25 179.42 1egr h GLU 22 N -0.41 -0.09 0.23 0.00 4.81 0.66 0.36 114.58 120.14 1egr h GLU 22 Ca 0.07 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1egr h GLU 22 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1egr h GLU 22 CO -0.27 -0.06 -0.16 -0.22 -0.73 0.00 0.00 179.01 177.57 1egr h LYS 23 N -0.10 -0.37 -0.93 1.92 3.11 0.47 -0.94 116.57 119.73 1egr h LYS 23 Ca 0.28 0.03 0.16 0.00 -2.81 0.00 0.00 60.65 58.31 1egr h LYS 23 Cb 0.55 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 31.76 1egr h LYS 23 CO -0.72 -0.25 0.52 -0.07 -2.81 0.00 0.00 179.45 176.12 1egr h LEU 24 N -0.39 0.67 0.00 5.20 3.38 0.75 0.75 115.31 125.67 1egr h LEU 24 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1egr h LEU 24 Cb 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1egr h LEU 24 CO 0.01 0.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.26 1egr n SER 25 N -4.81 0.00 -1.12 -0.43 3.41 0.10 -1.47 113.62 109.30 1egr n SER 25 Ca 0.20 0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 1egr n SER 25 Cb 0.49 -0.33 0.18 0.00 -0.26 0.00 0.00 64.21 64.29 1egr n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1egr n ASN 26 N -1.33 2.66 0.03 4.04 2.85 0.26 -4.58 115.26 119.19 1egr n ASN 26 Ca 0.09 -3.83 0.00 0.00 -0.11 0.00 0.00 54.58 50.73 1egr n ASN 26 Cb 0.18 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.62 1egr n ASN 26 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1egr n GLU 27 N -1.07 0.00 -0.77 1.20 -0.58 -0.90 -4.97 120.64 113.55 1egr n GLU 27 Ca 0.31 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1egr n GLU 27 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.78 1egr n GLU 27 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1egr n ARG 28 N -2.67 0.65 -0.06 3.49 1.74 -0.54 -5.07 116.66 114.20 1egr n ARG 28 Ca 0.00 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 1egr n ARG 28 Cb 0.00 -0.03 -0.05 0.00 -1.02 0.00 0.00 32.46 31.37 1egr n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1egr n ASP 29 N -2.99 1.15 -0.22 0.55 5.75 -1.26 -4.61 116.55 114.92 1egr n ASP 29 Ca 0.01 0.13 0.05 0.00 -0.01 0.00 0.00 54.79 54.96 1egr n ASP 29 Cb 0.03 -0.34 0.20 0.00 -1.03 0.00 0.00 41.12 39.97 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1egr n ASP 30 N -3.47 0.63 -4.43 -1.12 5.68 -1.26 -4.72 116.55 107.88 1egr n ASP 30 Ca -0.24 -1.84 -0.39 0.00 -0.50 0.00 0.00 54.79 51.82 1egr n ASP 30 Cb 0.68 -0.07 -0.12 0.00 -1.14 0.00 0.00 41.12 40.48 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1egr s PHE 31 N -1.86 3.19 0.14 2.11 2.19 -1.26 0.26 117.98 122.76 1egr s PHE 31 Ca 0.15 -0.66 0.05 0.00 0.33 0.00 0.00 56.93 56.81 1egr s PHE 31 Cb 0.08 -2.37 -0.04 0.00 -1.31 0.00 0.00 43.02 39.37 1egr s PHE 31 CO 0.11 -0.50 -0.12 -0.65 1.83 0.00 0.00 175.22 175.89 1egr s GLN 32 N 1.60 1.06 0.18 10.12 1.11 -0.27 -3.81 119.66 129.66 1egr s GLN 32 Ca 0.04 -1.36 0.06 0.00 0.01 0.00 0.00 55.36 54.10 1egr s GLN 32 Cb -0.17 -0.80 -0.05 0.00 -1.01 0.00 0.00 33.01 30.98 1egr s GLN 32 CO 0.06 0.13 -0.10 1.52 0.01 0.00 0.00 175.29 176.91 1egr s TYR 33 N -2.73 1.49 0.01 0.91 1.13 -1.26 -0.92 117.35 115.97 1egr s TYR 33 Ca 0.13 -0.71 -0.02 0.00 -1.41 0.00 0.00 57.07 55.06 1egr s TYR 33 Cb -0.01 -0.75 -0.01 0.00 -1.10 0.00 0.00 41.96 40.09 1egr s TYR 33 CO 0.02 0.18 0.03 -0.65 -2.51 0.00 0.00 175.55 172.62 1egr s GLN 34 N -3.72 0.35 -0.20 -3.49 1.11 0.18 -4.89 119.66 109.00 1egr s GLN 34 Ca 0.21 -0.49 0.00 0.00 0.01 0.00 0.00 55.36 55.09 1egr s GLN 34 Cb 0.02 0.13 0.05 0.00 -1.01 0.00 0.00 33.01 32.20 1egr s GLN 34 CO 0.04 -0.07 -0.07 -0.47 0.01 0.00 0.00 175.29 174.73 1egr s TYR 35 N -1.32 2.17 0.24 0.91 5.04 -1.26 -0.66 117.35 122.47 1egr s TYR 35 Ca -0.14 -1.48 0.11 0.00 -2.44 0.00 0.00 57.07 53.12 1egr s TYR 35 Cb -0.09 -1.52 -0.05 0.00 0.35 0.00 0.00 41.96 40.66 1egr s TYR 35 CO -0.00 -0.71 -0.13 0.08 -1.34 0.00 0.00 175.55 173.44 1egr s VAL 36 N 1.47 2.85 -0.01 3.14 1.01 0.28 -4.95 120.40 124.21 1egr s VAL 36 Ca -0.02 -2.06 0.06 0.00 0.00 0.00 0.00 61.98 59.96 1egr s VAL 36 Cb -0.17 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1egr s VAL 36 CO -0.07 -0.28 -0.20 -0.62 0.00 0.00 0.00 175.10 173.92 1egr s ASP 37 N -3.26 2.34 0.62 3.32 -1.08 -1.26 -3.03 116.67 114.31 1egr s ASP 37 Ca 0.28 -0.37 0.38 0.00 -0.52 0.00 0.00 52.55 52.31 1egr s ASP 37 Cb -0.07 -0.25 2.04 0.00 -1.46 0.00 0.00 42.92 43.18 1egr s ASP 37 CO 0.15 0.24 2.26 0.16 0.52 0.00 0.00 175.17 178.50 1egr h ILE 38 N 4.62 0.21 0.00 4.11 3.07 -1.88 -2.10 117.51 125.54 1egr h ILE 38 Ca -0.39 -0.13 -0.31 0.00 1.55 0.00 0.00 64.86 65.58 1egr h ILE 38 Cb 1.14 1.10 -0.05 0.00 -0.27 0.00 0.00 36.82 38.75 1egr h ILE 38 CO 0.48 0.02 -1.80 -1.14 -1.05 0.00 0.00 178.15 174.66 1egr n ARG 39 N -3.34 0.57 -0.31 0.16 3.00 -1.26 0.53 116.66 116.00 1egr n ARG 39 Ca -0.02 0.40 0.05 0.00 -0.00 0.00 0.00 57.85 58.27 1egr n ARG 39 Cb 0.12 -1.60 0.14 0.00 0.00 0.00 0.00 32.46 31.12 1egr n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1egr h ALA 40 N -0.81 0.67 -0.98 5.13 0.00 -1.92 0.23 119.26 121.59 1egr h ALA 40 Ca -0.47 0.33 -0.62 0.00 0.00 0.00 0.00 54.91 54.16 1egr h ALA 40 Cb 1.37 0.63 -0.29 0.00 0.00 0.00 0.00 17.79 19.50 1egr h ALA 40 CO -0.28 -0.42 0.79 0.39 0.00 0.00 0.00 179.25 179.73 1egr n GLU 41 N -5.53 2.52 -3.71 0.00 4.71 -0.81 -4.94 120.64 112.88 1egr n GLU 41 Ca 0.14 -3.13 -0.26 0.00 -0.01 0.00 0.00 57.16 53.91 1egr n GLU 41 Cb 0.48 -2.23 0.01 0.00 -1.01 0.00 0.00 31.44 28.69 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1egr n GLY 42 N -0.94 -0.77 3.64 0.62 0.00 0.81 -4.94 105.19 103.60 1egr n GLY 42 Ca 0.61 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.66 1egr n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1egr s ILE 43 N -3.31 3.82 0.44 -0.61 1.01 0.19 -5.01 121.20 117.74 1egr s ILE 43 Ca 0.17 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1egr s ILE 43 Cb -0.10 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1egr s ILE 43 CO 0.67 0.21 0.08 0.42 0.00 0.00 0.00 174.94 176.32 1egr s THR 44 N -1.20 0.84 0.20 2.92 -4.23 -1.26 -4.63 115.64 108.28 1egr s THR 44 Ca 0.22 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 1egr s THR 44 Cb -0.11 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.57 1egr s THR 44 CO 0.14 0.00 1.69 0.50 -0.54 0.00 0.00 174.62 176.41 1egr h LYS 45 N 1.63 0.16 -0.74 3.99 3.64 -1.99 -2.71 116.57 120.56 1egr h LYS 45 Ca -0.39 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.12 1egr h LYS 45 Cb 1.29 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 1egr h LYS 45 CO 0.64 0.11 -0.29 0.93 -2.27 0.00 0.00 179.45 178.56 1egr h GLU 46 N 0.17 -0.07 0.42 1.90 3.07 -1.97 0.74 114.58 118.83 1egr h GLU 46 Ca 0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 1egr h GLU 46 Cb 0.42 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1egr h GLU 46 CO -0.42 -0.05 -0.20 0.22 -1.40 0.00 0.00 179.01 177.17 1egr h ASP 47 N -0.07 -0.48 -0.85 1.42 3.58 -1.90 -0.64 116.42 117.49 1egr h ASP 47 Ca 0.31 -0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.77 1egr h ASP 47 Cb 0.57 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.66 1egr h ASP 47 CO -0.78 -0.13 0.46 -0.07 -2.88 0.00 0.00 179.24 175.84 1egr h LEU 48 N -0.86 0.62 -0.79 2.28 3.38 -1.18 0.69 115.31 119.45 1egr h LEU 48 Ca -0.06 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1egr h LEU 48 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1egr h LEU 48 CO 0.09 0.31 0.51 -0.61 0.09 0.00 0.00 178.44 178.84 1egr h GLN 49 N 0.72 0.99 0.00 1.13 4.15 0.56 0.62 115.11 123.27 1egr h GLN 49 Ca 0.44 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 1egr h GLN 49 Cb 0.52 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1egr h GLN 49 CO -0.31 0.65 -0.06 1.96 -1.93 0.00 0.00 178.83 179.15 1egr h GLN 50 N 1.02 0.00 0.09 1.69 1.08 0.14 0.82 115.11 119.95 1egr h GLN 50 Ca 0.31 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.39 1egr h GLN 50 Cb -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1egr h GLN 50 CO -0.09 0.06 -0.52 0.87 -0.95 0.00 0.00 178.83 178.20 1egr h LYS 51 N 0.00 0.19 0.00 1.46 1.57 0.22 -3.40 116.57 116.61 1egr h LYS 51 Ca -0.00 -0.33 -0.23 0.00 -1.87 0.00 0.00 60.65 58.22 1egr h LYS 51 Cb 0.74 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1egr h LYS 51 CO 0.01 1.16 -1.99 0.00 -0.57 0.00 0.00 179.45 178.06 1egr n ALA 52 N -2.65 1.79 0.00 3.86 0.00 -0.09 -4.87 120.51 118.56 1egr n ALA 52 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1egr n ALA 52 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1egr n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1egr n GLY 53 N 1.98 2.98 2.00 0.00 0.00 0.28 -4.98 105.19 107.46 1egr n GLY 53 Ca -0.21 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1egr n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1egr n LYS 54 N 0.00 -5.57 -1.64 1.61 5.02 -1.26 -4.70 118.16 111.63 1egr n LYS 54 Ca 0.00 3.98 -0.44 0.00 -2.02 0.00 0.00 58.31 59.83 1egr n LYS 54 Cb 0.00 -4.36 -0.01 0.00 -0.02 0.00 0.00 35.03 30.64 1egr n LYS 54 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1egr n PRO 55 N 1.01 1.70 -1.58 1.97 -0.04 -1.26 -5.00 135.00 131.80 1egr n PRO 55 Ca 0.00 0.60 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 1egr n PRO 55 Cb 0.00 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 1egr n PRO 55 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1egr n VAL 56 N 0.46 2.55 0.52 0.52 3.14 -1.26 -4.70 118.33 119.57 1egr n VAL 56 Ca 0.08 -2.33 0.00 0.00 -2.96 0.00 0.00 64.34 59.13 1egr n VAL 56 Cb 0.33 -2.40 0.00 0.00 -1.06 0.00 0.00 33.84 30.71 1egr n VAL 56 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1egr n GLU 57 N 6.99 0.95 0.00 1.45 0.28 -1.26 -4.92 120.64 124.14 1egr n GLU 57 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1egr n GLU 57 Cb 0.41 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.26 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1egr n THR 58 N 0.82 0.00 -4.22 3.84 -2.24 -1.26 -4.50 114.28 106.72 1egr n THR 58 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1egr n THR 58 Cb 0.48 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1egr n THR 58 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1egr s VAL 59 N 0.00 1.19 0.36 2.28 -7.23 -1.26 -4.67 120.40 111.07 1egr s VAL 59 Ca 0.00 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1egr s VAL 59 Cb 0.00 -1.12 0.07 0.00 0.56 0.00 0.00 36.38 35.88 1egr s VAL 59 CO 0.00 -0.17 0.50 -0.81 -0.31 0.00 0.00 175.10 174.31 1egr n PRO 60 N 1.35 0.51 -3.89 4.82 -0.04 -1.26 -5.00 135.00 131.49 1egr n PRO 60 Ca -0.20 -1.63 -0.15 0.00 -0.04 0.00 0.00 63.50 61.47 1egr n PRO 60 Cb 0.54 -0.25 -0.15 0.00 -0.04 0.00 0.00 33.50 33.60 1egr n PRO 60 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1egr s GLN 61 N -3.68 0.13 -0.03 0.54 -0.21 -1.09 -3.96 119.66 111.36 1egr s GLN 61 Ca 0.35 0.06 0.07 0.00 0.02 0.00 0.00 55.36 55.86 1egr s GLN 61 Cb -0.02 -0.27 -0.02 0.00 1.00 0.00 0.00 33.01 33.69 1egr s GLN 61 CO 0.23 -0.08 -0.22 0.42 -2.12 0.00 0.00 175.29 173.52 1egr s ILE 62 N 0.63 2.39 0.06 1.08 1.01 0.53 -0.41 121.20 126.48 1egr s ILE 62 Ca -0.06 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1egr s ILE 62 Cb -0.08 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1egr s ILE 62 CO -0.01 0.57 -0.14 -0.36 0.00 0.00 0.00 174.94 175.00 1egr s PHE 63 N -0.66 1.18 -0.23 3.97 0.40 -0.51 -1.07 117.98 121.06 1egr s PHE 63 Ca 0.11 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1egr s PHE 63 Cb -0.10 -0.68 0.06 0.00 0.51 0.00 0.00 43.02 42.81 1egr s PHE 63 CO -0.00 0.04 -0.09 0.08 0.70 0.00 0.00 175.22 175.95 1egr s VAL 64 N -1.16 1.80 0.00 -0.44 1.01 0.80 -0.99 120.40 121.43 1egr s VAL 64 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1egr s VAL 64 Cb -0.09 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1egr s VAL 64 CO 0.02 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.59 1egr n ASP 65 N 4.58 0.00 0.00 3.32 8.00 0.56 -0.33 116.55 132.68 1egr n ASP 65 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1egr n ASP 65 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1egr n ASP 65 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1egr n GLN 66 N 0.00 0.00 -2.64 -1.24 7.27 -1.26 -5.00 117.38 114.51 1egr n GLN 66 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1egr n GLN 66 Cb 0.00 -0.04 0.04 0.00 2.41 0.00 0.00 30.24 32.65 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1egr s GLN 67 N 0.00 2.61 0.18 3.69 1.11 0.55 -5.09 119.66 122.71 1egr s GLN 67 Ca 0.00 -0.64 0.11 0.00 0.01 0.00 0.00 55.36 54.84 1egr s GLN 67 Cb 0.00 -2.46 -0.04 0.00 -1.01 0.00 0.00 33.01 29.50 1egr s GLN 67 CO 0.00 -0.69 -0.23 -1.58 0.01 0.00 0.00 175.29 172.80 1egr s HIS 68 N -2.79 2.35 -0.03 0.91 2.46 -1.26 -0.14 115.29 116.79 1egr s HIS 68 Ca 0.56 -0.34 -0.02 0.00 0.47 0.00 0.00 55.06 55.72 1egr s HIS 68 Cb -0.10 -1.19 -0.02 0.00 -0.13 0.00 0.00 32.58 31.14 1egr s HIS 68 CO 0.39 0.46 -0.05 -0.89 -2.47 0.00 0.00 174.74 172.18 1egr n ILE 69 N 0.40 0.31 -3.09 0.89 2.08 -0.24 -4.88 119.36 114.82 1egr n ILE 69 Ca -0.14 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1egr n ILE 69 Cb 0.55 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.87 1egr n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1egr n GLY 70 N 2.77 -0.52 0.02 7.39 0.00 -1.24 -4.92 105.19 108.68 1egr n GLY 70 Ca -0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 1egr n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1egr h GLY 71 N 0.00 0.00 -1.38 -0.02 0.00 -1.91 0.15 103.07 99.91 1egr h GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1egr h GLY 71 CO 0.00 0.00 -0.02 -0.47 0.00 0.00 0.00 176.54 176.05 1egr s TYR 72 N -1.26 0.81 0.00 5.60 5.04 -1.26 -4.22 117.35 122.06 1egr s TYR 72 Ca -0.03 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 1egr s TYR 72 Cb 0.00 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1egr s TYR 72 CO 0.04 -1.33 0.00 2.41 -1.34 0.00 0.00 175.55 175.33 1egr n THR 73 N -0.58 0.00 -0.31 4.34 -1.04 -1.26 -4.28 114.28 111.15 1egr n THR 73 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.01 1egr n THR 73 Cb 0.61 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.21 1egr n THR 73 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1egr h ASP 74 N 0.00 -0.95 -1.20 8.00 1.82 -1.96 0.21 116.42 122.33 1egr h ASP 74 Ca 0.00 0.27 0.39 0.00 -0.39 0.00 0.00 57.03 57.29 1egr h ASP 74 Cb 0.00 0.58 -0.13 0.00 0.68 0.00 0.00 39.33 40.46 1egr h ASP 74 CO 0.00 -0.29 0.75 0.15 -1.61 0.00 0.00 179.24 178.24 1egr h PHE 75 N -0.02 0.63 -0.51 0.28 3.57 -1.92 0.11 116.94 119.08 1egr h PHE 75 Ca 0.39 0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.02 1egr h PHE 75 Cb 0.62 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 1egr h PHE 75 CO -0.71 -0.18 -0.06 0.00 -2.23 0.00 0.00 178.31 175.13 1egr h ALA 76 N 1.67 0.42 0.17 2.41 0.00 -0.94 0.58 119.26 123.57 1egr h ALA 76 Ca 0.77 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.86 1egr h ALA 76 Cb 2.24 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 1egr h ALA 76 CO -0.46 -0.42 -0.17 0.00 0.00 0.00 0.00 179.25 178.21 1egr h ALA 77 N 1.49 -0.34 -0.54 0.00 0.00 -0.93 0.02 119.26 118.95 1egr h ALA 77 Ca 0.26 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1egr h ALA 77 Cb 0.39 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1egr h ALA 77 CO -0.48 -0.72 -0.32 2.35 0.00 0.00 0.00 179.25 180.09 1egr h TRP 78 N -0.37 -0.86 -0.88 0.00 7.01 -1.15 0.84 115.95 120.53 1egr h TRP 78 Ca 0.00 0.07 0.09 0.00 2.11 0.00 0.00 58.89 61.17 1egr h TRP 78 Cb 0.36 0.46 -0.07 0.00 -2.10 0.00 0.00 29.16 27.80 1egr h TRP 78 CO -0.14 -0.37 0.53 0.28 -2.79 0.00 0.00 178.44 175.94 1egr h VAL 79 N -0.17 0.94 -0.62 2.65 2.07 -0.42 0.45 116.25 121.15 1egr h VAL 79 Ca 0.22 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1egr h VAL 79 Cb 0.54 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1egr h VAL 79 CO -0.64 0.16 0.09 0.50 0.02 0.00 0.00 177.57 177.70 1egr h LYS 80 N 0.89 1.01 0.00 1.57 3.11 0.25 -3.19 116.57 120.20 1egr h LYS 80 Ca 0.42 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1egr h LYS 80 Cb 0.36 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1egr h LYS 80 CO -0.24 0.94 -0.58 -0.85 -2.81 0.00 0.00 179.45 175.91 1egr n GLU 81 N -4.22 3.55 0.05 1.90 -0.00 0.83 -4.20 120.64 118.55 1egr n GLU 81 Ca 0.04 -0.02 0.11 0.00 -0.00 0.00 0.00 57.16 57.30 1egr n GLU 81 Cb 0.29 -0.92 0.04 0.00 -0.00 0.00 0.00 31.44 30.85 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1egr n ASN 82 N -1.31 0.65 0.00 -1.84 3.02 0.15 -4.64 115.26 111.29 1egr n ASN 82 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1egr n ASN 82 Cb 0.13 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1egr n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1egr n LEU 83 N -2.19 0.00 -3.35 3.41 4.77 -1.21 -4.93 117.00 113.51 1egr n LEU 83 Ca 0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 1egr n LEU 83 Cb 0.47 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1egr n LEU 83 CO 0.40 -0.34 -0.14 0.47 -1.33 0.00 0.00 177.39 176.44 1egr n ASP 84 N -2.17 -0.66 0.00 -1.43 9.92 -1.26 -5.11 116.55 115.84 1egr n ASP 84 Ca 0.00 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1egr n ASP 84 Cb 0.00 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33