#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 2.86 -0.51 2.12 -1.52 -1.26 -2.55 119.66 118.80 1egr s GLN 2 Ca 0.00 -1.05 -0.20 0.00 -1.95 0.00 0.00 55.36 52.16 1egr s GLN 2 Cb 0.00 -3.70 0.05 0.00 -0.22 0.00 0.00 33.01 29.14 1egr s GLN 2 CO 0.00 -0.67 0.67 0.99 -0.25 0.00 0.00 175.29 176.03 1egr s THR 3 N 1.55 4.80 -0.10 -0.19 2.01 -0.83 -0.36 115.64 122.52 1egr s THR 3 Ca 0.02 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1egr s THR 3 Cb -0.19 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1egr s THR 3 CO 0.06 -0.83 0.03 -0.69 -0.69 0.00 0.00 174.62 172.51 1egr s VAL 4 N 2.85 4.59 -0.39 3.82 1.01 -0.24 -0.39 120.40 131.64 1egr s VAL 4 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1egr s VAL 4 Cb -0.18 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.33 1egr s VAL 4 CO 0.14 0.59 0.19 -0.63 0.00 0.00 0.00 175.10 175.39 1egr s ILE 5 N -0.76 3.59 -0.96 2.22 -1.09 -0.29 -1.81 121.20 122.10 1egr s ILE 5 Ca 0.12 -1.68 -0.21 0.00 -2.23 0.00 0.00 60.65 56.65 1egr s ILE 5 Cb -0.12 -3.29 0.10 0.00 -1.58 0.00 0.00 42.46 37.57 1egr s ILE 5 CO 0.02 -0.51 1.26 -0.36 -1.23 0.00 0.00 174.94 174.11 1egr s PHE 6 N 1.27 2.88 0.05 3.97 0.40 0.19 -1.50 117.98 125.23 1egr s PHE 6 Ca 0.04 -1.16 0.07 0.00 -0.60 0.00 0.00 56.93 55.28 1egr s PHE 6 Cb -0.22 -4.45 -0.03 0.00 0.51 0.00 0.00 43.02 38.83 1egr s PHE 6 CO -0.01 -1.67 -0.21 0.20 0.70 0.00 0.00 175.22 174.23 1egr s GLY 7 N 4.17 1.13 -0.05 4.36 0.00 -0.65 -1.44 107.32 114.85 1egr s GLY 7 Ca 0.38 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 44.07 1egr s GLY 7 CO -0.09 -1.00 -0.16 1.09 0.00 0.00 0.00 173.10 172.94 1egr s ARG 8 N -1.21 2.47 -1.04 2.90 1.70 -1.26 -3.99 118.95 118.52 1egr s ARG 8 Ca 0.08 -0.72 -0.03 0.00 -0.47 0.00 0.00 55.73 54.58 1egr s ARG 8 Cb -0.09 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.91 1egr s ARG 8 CO 0.02 0.61 0.89 0.43 -1.08 0.00 0.00 175.30 176.17 1egr n SER 9 N 2.34 -4.40 0.00 -2.89 7.64 -1.26 -4.37 113.62 110.68 1egr n SER 9 Ca -0.17 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1egr n SER 9 Cb 0.52 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.85 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 -1.19 0.00 3.63 0.23 0.00 -1.26 -4.89 105.19 101.71 1egr n GLY 10 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 0.05 0.11 0.00 -0.02 -1.26 -0.88 135.00 132.54 1egr n PRO 12 Ca -0.08 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1egr n PRO 12 Cb 0.57 -2.08 0.46 0.00 -0.02 0.00 0.00 33.50 32.43 1egr n PRO 12 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1egr n TYR 13 N -1.79 0.74 -0.06 6.00 4.01 -1.26 -2.82 117.16 121.99 1egr n TYR 13 Ca -0.00 0.27 -0.05 0.00 -0.16 0.00 0.00 57.90 57.95 1egr n TYR 13 Cb 0.43 -0.93 -0.10 0.00 -0.31 0.00 0.00 39.34 38.42 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1egr h VAL 15 N 0.00 0.00 -0.74 0.00 2.07 -1.57 0.21 116.25 116.22 1egr h VAL 15 Ca -0.33 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.33 1egr h VAL 15 Cb 1.72 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1egr h VAL 15 CO 0.02 0.00 0.30 0.03 0.02 0.00 0.00 177.57 177.94 1egr h ARG 16 N -0.18 0.45 0.30 1.57 2.47 -1.85 0.24 114.38 117.37 1egr h ARG 16 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1egr h ARG 16 Cb 0.35 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1egr h ARG 16 CO -0.44 0.30 -0.14 0.00 0.56 0.00 0.00 179.97 180.25 1egr h ALA 17 N 1.52 -0.40 -0.43 0.04 0.00 -1.69 0.55 119.26 118.86 1egr h ALA 17 Ca 0.40 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1egr h ALA 17 Cb 0.58 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1egr h ALA 17 CO -0.38 -0.72 -0.39 -0.22 0.00 0.00 0.00 179.25 177.54 1egr h LYS 18 N -0.40 -0.28 0.18 0.00 3.64 0.95 0.24 116.57 120.91 1egr h LYS 18 Ca -0.04 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1egr h LYS 18 Cb 0.31 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1egr h LYS 18 CO 0.07 -0.18 -0.45 0.22 -2.27 0.00 0.00 179.45 176.83 1egr h ASP 19 N -0.29 -1.33 -0.15 4.20 1.82 -0.31 0.42 116.42 120.78 1egr h ASP 19 Ca 0.16 0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.99 1egr h ASP 19 Cb 0.57 0.49 -0.07 0.00 0.68 0.00 0.00 39.33 41.00 1egr h ASP 19 CO -0.58 -0.53 -0.34 0.25 -1.61 0.00 0.00 179.24 176.42 1egr h LEU 20 N -0.73 -1.07 -0.73 2.28 5.85 -0.16 0.52 115.31 121.27 1egr h LEU 20 Ca 0.00 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1egr h LEU 20 Cb 0.73 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1egr h LEU 20 CO -0.22 -0.37 0.44 0.00 -0.34 0.00 0.00 178.44 177.95 1egr h ALA 21 N 0.38 0.98 -0.38 1.25 0.00 -0.30 -1.56 119.26 119.64 1egr h ALA 21 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1egr h ALA 21 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1egr h ALA 21 CO -0.38 0.16 0.24 1.49 0.00 0.00 0.00 179.25 180.76 1egr h GLU 22 N 0.82 0.47 0.08 0.00 4.81 0.13 0.31 114.58 121.20 1egr h GLU 22 Ca 0.32 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1egr h GLU 22 Cb 0.13 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1egr h GLU 22 CO -0.16 0.31 -0.40 -0.22 -0.73 0.00 0.00 179.01 177.81 1egr h LYS 23 N 0.49 -0.59 -0.85 1.92 1.63 0.93 0.58 116.57 120.68 1egr h LYS 23 Ca 0.15 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.18 1egr h LYS 23 Cb -0.03 0.13 -0.12 0.00 -0.60 0.00 0.00 32.23 31.62 1egr h LYS 23 CO -0.05 -0.40 0.32 -0.07 -3.45 0.00 0.00 179.45 175.81 1egr h LEU 24 N -0.62 0.23 -0.42 5.20 3.38 -0.97 0.48 115.31 122.60 1egr h LEU 24 Ca 0.03 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1egr h LEU 24 Cb 0.66 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1egr h LEU 24 CO -0.26 -0.00 0.24 -1.28 0.09 0.00 0.00 178.44 177.23 1egr h SER 25 N 0.37 0.37 -0.69 -0.43 0.87 0.14 -1.68 113.55 112.50 1egr h SER 25 Ca 0.51 0.01 -0.43 0.00 -1.23 0.00 0.00 61.79 60.65 1egr h SER 25 Cb 0.93 -0.06 -0.18 0.00 -0.44 0.00 0.00 62.40 62.65 1egr h SER 25 CO -0.52 0.26 0.52 -3.20 -0.53 0.00 0.00 176.83 173.36 1egr n ASN 26 N -4.87 6.74 0.04 6.23 4.05 0.18 -3.78 115.26 123.85 1egr n ASN 26 Ca 0.02 -3.24 0.00 0.00 0.45 0.00 0.00 54.58 51.80 1egr n ASN 26 Cb 0.08 -1.07 0.00 0.00 1.23 0.00 0.00 39.78 40.02 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 0.15 0.00 -4.37 1.20 4.07 -0.35 -4.92 120.64 116.42 1egr n GLU 27 Ca 0.39 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 57.25 1egr n GLU 27 Cb 0.58 -0.12 -0.12 0.00 -0.06 0.00 0.00 31.44 31.73 1egr n GLU 27 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1egr s ARG 28 N -1.39 1.36 -0.35 5.31 3.00 -0.78 -5.04 118.95 121.07 1egr s ARG 28 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 55.73 54.34 1egr s ARG 28 Cb 0.00 -1.61 0.44 0.00 0.00 0.00 0.00 34.95 33.78 1egr s ARG 28 CO 0.00 0.35 1.73 -0.25 0.00 0.00 0.00 175.30 177.13 1egr n ASP 29 N 0.47 4.33 -0.01 0.23 9.92 -1.26 -3.38 116.55 126.84 1egr n ASP 29 Ca -0.14 -3.19 0.01 0.00 -0.53 0.00 0.00 54.79 50.94 1egr n ASP 29 Cb 0.56 -0.80 -0.05 0.00 -0.64 0.00 0.00 41.12 40.18 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1egr n ASP 30 N -0.56 3.41 -4.50 -2.24 5.75 -1.26 -4.94 116.55 112.22 1egr n ASP 30 Ca 0.43 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.83 1egr n ASP 30 Cb 1.17 1.11 -0.12 0.00 -1.03 0.00 0.00 41.12 42.24 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 -2.38 3.17 0.01 2.11 2.19 -1.22 -4.65 117.98 117.21 1egr s PHE 31 Ca -0.03 -0.27 0.04 0.00 0.33 0.00 0.00 56.93 57.00 1egr s PHE 31 Cb 0.04 -2.34 -0.01 0.00 -1.31 0.00 0.00 43.02 39.39 1egr s PHE 31 CO 0.28 -0.32 -0.13 -0.65 1.83 0.00 0.00 175.22 176.23 1egr s GLN 32 N 1.67 0.98 0.27 10.12 -1.52 -1.06 -3.70 119.66 126.43 1egr s GLN 32 Ca 0.06 -0.57 0.11 0.00 -1.95 0.00 0.00 55.36 53.01 1egr s GLN 32 Cb -0.16 -0.96 -0.05 0.00 -0.22 0.00 0.00 33.01 31.62 1egr s GLN 32 CO 0.07 0.25 -0.14 1.52 -0.25 0.00 0.00 175.29 176.75 1egr s TYR 33 N -0.52 2.43 0.01 0.91 1.13 -1.26 -1.96 117.35 118.09 1egr s TYR 33 Ca 0.03 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 1egr s TYR 33 Cb -0.06 -1.06 -0.01 0.00 -1.10 0.00 0.00 41.96 39.73 1egr s TYR 33 CO 0.00 0.68 -0.01 -1.14 -2.51 0.00 0.00 175.55 172.57 1egr s GLN 34 N -3.55 0.12 -0.13 -3.49 0.74 0.47 -4.90 119.66 108.93 1egr s GLN 34 Ca 0.30 -0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.50 1egr s GLN 34 Cb -0.06 -0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.01 1egr s GLN 34 CO 0.17 -0.00 0.01 -0.47 -0.55 0.00 0.00 175.29 174.45 1egr s TYR 35 N -0.39 3.17 0.05 1.67 6.14 -1.26 -1.14 117.35 125.59 1egr s TYR 35 Ca -0.04 0.07 -0.00 0.00 0.64 0.00 0.00 57.07 57.74 1egr s TYR 35 Cb -0.03 -1.90 -0.03 0.00 0.42 0.00 0.00 41.96 40.42 1egr s TYR 35 CO -0.00 0.30 -0.04 0.54 0.64 0.00 0.00 175.55 176.98 1egr s VAL 36 N -0.32 0.30 0.27 3.14 0.11 -0.56 -4.91 120.40 118.43 1egr s VAL 36 Ca 0.07 -1.57 0.11 0.00 -2.93 0.00 0.00 61.98 57.67 1egr s VAL 36 Cb -0.12 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1egr s VAL 36 CO 0.02 -0.81 -0.19 -0.62 -3.33 0.00 0.00 175.10 170.17 1egr s ASP 37 N -2.50 3.44 0.17 3.54 2.15 -1.26 -1.64 116.67 120.58 1egr s ASP 37 Ca 0.01 -1.03 0.03 0.00 0.43 0.00 0.00 52.55 51.99 1egr s ASP 37 Cb 0.02 -0.28 0.02 0.00 -0.30 0.00 0.00 42.92 42.38 1egr s ASP 37 CO -0.06 0.00 1.40 0.16 -0.17 0.00 0.00 175.17 176.50 1egr h ILE 38 N 2.31 1.50 0.05 4.11 3.07 -1.90 -3.05 117.51 123.59 1egr h ILE 38 Ca -0.40 -2.59 -0.25 0.00 1.55 0.00 0.00 64.86 63.18 1egr h ILE 38 Cb 1.25 2.44 0.01 0.00 -0.27 0.00 0.00 36.82 40.25 1egr h ILE 38 CO 0.60 0.75 -1.05 -0.09 -1.05 0.00 0.00 178.15 177.31 1egr h ARG 39 N 0.10 0.39 -0.43 0.16 2.43 -1.94 0.82 114.38 115.91 1egr h ARG 39 Ca -0.04 -0.48 0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1egr h ARG 39 Cb 1.47 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 31.08 1egr h ARG 39 CO 0.13 1.16 -0.27 0.00 -1.51 0.00 0.00 179.97 179.47 1egr h ALA 40 N 0.66 -0.04 0.06 2.80 0.00 -1.97 -3.12 119.26 117.65 1egr h ALA 40 Ca -0.10 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1egr h ALA 40 Cb 1.72 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 1egr h ALA 40 CO 0.18 -0.65 -1.17 0.93 0.00 0.00 0.00 179.25 178.54 1egr h GLU 41 N -0.19 0.14 0.00 0.00 5.08 -1.57 -3.50 114.58 114.54 1egr h GLU 41 Ca 0.20 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1egr h GLU 41 Cb 0.50 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1egr h GLU 41 CO -0.54 1.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 1egr n GLY 42 N 1.64 0.74 3.81 -3.84 0.00 0.25 -5.11 105.19 102.68 1egr n GLY 42 Ca -0.25 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.54 4.19 0.04 -0.61 1.01 0.72 -5.00 121.20 121.02 1egr s ILE 43 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1egr s ILE 43 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1egr s ILE 43 CO 0.00 -0.33 0.00 0.35 0.00 0.00 0.00 174.94 174.96 1egr n THR 44 N -1.17 0.00 0.04 2.92 -2.24 -1.26 -4.72 114.28 107.85 1egr n THR 44 Ca -0.07 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1egr n THR 44 Cb 0.58 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 1egr n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1egr n LYS 45 N -0.12 0.62 -0.03 -0.78 3.00 -1.26 -3.04 118.16 116.54 1egr n LYS 45 Ca -0.02 0.17 -0.14 0.00 -0.00 0.00 0.00 58.31 58.32 1egr n LYS 45 Cb 0.06 -1.79 -0.10 0.00 0.00 0.00 0.00 35.03 33.20 1egr n LYS 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1egr h GLU 46 N 0.00 0.20 -0.95 1.64 3.07 -1.98 0.23 114.58 116.80 1egr h GLU 46 Ca -0.13 -0.15 0.06 0.00 -0.50 0.00 0.00 59.36 58.64 1egr h GLU 46 Cb 1.43 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.31 1egr h GLU 46 CO 0.03 0.79 0.62 0.22 -1.40 0.00 0.00 179.01 179.27 1egr h ASP 47 N -0.34 0.97 -0.24 1.42 3.58 -1.98 0.09 116.42 119.91 1egr h ASP 47 Ca -0.01 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1egr h ASP 47 Cb 0.81 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1egr h ASP 47 CO 0.04 0.62 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.94 1egr h LEU 48 N 1.10 0.42 -0.72 2.28 3.38 -1.44 -1.28 115.31 119.05 1egr h LEU 48 Ca 0.41 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1egr h LEU 48 Cb 0.18 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.69 1egr h LEU 48 CO -0.16 0.63 -0.10 -0.61 0.09 0.00 0.00 178.44 178.30 1egr h GLN 49 N 0.20 0.04 0.83 1.13 4.15 0.13 0.83 115.11 122.43 1egr h GLN 49 Ca 0.07 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1egr h GLN 49 Cb 0.42 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1egr h GLN 49 CO 0.01 0.03 -0.45 0.37 -1.93 0.00 0.00 178.83 176.86 1egr h GLN 50 N 0.04 -1.14 0.00 1.69 -0.00 -0.88 0.59 115.11 115.42 1egr h GLN 50 Ca 0.37 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 1egr h GLN 50 Cb 0.61 0.26 0.00 0.00 0.00 0.00 0.00 27.48 28.34 1egr h GLN 50 CO -0.69 -0.76 0.00 1.63 0.00 0.00 0.00 178.83 179.00 1egr n LYS 51 N -5.61 0.16 -0.08 1.69 5.02 -0.49 -2.40 118.16 116.45 1egr n LYS 51 Ca -0.15 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1egr n LYS 51 Cb 0.48 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 1egr n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1egr n ALA 52 N -1.27 1.62 -2.77 7.82 0.00 0.28 -4.85 120.51 121.32 1egr n ALA 52 Ca 0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 53.44 52.46 1egr n ALA 52 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 2.26 -0.49 2.91 0.00 0.00 0.20 -4.81 105.19 105.26 1egr n GLY 53 Ca -0.28 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1egr n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1egr s LYS 54 N -5.34 0.08 0.00 1.61 2.20 -1.26 -5.11 119.74 111.92 1egr s LYS 54 Ca 0.13 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1egr s LYS 54 Cb -0.07 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 1egr s LYS 54 CO 0.16 -0.28 0.00 -2.30 -0.36 0.00 0.00 175.35 172.56 1egr n PRO 55 N 5.19 0.00 -0.10 4.03 -0.02 -1.26 -4.60 135.00 138.24 1egr n PRO 55 Ca -0.08 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 1egr n PRO 55 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 1egr n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1egr n VAL 56 N 0.00 1.50 -2.56 -1.45 0.31 -1.26 -4.78 118.33 110.10 1egr n VAL 56 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1egr n VAL 56 Cb 0.00 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.80 1egr n VAL 56 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1egr n GLU 57 N -4.43 0.00 0.00 5.55 1.02 -1.26 -4.90 120.64 116.62 1egr n GLU 57 Ca -0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1egr n GLU 57 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 1egr n GLU 57 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1egr n THR 58 N -0.04 0.00 -4.17 2.62 5.66 -1.26 -5.16 114.28 111.93 1egr n THR 58 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1egr n THR 58 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1egr n THR 58 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1egr s VAL 59 N 0.75 3.82 0.50 1.08 -7.23 -1.26 -4.41 120.40 113.65 1egr s VAL 59 Ca 0.00 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1egr s VAL 59 Cb 0.00 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1egr s VAL 59 CO 0.00 0.03 0.72 -2.16 -0.31 0.00 0.00 175.10 173.39 1egr s PRO 60 N -2.53 2.80 -0.11 4.82 0.04 -1.26 -4.96 135.00 133.80 1egr s PRO 60 Ca 0.26 -0.64 0.02 0.00 0.04 0.00 0.00 61.00 60.68 1egr s PRO 60 Cb -0.11 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1egr s PRO 60 CO 0.18 -0.50 -0.18 -0.65 0.04 0.00 0.00 177.00 175.89 1egr s GLN 61 N -4.66 3.13 -0.01 4.56 -0.21 -0.52 -4.23 119.66 117.71 1egr s GLN 61 Ca 0.53 -0.78 -0.00 0.00 0.02 0.00 0.00 55.36 55.13 1egr s GLN 61 Cb -0.10 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1egr s GLN 61 CO 0.38 0.24 0.07 0.42 -2.12 0.00 0.00 175.29 174.29 1egr s ILE 62 N 0.23 4.67 0.04 1.08 1.01 0.88 -0.64 121.20 128.46 1egr s ILE 62 Ca -0.12 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1egr s ILE 62 Cb -0.16 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1egr s ILE 62 CO 0.06 0.37 -0.08 -0.36 0.00 0.00 0.00 174.94 174.94 1egr s PHE 63 N -1.16 0.67 -0.53 3.97 0.40 -0.75 -0.13 117.98 120.44 1egr s PHE 63 Ca 0.22 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1egr s PHE 63 Cb -0.12 -0.41 0.14 0.00 0.51 0.00 0.00 43.02 43.14 1egr s PHE 63 CO 0.13 -0.07 0.32 0.08 0.70 0.00 0.00 175.22 176.38 1egr s VAL 64 N -1.20 3.23 0.00 -0.44 1.01 0.82 -1.07 120.40 122.75 1egr s VAL 64 Ca -0.08 -2.83 0.00 0.00 0.00 0.00 0.00 61.98 59.07 1egr s VAL 64 Cb -0.09 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1egr s VAL 64 CO 0.00 -0.80 0.00 0.47 0.00 0.00 0.00 175.10 174.77 1egr n ASP 65 N 3.66 0.00 0.00 3.32 9.92 0.51 -0.44 116.55 133.53 1egr n ASP 65 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1egr n ASP 65 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1egr n GLN 66 N 0.00 3.27 -2.47 -1.24 6.02 -1.26 -4.98 117.38 116.72 1egr n GLN 66 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1egr n GLN 66 Cb 0.00 -0.43 -0.03 0.00 1.02 0.00 0.00 30.24 30.80 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1egr s GLN 67 N -0.48 4.42 -0.00 -1.09 -0.21 0.41 -5.01 119.66 117.70 1egr s GLN 67 Ca 0.00 1.69 -0.19 0.00 0.02 0.00 0.00 55.36 56.89 1egr s GLN 67 Cb 0.00 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.51 1egr s GLN 67 CO 0.00 -0.30 0.53 -1.58 -2.12 0.00 0.00 175.29 171.82 1egr s HIS 68 N 1.49 3.70 -0.16 0.91 5.65 -1.26 -0.13 115.29 125.49 1egr s HIS 68 Ca 0.57 1.13 -0.08 0.00 0.25 0.00 0.00 55.06 56.92 1egr s HIS 68 Cb -0.27 -2.50 -0.07 0.00 -1.18 0.00 0.00 32.58 28.56 1egr s HIS 68 CO 0.26 0.45 -0.21 -0.89 -0.65 0.00 0.00 174.74 173.70 1egr n ILE 69 N 2.42 0.89 0.00 0.89 2.08 0.81 -4.94 119.36 121.51 1egr n ILE 69 Ca -0.09 -0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1egr n ILE 69 Cb 0.51 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 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 2.00 0.17 1.47 7.39 0.00 -1.05 -4.75 105.19 110.42 1egr n GLY 70 Ca -0.31 -1.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 0.97 0.10 -0.02 0.00 -1.26 -0.09 105.19 104.89 1egr n GLY 71 Ca 0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1egr n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1egr h TYR 72 N -0.36 -0.15 -0.83 1.61 3.20 -1.84 0.16 116.97 118.75 1egr h TYR 72 Ca -0.12 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 61.93 1egr h TYR 72 Cb 0.46 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.63 1egr h TYR 72 CO 0.00 -0.09 -0.09 1.79 -1.64 0.00 0.00 178.16 178.13 1egr h THR 73 N -0.17 0.21 0.65 1.81 1.35 -1.97 0.24 112.91 115.03 1egr h THR 73 Ca -0.02 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 1egr h THR 73 Cb 0.13 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.71 1egr h THR 73 CO 0.03 0.01 -0.38 0.44 -0.25 0.00 0.00 175.52 175.37 1egr h ASP 74 N 0.04 -0.93 -0.38 5.36 5.19 -1.78 -0.51 116.42 123.41 1egr h ASP 74 Ca 0.44 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.98 1egr h ASP 74 Cb 0.76 0.27 -0.09 0.00 0.18 0.00 0.00 39.33 40.45 1egr h ASP 74 CO -0.80 -0.60 -0.31 0.15 -3.12 0.00 0.00 179.24 174.56 1egr h PHE 75 N -0.96 -0.85 -0.15 4.55 3.57 0.11 0.35 116.94 123.56 1egr h PHE 75 Ca -0.08 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1egr h PHE 75 Cb 0.77 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1egr h PHE 75 CO -0.08 -0.37 -0.22 0.00 -2.23 0.00 0.00 178.31 175.41 1egr h ALA 76 N 0.78 -0.17 -0.02 2.41 0.00 -0.38 0.65 119.26 122.54 1egr h ALA 76 Ca 0.17 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1egr h ALA 76 Cb 0.53 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1egr h ALA 76 CO -0.52 -0.67 -0.51 0.00 0.00 0.00 0.00 179.25 177.55 1egr h ALA 77 N 0.73 -0.86 -0.44 0.00 0.00 0.09 0.35 119.26 119.12 1egr h ALA 77 Ca 0.11 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1egr h ALA 77 Cb 0.43 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1egr h ALA 77 CO -0.30 -1.07 -0.26 2.35 0.00 0.00 0.00 179.25 179.97 1egr h TRP 78 N -0.64 -0.68 -0.73 0.00 7.01 0.45 0.26 115.95 121.63 1egr h TRP 78 Ca 0.03 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.18 1egr h TRP 78 Cb 0.70 0.37 -0.07 0.00 -2.10 0.00 0.00 29.16 28.06 1egr h TRP 78 CO -0.50 -0.33 0.37 0.28 -2.79 0.00 0.00 178.44 175.46 1egr h VAL 79 N -0.17 0.84 0.00 2.65 2.07 -0.35 0.24 116.25 121.53 1egr h VAL 79 Ca 0.20 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1egr h VAL 79 Cb 0.49 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1egr h VAL 79 CO -0.54 0.11 0.00 1.17 0.02 0.00 0.00 177.57 178.33 1egr n LYS 80 N -4.86 0.92 0.00 1.57 3.00 0.80 -1.47 118.16 118.12 1egr n LYS 80 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1egr n LYS 80 Cb 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1egr n LYS 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1egr n GLU 81 N -0.44 1.05 -0.07 1.64 1.02 0.42 -4.59 120.64 119.67 1egr n GLU 81 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1egr n GLU 81 Cb 0.03 -0.85 -0.15 0.00 -0.02 0.00 0.00 31.44 30.44 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1egr n ASN 82 N -1.97 0.27 -0.43 1.62 3.02 0.54 -4.52 115.26 113.80 1egr n ASN 82 Ca 0.00 0.13 0.07 0.00 -0.03 0.00 0.00 54.58 54.75 1egr n ASN 82 Cb 0.35 0.71 0.18 0.00 -0.61 0.00 0.00 39.78 40.42 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 -2.82 2.65 -2.42 3.41 4.77 -0.54 -4.73 117.00 117.32 1egr n LEU 83 Ca -0.27 -3.59 -0.36 0.00 -0.03 0.00 0.00 56.01 51.77 1egr n LEU 83 Cb 1.10 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.77 1egr n LEU 83 CO 0.44 1.13 1.47 -0.67 -1.33 0.00 0.00 177.39 178.43 1egr n ASP 84 N -1.23 7.68 0.00 -1.43 2.03 -1.21 -4.92 116.55 117.47 1egr n ASP 84 Ca 0.18 -3.80 0.00 0.00 0.52 0.00 0.00 54.79 51.70 1egr n ASP 84 Cb 0.69 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28