#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 2.35 -0.20 3.17 -0.21 -1.26 -0.50 119.66 123.01 1egr s GLN 2 Ca 0.00 -1.54 -0.07 0.00 0.02 0.00 0.00 55.36 53.76 1egr s GLN 2 Cb 0.00 -2.16 0.09 0.00 1.00 0.00 0.00 33.01 31.94 1egr s GLN 2 CO 0.00 0.14 0.43 0.99 -2.12 0.00 0.00 175.29 174.73 1egr s THR 3 N -2.42 -0.57 -0.09 -0.19 2.01 -0.75 -3.26 115.64 110.38 1egr s THR 3 Ca 0.37 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1egr s THR 3 Cb -0.03 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1egr s THR 3 CO 0.22 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.48 1egr s VAL 4 N 2.44 3.91 -0.49 3.82 1.01 0.40 -0.47 120.40 131.03 1egr s VAL 4 Ca -0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1egr s VAL 4 Cb -0.11 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 33.76 1egr s VAL 4 CO -0.13 0.58 0.33 -0.63 0.00 0.00 0.00 175.10 175.25 1egr s ILE 5 N -0.59 3.90 -0.81 2.22 1.09 -0.18 -0.91 121.20 125.92 1egr s ILE 5 Ca 0.09 -2.05 -0.18 0.00 -1.10 0.00 0.00 60.65 57.41 1egr s ILE 5 Cb -0.12 -3.59 0.15 0.00 -1.06 0.00 0.00 42.46 37.84 1egr s ILE 5 CO 0.02 -0.77 0.92 -0.36 -0.10 0.00 0.00 174.94 174.64 1egr s PHE 6 N 1.06 3.26 0.00 3.97 0.40 0.41 -1.57 117.98 125.52 1egr s PHE 6 Ca 0.08 -1.44 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1egr s PHE 6 Cb -0.24 -4.08 0.00 0.00 0.51 0.00 0.00 43.02 39.21 1egr s PHE 6 CO -0.03 -1.30 0.00 0.41 0.70 0.00 0.00 175.22 175.00 1egr n GLY 7 N 4.99 5.28 3.06 4.36 0.00 -1.10 -0.15 105.19 121.63 1egr n GLY 7 Ca 0.12 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 1.93 2.36 -0.57 1.61 6.06 -1.26 -3.39 118.95 125.69 1egr s ARG 8 Ca 0.00 -0.60 -0.07 0.00 -2.50 0.00 0.00 55.73 52.56 1egr s ARG 8 Cb 0.00 -2.04 -0.19 0.00 0.06 0.00 0.00 34.95 32.79 1egr s ARG 8 CO 0.00 -0.12 3.17 0.43 -2.50 0.00 0.00 175.30 176.29 1egr n SER 9 N 4.38 6.07 0.00 -2.12 7.64 -1.26 -3.60 113.62 124.72 1egr n SER 9 Ca -0.18 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1egr n SER 9 Cb 0.51 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1egr n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1egr n GLY 10 N 2.94 0.00 3.65 0.23 0.00 -1.26 -5.07 105.19 105.68 1egr n GLY 10 Ca 0.52 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr n PRO 12 N -0.32 1.16 -0.10 0.00 -0.04 -1.26 -4.07 135.00 130.37 1egr n PRO 12 Ca -0.09 -0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 62.72 1egr n PRO 12 Cb 0.56 -1.72 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1egr n PRO 12 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1egr n TYR 13 N 2.54 0.00 -0.25 0.54 9.36 -1.26 -4.32 117.16 123.77 1egr n TYR 13 Ca 0.23 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.60 1egr n TYR 13 Cb 0.54 -0.57 0.44 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.56 0.22 -0.23 0.00 2.07 -1.81 0.28 116.25 117.34 1egr h VAL 15 Ca 0.45 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 67.76 1egr h VAL 15 Cb 0.89 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1egr h VAL 15 CO -0.19 0.00 -0.66 0.03 0.02 0.00 0.00 177.57 176.77 1egr h ARG 16 N 0.01 0.84 -0.22 1.57 2.47 -0.92 0.80 114.38 118.94 1egr h ARG 16 Ca 0.74 -0.60 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 1egr h ARG 16 Cb 2.92 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 31.32 1egr h ARG 16 CO -0.04 1.22 0.04 0.00 0.56 0.00 0.00 179.97 181.75 1egr h ALA 17 N 0.63 0.30 -0.47 0.04 0.00 -0.64 -0.75 119.26 118.38 1egr h ALA 17 Ca -0.02 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1egr h ALA 17 Cb 1.27 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1egr h ALA 17 CO 0.14 -0.03 -0.02 -0.22 0.00 0.00 0.00 179.25 179.12 1egr h LYS 18 N 0.17 0.09 0.33 0.00 3.64 -1.08 0.29 116.57 120.00 1egr h LYS 18 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1egr h LYS 18 Cb 0.32 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1egr h LYS 18 CO 0.00 0.06 -0.22 0.22 -2.27 0.00 0.00 179.45 177.24 1egr h ASP 19 N 0.09 -0.56 -0.33 4.20 1.82 -0.38 0.48 116.42 121.74 1egr h ASP 19 Ca 0.23 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.98 1egr h ASP 19 Cb 0.35 0.17 -0.08 0.00 0.68 0.00 0.00 39.33 40.45 1egr h ASP 19 CO -0.41 -0.33 -0.19 0.25 -1.61 0.00 0.00 179.24 176.96 1egr h LEU 20 N -0.52 -0.63 -0.18 2.28 5.85 -0.95 0.21 115.31 121.37 1egr h LEU 20 Ca -0.04 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1egr h LEU 20 Cb 0.42 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1egr h LEU 20 CO 0.03 -0.22 -0.14 0.00 -0.34 0.00 0.00 178.44 177.77 1egr h ALA 21 N 1.07 -0.01 -0.28 1.25 0.00 -0.40 0.40 119.26 121.29 1egr h ALA 21 Ca 0.17 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1egr h ALA 21 Cb 0.40 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1egr h ALA 21 CO -0.42 -0.57 0.02 1.49 0.00 0.00 0.00 179.25 179.77 1egr h GLU 22 N -0.15 0.11 -0.07 0.00 4.81 0.10 0.38 114.58 119.76 1egr h GLU 22 Ca 0.11 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1egr h GLU 22 Cb 0.31 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1egr h GLU 22 CO -0.27 0.07 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.54 1egr h LYS 23 N 0.11 -0.41 -0.90 1.92 3.11 0.38 0.34 116.57 121.13 1egr h LYS 23 Ca 0.13 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.15 1egr h LYS 23 Cb 0.17 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.42 1egr h LYS 23 CO -0.21 -0.27 0.58 -0.07 -2.81 0.00 0.00 179.45 176.66 1egr h LEU 24 N -0.43 0.65 -0.95 5.20 3.38 -0.03 0.67 115.31 123.80 1egr h LEU 24 Ca 0.08 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1egr h LEU 24 Cb 0.55 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1egr h LEU 24 CO -0.31 0.32 0.59 -1.28 0.09 0.00 0.00 178.44 177.85 1egr h SER 25 N 0.68 0.89 -0.95 -0.43 0.87 0.34 0.20 113.55 115.15 1egr h SER 25 Ca 0.45 0.03 -0.63 0.00 -1.23 0.00 0.00 61.79 60.42 1egr h SER 25 Cb 0.75 -0.15 -0.26 0.00 -0.44 0.00 0.00 62.40 62.30 1egr h SER 25 CO -0.21 0.52 0.81 -3.20 -0.53 0.00 0.00 176.83 174.22 1egr n ASN 26 N -4.62 7.51 0.04 6.23 4.05 0.23 -3.15 115.26 125.55 1egr n ASN 26 Ca 0.16 -3.67 0.00 0.00 0.45 0.00 0.00 54.58 51.52 1egr n ASN 26 Cb 0.27 -1.00 0.00 0.00 1.23 0.00 0.00 39.78 40.29 1egr n ASN 26 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1egr n GLU 27 N -0.70 0.00 -0.00 1.20 2.13 0.45 -4.93 120.64 118.78 1egr n GLU 27 Ca 0.57 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.46 1egr n GLU 27 Cb 0.63 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.26 1egr n GLU 27 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1egr n ARG 28 N -2.73 1.93 0.00 5.31 1.74 0.27 -4.99 116.66 118.19 1egr n ARG 28 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1egr n ARG 28 Cb 0.00 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1egr n ARG 28 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1egr n ASP 29 N -1.44 0.00 -0.05 0.55 8.00 -1.19 -4.41 116.55 118.01 1egr n ASP 29 Ca 0.02 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.61 1egr n ASP 29 Cb 0.25 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.88 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1egr n ASP 30 N 1.18 0.16 -4.40 -2.24 5.75 -1.26 -4.52 116.55 111.23 1egr n ASP 30 Ca 0.00 -1.45 -0.44 0.00 -0.01 0.00 0.00 54.79 52.89 1egr n ASP 30 Cb 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1egr s PHE 31 N -1.98 3.05 -0.19 2.11 2.19 -1.25 0.31 117.98 122.21 1egr s PHE 31 Ca 0.28 -0.83 0.01 0.00 0.33 0.00 0.00 56.93 56.72 1egr s PHE 31 Cb 0.13 -3.77 0.02 0.00 -1.31 0.00 0.00 43.02 38.09 1egr s PHE 31 CO 0.22 -1.15 -0.17 -0.65 1.83 0.00 0.00 175.22 175.29 1egr s GLN 32 N 2.53 2.92 0.26 10.12 -0.21 0.34 -3.94 119.66 131.68 1egr s GLN 32 Ca 0.12 -0.88 0.08 0.00 0.02 0.00 0.00 55.36 54.69 1egr s GLN 32 Cb -0.23 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1egr s GLN 32 CO 0.08 -0.26 0.15 1.52 -2.12 0.00 0.00 175.29 174.66 1egr s TYR 33 N 1.28 3.02 0.01 0.91 1.13 -1.26 -1.81 117.35 120.62 1egr s TYR 33 Ca 0.03 -0.14 -0.03 0.00 -1.41 0.00 0.00 57.07 55.52 1egr s TYR 33 Cb -0.14 -1.36 -0.01 0.00 -1.10 0.00 0.00 41.96 39.35 1egr s TYR 33 CO -0.11 0.54 0.05 1.14 -2.51 0.00 0.00 175.55 174.66 1egr s GLN 34 N -3.81 0.36 -0.09 -3.49 0.00 0.38 -4.89 119.66 108.12 1egr s GLN 34 Ca 0.33 -0.44 0.01 0.00 -0.00 0.00 0.00 55.36 55.25 1egr s GLN 34 Cb -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 33.01 33.05 1egr s GLN 34 CO 0.24 -0.07 -0.10 -0.47 0.00 0.00 0.00 175.29 174.88 1egr s TYR 35 N -1.26 2.85 0.04 9.60 5.04 -1.26 -1.01 117.35 131.35 1egr s TYR 35 Ca -0.14 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 1egr s TYR 35 Cb -0.08 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.45 1egr s TYR 35 CO 0.00 0.11 -0.06 0.08 -1.34 0.00 0.00 175.55 174.34 1egr s VAL 36 N -0.35 0.41 0.00 3.14 1.01 -0.61 -4.91 120.40 119.10 1egr s VAL 36 Ca 0.04 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 60.90 1egr s VAL 36 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1egr s VAL 36 CO 0.02 -0.53 -0.21 -0.62 0.00 0.00 0.00 175.10 173.76 1egr s ASP 37 N -1.84 3.49 0.39 3.32 -1.08 -1.26 -2.71 116.67 116.98 1egr s ASP 37 Ca -0.08 -0.42 0.18 0.00 -0.52 0.00 0.00 52.55 51.71 1egr s ASP 37 Cb -0.07 -0.51 1.10 0.00 -1.46 0.00 0.00 42.92 41.98 1egr s ASP 37 CO -0.01 0.30 1.75 0.16 0.52 0.00 0.00 175.17 177.88 1egr h ILE 38 N 4.26 0.49 0.03 4.11 3.07 -1.90 -1.11 117.51 126.46 1egr h ILE 38 Ca -0.46 -0.14 -0.14 0.00 1.55 0.00 0.00 64.86 65.67 1egr h ILE 38 Cb 1.14 0.06 0.01 0.00 -0.27 0.00 0.00 36.82 37.76 1egr h ILE 38 CO 0.47 0.07 -0.58 -0.09 -1.05 0.00 0.00 178.15 176.97 1egr h ARG 39 N 0.39 0.35 -0.95 0.16 9.65 -1.89 0.14 114.38 122.23 1egr h ARG 39 Ca 0.62 -0.41 0.15 0.00 -1.10 0.00 0.00 59.98 59.24 1egr h ARG 39 Cb 1.55 0.13 -0.15 0.00 -1.39 0.00 0.00 29.97 30.10 1egr h ARG 39 CO -0.34 1.10 -0.39 0.00 2.80 0.00 0.00 179.97 183.14 1egr h ALA 40 N 0.26 0.10 -0.54 2.80 0.00 -1.61 0.51 119.26 120.79 1egr h ALA 40 Ca -0.08 0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1egr h ALA 40 Cb 1.33 1.00 -0.11 0.00 0.00 0.00 0.00 17.79 20.01 1egr h ALA 40 CO 0.11 -0.64 0.23 0.39 0.00 0.00 0.00 179.25 179.34 1egr n GLU 41 N -5.46 2.72 -3.78 0.00 1.02 -1.15 -4.92 120.64 109.06 1egr n GLU 41 Ca 0.09 -2.08 -0.23 0.00 -0.02 0.00 0.00 57.16 54.92 1egr n GLU 41 Cb 0.39 -1.91 -0.01 0.00 -0.02 0.00 0.00 31.44 29.90 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1egr n GLY 42 N -0.11 -0.32 3.96 0.62 0.00 0.18 -4.90 105.19 104.61 1egr n GLY 42 Ca 0.30 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.08 4.84 0.20 -0.61 1.01 0.45 -5.01 121.20 118.00 1egr s ILE 43 Ca 0.18 -1.03 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1egr s ILE 43 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1egr s ILE 43 CO 0.52 -0.28 -0.24 0.42 0.00 0.00 0.00 174.94 175.36 1egr s THR 44 N -2.05 2.37 0.32 2.92 -4.23 -1.26 -4.73 115.64 108.98 1egr s THR 44 Ca 0.37 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1egr s THR 44 Cb -0.09 -2.14 0.32 0.00 1.34 0.00 0.00 72.50 71.93 1egr s THR 44 CO 0.29 -0.14 1.66 0.50 -0.54 0.00 0.00 174.62 176.39 1egr h LYS 45 N 3.13 0.27 0.50 3.99 3.64 -1.99 -2.12 116.57 123.99 1egr h LYS 45 Ca -0.46 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1egr h LYS 45 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1egr h LYS 45 CO 0.49 0.18 -0.24 0.93 -2.27 0.00 0.00 179.45 178.54 1egr h GLU 46 N 0.28 -0.64 -0.61 1.90 3.07 -1.98 0.27 114.58 116.86 1egr h GLU 46 Ca 0.65 0.04 0.12 0.00 -0.50 0.00 0.00 59.36 59.67 1egr h GLU 46 Cb 1.40 0.15 -0.12 0.00 -0.84 0.00 0.00 28.75 29.34 1egr h GLU 46 CO -0.63 -0.34 -0.16 0.22 -1.40 0.00 0.00 179.01 176.70 1egr h ASP 47 N -0.92 -0.60 -0.29 1.42 1.82 -1.85 0.35 116.42 116.35 1egr h ASP 47 Ca -0.07 0.19 0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1egr h ASP 47 Cb 0.60 0.39 -0.04 0.00 0.68 0.00 0.00 39.33 40.96 1egr h ASP 47 CO 0.11 -0.21 0.02 -0.07 -1.61 0.00 0.00 179.24 177.48 1egr h LEU 48 N -0.01 -0.06 -0.88 2.28 3.38 -1.25 0.21 115.31 118.97 1egr h LEU 48 Ca 0.29 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.56 1egr h LEU 48 Cb 0.46 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.16 1egr h LEU 48 CO -0.64 0.00 0.19 -0.61 0.09 0.00 0.00 178.44 177.47 1egr h GLN 49 N 0.12 0.16 -0.03 1.13 5.75 0.33 0.47 115.11 123.04 1egr h GLN 49 Ca 0.14 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1egr h GLN 49 Cb 0.17 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1egr h GLN 49 CO -0.21 0.10 0.01 0.37 -2.65 0.00 0.00 178.83 176.45 1egr h GLN 50 N 0.16 0.05 -0.48 1.69 4.15 0.96 0.86 115.11 122.50 1egr h GLN 50 Ca 0.55 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 60.05 1egr h GLN 50 Cb 1.11 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 1egr h GLN 50 CO -0.69 0.29 -0.03 -0.22 -1.93 0.00 0.00 178.83 176.25 1egr h LYS 51 N -0.20 0.08 0.00 1.69 1.63 0.27 0.58 116.57 120.62 1egr h LYS 51 Ca 0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1egr h LYS 51 Cb 0.27 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1egr h LYS 51 CO 0.00 0.05 0.00 0.00 -3.45 0.00 0.00 179.45 176.05 1egr h ALA 52 N 1.44 1.00 -4.68 5.00 0.00 -0.43 -3.45 119.26 118.15 1egr h ALA 52 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 1egr h ALA 52 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1egr h ALA 52 CO -0.43 0.00 -0.40 0.41 0.00 0.00 0.00 179.25 178.83 1egr n GLY 53 N 0.78 -0.49 3.14 0.00 0.00 0.30 -4.82 105.19 104.09 1egr n GLY 53 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1egr n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1egr s LYS 54 N -5.48 0.68 -1.03 1.61 -0.14 -1.05 -5.02 119.74 109.32 1egr s LYS 54 Ca 0.19 -0.97 -0.18 0.00 -1.36 0.00 0.00 55.97 53.65 1egr s LYS 54 Cb -0.10 0.26 -0.09 0.00 -1.68 0.00 0.00 37.83 36.23 1egr s LYS 54 CO 0.23 -0.18 2.07 -0.35 -0.76 0.00 0.00 175.35 176.36 1egr n PRO 55 N 0.28 2.04 -3.75 -1.68 -0.04 -1.26 -4.78 135.00 125.81 1egr n PRO 55 Ca -0.16 -2.06 -0.36 0.00 -0.04 0.00 0.00 63.50 60.88 1egr n PRO 55 Cb 0.61 -2.99 -0.10 0.00 -0.04 0.00 0.00 33.50 30.97 1egr n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1egr s VAL 56 N 4.22 5.08 -0.04 0.52 0.11 -1.26 -4.96 120.40 124.07 1egr s VAL 56 Ca 0.53 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1egr s VAL 56 Cb 0.14 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1egr s VAL 56 CO 0.04 0.36 0.37 -0.62 -3.33 0.00 0.00 175.10 171.92 1egr n GLU 57 N 4.26 1.26 -1.67 1.54 -0.58 -1.26 -4.82 120.64 119.37 1egr n GLU 57 Ca -0.15 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 1egr n GLU 57 Cb 0.52 -0.87 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1egr n THR 58 N -0.27 0.00 -4.40 2.62 -2.24 -1.26 -5.16 114.28 103.56 1egr n THR 58 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1egr n THR 58 Cb 0.01 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.48 1.53 0.50 2.28 -7.23 -1.26 -4.47 120.40 111.28 1egr s VAL 59 Ca 0.00 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 57.95 1egr s VAL 59 Cb 0.00 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1egr s VAL 59 CO 0.00 -0.33 0.88 -2.16 -0.31 0.00 0.00 175.10 173.19 1egr s PRO 60 N -3.75 3.70 -0.54 4.82 0.04 -1.26 -4.90 135.00 133.11 1egr s PRO 60 Ca 0.29 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 1egr s PRO 60 Cb 0.04 -2.26 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1egr s PRO 60 CO 0.11 -0.26 0.54 -0.65 0.04 0.00 0.00 177.00 176.77 1egr s GLN 61 N -4.47 3.01 -0.07 4.56 -0.21 0.78 -4.02 119.66 119.24 1egr s GLN 61 Ca 0.53 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 54.25 1egr s GLN 61 Cb -0.10 -4.24 -0.05 0.00 1.00 0.00 0.00 33.01 29.61 1egr s GLN 61 CO 0.41 -1.32 0.48 0.42 -2.12 0.00 0.00 175.29 173.16 1egr s ILE 62 N 1.96 5.10 0.14 1.08 1.01 -0.77 -0.44 121.20 129.27 1egr s ILE 62 Ca 0.06 0.98 0.08 0.00 0.00 0.00 0.00 60.65 61.78 1egr s ILE 62 Cb -0.27 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1egr s ILE 62 CO 0.05 0.40 -0.18 -0.36 0.00 0.00 0.00 174.94 174.85 1egr s PHE 63 N 0.09 1.75 -0.40 3.97 0.40 -0.09 -0.49 117.98 123.22 1egr s PHE 63 Ca 0.26 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1egr s PHE 63 Cb -0.16 -0.90 0.11 0.00 0.51 0.00 0.00 43.02 42.58 1egr s PHE 63 CO 0.12 0.27 0.14 0.08 0.70 0.00 0.00 175.22 176.53 1egr s VAL 64 N -1.79 2.14 0.00 -0.44 1.01 0.11 -0.45 120.40 120.98 1egr s VAL 64 Ca 0.12 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.53 1egr s VAL 64 Cb -0.07 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1egr s VAL 64 CO 0.05 -0.70 0.00 0.47 0.00 0.00 0.00 175.10 174.93 1egr n ASP 65 N 3.89 0.00 0.00 3.32 9.92 -1.20 -0.79 116.55 131.69 1egr n ASP 65 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1egr n ASP 65 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 1egr n ASP 65 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1egr n GLN 66 N 0.00 3.06 -2.55 -1.24 -0.06 -1.26 -5.05 117.38 110.27 1egr n GLN 66 Ca 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.77 1egr n GLN 66 Cb 0.00 -0.66 0.07 0.00 -4.06 0.00 0.00 30.24 25.59 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1egr s GLN 67 N -0.92 2.16 0.13 3.69 -0.21 0.03 -5.06 119.66 119.47 1egr s GLN 67 Ca 0.00 -0.84 0.11 0.00 0.02 0.00 0.00 55.36 54.65 1egr s GLN 67 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1egr s GLN 67 CO 0.00 -1.07 -0.27 -1.58 -2.12 0.00 0.00 175.29 170.25 1egr s HIS 68 N -2.98 2.32 0.01 0.91 5.65 -1.26 0.06 115.29 119.99 1egr s HIS 68 Ca 0.61 -0.38 -0.03 0.00 0.25 0.00 0.00 55.06 55.51 1egr s HIS 68 Cb -0.08 -1.26 -0.02 0.00 -1.18 0.00 0.00 32.58 30.04 1egr s HIS 68 CO 0.42 0.33 -0.07 -0.89 -0.65 0.00 0.00 174.74 173.88 1egr n ILE 69 N 0.95 0.88 0.00 0.89 2.08 0.36 -4.86 119.36 119.66 1egr n ILE 69 Ca -0.18 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1egr n ILE 69 Cb 0.53 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 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 2.94 -0.12 0.15 7.39 0.00 -1.23 -4.79 105.19 109.53 1egr n GLY 70 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1egr n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1egr n GLY 71 N 0.00 -0.29 1.90 -0.02 0.00 -1.26 -1.84 105.19 103.68 1egr n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1egr n GLY 71 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1egr n TYR 72 N -2.01 -1.40 -0.32 1.61 4.19 -1.26 -4.61 117.16 113.36 1egr n TYR 72 Ca 0.00 0.25 0.00 0.00 3.31 0.00 0.00 57.90 61.46 1egr n TYR 72 Cb 0.00 0.50 0.07 0.00 0.49 0.00 0.00 39.34 40.40 1egr n TYR 72 CO 0.00 0.00 0.00 1.79 0.91 0.00 0.00 176.86 179.56 1egr h THR 73 N 0.00 0.07 -0.48 2.97 1.35 -1.99 0.70 112.91 115.54 1egr h THR 73 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.80 1egr h THR 73 Cb 0.04 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.51 1egr h THR 73 CO 0.00 0.00 0.06 0.44 -0.25 0.00 0.00 175.52 175.77 1egr h ASP 74 N -0.03 0.71 0.07 5.36 3.32 -1.89 -0.17 116.42 123.79 1egr h ASP 74 Ca 0.36 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1egr h ASP 74 Cb 0.61 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1egr h ASP 74 CO -0.90 0.74 -0.03 0.15 -1.72 0.00 0.00 179.24 177.47 1egr h PHE 75 N 0.72 -0.09 0.24 4.55 3.57 -0.04 0.50 116.94 126.38 1egr h PHE 75 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1egr h PHE 75 Cb 0.35 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1egr h PHE 75 CO 0.02 0.22 -0.12 0.00 -2.23 0.00 0.00 178.31 176.20 1egr h ALA 76 N 0.49 -0.33 0.61 2.41 0.00 -0.27 0.25 119.26 122.43 1egr h ALA 76 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1egr h ALA 76 Cb 0.35 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1egr h ALA 76 CO 0.02 -0.66 -0.45 0.00 0.00 0.00 0.00 179.25 178.15 1egr h ALA 77 N 0.38 -1.09 -0.65 0.00 0.00 -1.01 -0.51 119.26 116.38 1egr h ALA 77 Ca -0.03 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1egr h ALA 77 Cb 0.28 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1egr h ALA 77 CO 0.06 -1.14 -0.40 2.35 0.00 0.00 0.00 179.25 180.11 1egr h TRP 78 N -1.03 -1.16 -0.46 0.00 7.01 0.11 0.76 115.95 121.18 1egr h TRP 78 Ca -0.07 0.08 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1egr h TRP 78 Cb 0.86 0.60 -0.08 0.00 -2.10 0.00 0.00 29.16 28.44 1egr h TRP 78 CO -0.16 -0.41 -0.51 0.28 -2.79 0.00 0.00 178.44 174.85 1egr h VAL 79 N -0.17 0.00 -1.00 2.65 2.07 -0.16 0.22 116.25 119.85 1egr h VAL 79 Ca 0.22 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.95 1egr h VAL 79 Cb 0.56 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1egr h VAL 79 CO -0.73 0.00 0.61 0.50 0.02 0.00 0.00 177.57 177.97 1egr h LYS 80 N -0.30 0.67 -0.88 1.57 1.63 0.77 0.63 116.57 120.66 1egr h LYS 80 Ca 0.08 -0.04 -0.55 0.00 -0.85 0.00 0.00 60.65 59.29 1egr h LYS 80 Cb 0.51 -0.15 -0.29 0.00 -0.60 0.00 0.00 32.23 31.70 1egr h LYS 80 CO -0.59 0.44 0.46 -0.85 -3.45 0.00 0.00 179.45 175.46 1egr n GLU 81 N -4.80 2.59 0.00 1.90 0.28 -0.07 -3.50 120.64 117.04 1egr n GLU 81 Ca 0.25 -3.33 0.00 0.00 -0.16 0.00 0.00 57.16 53.92 1egr n GLU 81 Cb 0.64 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1egr n ASN 82 N -0.98 0.00 -0.04 -1.84 3.02 -0.40 -4.76 115.26 110.27 1egr n ASN 82 Ca 0.56 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 55.13 1egr n ASN 82 Cb 1.01 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 40.02 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 -1.11 0.05 -0.04 3.41 4.77 0.10 -4.66 117.00 119.52 1egr n LEU 83 Ca 0.00 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1egr n LEU 83 Cb 0.00 0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1egr n LEU 83 CO 0.00 0.19 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.35 1egr n ASP 84 N -2.48 0.96 0.00 -1.43 -0.08 -1.23 -5.07 116.55 107.22 1egr n ASP 84 Ca -0.15 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1egr n ASP 84 Cb 0.80 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32