#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 3.39 0.06 3.17 1.11 -1.26 -3.62 119.66 122.51 1egr s GLN 2 Ca 0.00 -0.78 0.08 0.00 0.01 0.00 0.00 55.36 54.67 1egr s GLN 2 Cb 0.00 -2.87 -0.03 0.00 -1.01 0.00 0.00 33.01 29.10 1egr s GLN 2 CO 0.00 0.36 -0.21 0.99 0.01 0.00 0.00 175.29 176.44 1egr s THR 3 N -2.02 1.69 -0.03 -0.19 2.01 0.66 0.92 115.64 118.67 1egr s THR 3 Ca 0.36 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1egr s THR 3 Cb -0.09 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.94 1egr s THR 3 CO 0.30 0.12 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.59 1egr s VAL 4 N -0.92 0.61 -0.17 3.82 1.01 0.20 -0.38 120.40 124.56 1egr s VAL 4 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1egr s VAL 4 Cb -0.09 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1egr s VAL 4 CO 0.03 0.22 -0.17 -0.63 0.00 0.00 0.00 175.10 174.54 1egr s ILE 5 N 0.54 2.34 -0.26 2.22 1.09 0.51 -0.09 121.20 127.55 1egr s ILE 5 Ca -0.08 -0.86 -0.02 0.00 -1.10 0.00 0.00 60.65 58.60 1egr s ILE 5 Cb -0.11 -1.99 0.03 0.00 -1.06 0.00 0.00 42.46 39.33 1egr s ILE 5 CO 0.00 0.52 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.96 1egr s PHE 6 N 1.13 3.13 -4.76 3.97 0.08 -0.58 -2.11 117.98 118.84 1egr s PHE 6 Ca 0.01 -1.65 0.00 0.00 0.12 0.00 0.00 56.93 55.41 1egr s PHE 6 Cb -0.14 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 1egr s PHE 6 CO -0.07 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 1egr n GLY 7 N 4.65 -1.32 3.54 4.36 0.00 -1.09 -1.94 105.19 113.39 1egr n GLY 7 Ca -0.15 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 1egr n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1egr s ARG 8 N -1.91 1.85 0.51 1.61 1.70 -1.26 -3.48 118.95 117.98 1egr s ARG 8 Ca 0.00 -2.09 0.01 0.00 -0.47 0.00 0.00 55.73 53.18 1egr s ARG 8 Cb 0.00 -0.98 -0.00 0.00 -0.57 0.00 0.00 34.95 33.40 1egr s ARG 8 CO 0.00 -0.29 0.03 -1.13 -1.08 0.00 0.00 175.30 172.84 1egr n SER 9 N -0.99 3.02 0.00 -2.89 3.41 -1.26 -3.77 113.62 111.14 1egr n SER 9 Ca -0.06 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.24 1egr n SER 9 Cb 0.66 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1egr n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1egr n GLY 10 N -1.23 3.58 2.83 5.00 0.00 -1.26 -4.99 105.19 109.12 1egr n GLY 10 Ca -0.19 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 4.67 -0.17 0.00 0.00 -0.04 -1.26 -4.67 135.00 133.54 1egr n PRO 12 Ca -0.01 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1egr n PRO 12 Cb 0.42 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1egr n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1egr n TYR 13 N -4.77 0.00 0.21 0.54 4.01 -1.26 -0.54 117.16 115.34 1egr n TYR 13 Ca 0.04 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.80 1egr n TYR 13 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.37 0.04 -0.55 0.00 2.07 -1.11 0.45 116.25 117.52 1egr h VAL 15 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1egr h VAL 15 Cb 0.14 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1egr h VAL 15 CO 0.00 0.00 0.36 -0.09 0.02 0.00 0.00 177.57 177.86 1egr h ARG 16 N -0.16 0.73 0.16 1.57 1.12 -1.86 -0.44 114.38 115.50 1egr h ARG 16 Ca 0.19 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 1egr h ARG 16 Cb 0.53 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1egr h ARG 16 CO -0.79 0.48 -0.08 0.00 -3.11 0.00 0.00 179.97 176.48 1egr h ALA 17 N 1.65 -0.21 -0.31 2.80 0.00 -0.57 0.54 119.26 123.15 1egr h ALA 17 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1egr h ALA 17 Cb -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1egr h ALA 17 CO -0.04 -0.59 -0.11 -0.22 0.00 0.00 0.00 179.25 178.29 1egr h LYS 18 N -0.27 -0.04 0.27 0.00 1.63 0.29 0.47 116.57 118.91 1egr h LYS 18 Ca -0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1egr h LYS 18 Cb 0.21 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1egr h LYS 18 CO 0.04 -0.03 -0.13 0.22 -3.45 0.00 0.00 179.45 176.10 1egr h ASP 19 N -0.05 -0.31 -0.33 4.20 1.82 -0.93 0.17 116.42 121.00 1egr h ASP 19 Ca 0.15 -0.18 0.07 0.00 -0.39 0.00 0.00 57.03 56.68 1egr h ASP 19 Cb 0.28 0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.29 1egr h ASP 19 CO -0.34 0.03 -0.27 0.25 -1.61 0.00 0.00 179.24 177.30 1egr h LEU 20 N -0.68 -0.88 -0.26 2.28 5.85 0.27 0.12 115.31 122.00 1egr h LEU 20 Ca -0.04 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1egr h LEU 20 Cb 0.47 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1egr h LEU 20 CO 0.06 -0.29 0.03 0.00 -0.34 0.00 0.00 178.44 177.90 1egr h ALA 21 N 0.84 0.25 -0.23 1.25 0.00 -0.08 -1.79 119.26 119.51 1egr h ALA 21 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1egr h ALA 21 Cb 0.49 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1egr h ALA 21 CO -0.46 -0.39 -0.39 1.49 0.00 0.00 0.00 179.25 179.50 1egr h GLU 22 N 0.12 -0.31 -0.68 0.00 4.57 0.99 0.61 114.58 119.88 1egr h GLU 22 Ca 0.12 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.46 1egr h GLU 22 Cb 0.14 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 28.67 1egr h GLU 22 CO -0.18 -0.21 -0.17 -0.22 -1.18 0.00 0.00 179.01 177.05 1egr h LYS 23 N -0.32 -0.00 -0.61 1.92 3.11 -0.54 0.21 116.57 120.33 1egr h LYS 23 Ca 0.04 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.79 1egr h LYS 23 Cb 0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1egr h LYS 23 CO -0.39 -0.00 0.01 -0.07 -2.81 0.00 0.00 179.45 176.19 1egr h LEU 24 N -0.00 1.06 -0.93 5.20 3.38 -0.70 -2.93 115.31 120.39 1egr h LEU 24 Ca 0.32 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1egr h LEU 24 Cb 0.50 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1egr h LEU 24 CO -0.70 1.10 0.60 -1.28 0.09 0.00 0.00 178.44 178.26 1egr h SER 25 N 0.98 0.99 -0.45 -0.43 0.87 0.31 0.19 113.55 116.02 1egr h SER 25 Ca 0.17 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.50 1egr h SER 25 Cb 0.56 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.16 1egr h SER 25 CO 0.03 0.68 0.29 -3.20 -0.53 0.00 0.00 176.83 174.10 1egr n ASN 26 N -4.51 3.34 0.05 6.23 5.15 0.37 -3.93 115.26 121.95 1egr n ASN 26 Ca 0.12 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.38 1egr n ASN 26 Cb 0.10 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1egr n ASN 26 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1egr n GLU 27 N -0.24 0.00 -4.32 1.20 2.13 0.61 -5.00 120.64 115.02 1egr n GLU 27 Ca 0.27 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.81 1egr n GLU 27 Cb 1.03 -0.48 -0.11 0.00 0.27 0.00 0.00 31.44 32.15 1egr n GLU 27 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1egr s ARG 28 N -2.00 1.81 0.14 5.31 0.52 -0.85 -5.03 118.95 118.85 1egr s ARG 28 Ca 0.00 -1.28 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 1egr s ARG 28 Cb 0.00 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.34 1egr s ARG 28 CO 0.00 0.45 1.34 0.38 0.02 0.00 0.00 175.30 177.49 1egr h ASP 29 N 3.36 0.57 -0.20 0.23 2.03 -1.90 -3.16 116.42 117.35 1egr h ASP 29 Ca -0.48 -0.42 -0.15 0.00 -0.73 0.00 0.00 57.03 55.25 1egr h ASP 29 Cb 1.19 -0.17 -0.06 0.00 -0.83 0.00 0.00 39.33 39.46 1egr h ASP 29 CO 0.49 1.20 0.11 -0.67 -1.03 0.00 0.00 179.24 179.34 1egr n ASP 30 N -3.79 5.75 -3.17 4.15 2.03 -1.26 -4.28 116.55 115.97 1egr n ASP 30 Ca -0.06 -2.66 -0.22 0.00 0.52 0.00 0.00 54.79 52.36 1egr n ASP 30 Cb 0.79 -1.15 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 1egr n ASP 30 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1egr n PHE 31 N 1.22 -0.90 -3.87 -0.67 7.35 -1.19 -0.37 117.46 119.03 1egr n PHE 31 Ca 0.17 -3.25 -0.37 0.00 -0.76 0.00 0.00 57.45 53.24 1egr n PHE 31 Cb 0.57 0.03 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 1egr n PHE 31 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1egr s GLN 32 N -0.66 3.57 0.21 -4.13 -0.21 -1.25 -3.98 119.66 113.20 1egr s GLN 32 Ca 0.34 -0.15 0.11 0.00 0.02 0.00 0.00 55.36 55.68 1egr s GLN 32 Cb 0.14 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1egr s GLN 32 CO -0.14 0.69 -0.19 1.52 -2.12 0.00 0.00 175.29 175.05 1egr s TYR 33 N -0.77 2.40 -0.09 0.91 1.13 -1.26 -0.25 117.35 119.42 1egr s TYR 33 Ca 0.14 -0.31 0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1egr s TYR 33 Cb -0.12 -1.15 0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1egr s TYR 33 CO 0.03 0.55 -0.22 -0.65 -2.51 0.00 0.00 175.55 172.76 1egr s GLN 34 N -2.93 2.77 -0.23 -3.49 1.11 0.48 -4.93 119.66 112.45 1egr s GLN 34 Ca 0.24 -0.79 0.02 0.00 0.01 0.00 0.00 55.36 54.84 1egr s GLN 34 Cb -0.07 -2.12 0.04 0.00 -1.01 0.00 0.00 33.01 29.84 1egr s GLN 34 CO 0.13 0.16 -0.14 -0.47 0.01 0.00 0.00 175.29 174.97 1egr s TYR 35 N 0.38 3.05 0.05 0.91 5.04 -1.26 -0.36 117.35 125.16 1egr s TYR 35 Ca -0.18 -1.97 0.07 0.00 -2.44 0.00 0.00 57.07 52.55 1egr s TYR 35 Cb -0.17 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.17 1egr s TYR 35 CO 0.08 -0.84 -0.19 0.54 -1.34 0.00 0.00 175.55 173.80 1egr s VAL 36 N 1.20 1.56 -0.07 3.14 0.11 -0.89 -5.00 120.40 120.44 1egr s VAL 36 Ca -0.02 -1.22 -0.10 0.00 -2.93 0.00 0.00 61.98 57.71 1egr s VAL 36 Cb -0.17 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.26 1egr s VAL 36 CO -0.08 0.12 0.24 -0.62 -3.33 0.00 0.00 175.10 171.42 1egr s ASP 37 N -1.29 6.54 0.55 3.54 -1.08 -1.26 -2.66 116.67 121.01 1egr s ASP 37 Ca 0.06 0.64 0.35 0.00 -0.52 0.00 0.00 52.55 53.08 1egr s ASP 37 Cb -0.09 -2.13 1.51 0.00 -1.46 0.00 0.00 42.92 40.74 1egr s ASP 37 CO 0.02 0.37 1.79 0.16 0.52 0.00 0.00 175.17 178.04 1egr h ILE 38 N 3.85 0.38 -0.51 4.11 3.07 -1.91 0.32 117.51 126.81 1egr h ILE 38 Ca -0.54 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 65.77 1egr h ILE 38 Cb 1.23 0.42 -0.06 0.00 -0.27 0.00 0.00 36.82 38.13 1egr h ILE 38 CO 0.59 0.00 0.13 -1.14 -1.05 0.00 0.00 178.15 176.68 1egr n ARG 39 N -4.06 3.39 -0.13 0.16 3.00 -1.26 -0.68 116.66 117.07 1egr n ARG 39 Ca 0.23 -2.31 -0.27 0.00 -0.00 0.00 0.00 57.85 55.50 1egr n ARG 39 Cb 1.18 -2.02 -0.09 0.00 0.00 0.00 0.00 32.46 31.53 1egr n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1egr n ALA 40 N 0.15 1.29 0.63 5.13 0.00 0.11 -4.58 120.51 123.25 1egr n ALA 40 Ca 0.27 -1.02 0.11 0.00 0.00 0.00 0.00 53.44 52.79 1egr n ALA 40 Cb 1.07 0.15 -0.01 0.00 0.00 0.00 0.00 19.45 20.66 1egr n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1egr n GLU 41 N -4.19 0.24 -0.42 0.00 1.02 -1.25 -4.97 120.64 111.06 1egr n GLU 41 Ca -0.49 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1egr n GLU 41 Cb 0.84 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 1.40 0.86 3.85 0.62 0.00 -1.20 -5.09 105.19 105.63 1egr n GLY 42 Ca 0.02 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.18 5.31 0.26 -0.61 1.01 0.14 -5.05 121.20 120.08 1egr s ILE 43 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.80 1egr s ILE 43 Cb 0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1egr s ILE 43 CO 0.00 0.55 -0.14 0.42 0.00 0.00 0.00 174.94 175.77 1egr s THR 44 N -1.07 2.06 0.17 2.92 -4.23 -1.26 -4.73 115.64 109.49 1egr s THR 44 Ca 0.17 -2.27 -0.27 0.00 -1.18 0.00 0.00 61.69 58.15 1egr s THR 44 Cb -0.12 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1egr s THR 44 CO 0.07 -0.42 1.56 0.50 -0.54 0.00 0.00 174.62 175.79 1egr h LYS 45 N 2.33 -0.19 -0.79 3.99 3.64 -1.99 0.12 116.57 123.69 1egr h LYS 45 Ca -0.40 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1egr h LYS 45 Cb 1.24 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 1egr h LYS 45 CO 0.63 -0.13 -0.14 0.93 -2.27 0.00 0.00 179.45 178.48 1egr h GLU 46 N -0.20 0.02 0.06 1.90 3.07 -1.98 0.44 114.58 117.90 1egr h GLU 46 Ca 0.18 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1egr h GLU 46 Cb 0.55 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1egr h GLU 46 CO -0.74 0.01 -0.03 0.22 -1.40 0.00 0.00 179.01 177.07 1egr h ASP 47 N 0.02 -0.07 -0.83 1.42 3.58 -1.21 -0.33 116.42 119.00 1egr h ASP 47 Ca 0.40 -0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.95 1egr h ASP 47 Cb 0.65 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.63 1egr h ASP 47 CO -0.79 -0.01 0.42 -0.07 -2.88 0.00 0.00 179.24 175.91 1egr h LEU 48 N -0.13 0.51 -0.33 2.28 3.38 0.32 0.59 115.31 121.92 1egr h LEU 48 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1egr h LEU 48 Cb 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1egr h LEU 48 CO 0.01 0.22 0.11 -0.61 0.09 0.00 0.00 178.44 178.26 1egr h GLN 49 N 0.61 0.24 0.03 1.13 -0.00 0.43 0.21 115.11 117.76 1egr h GLN 49 Ca 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.08 1egr h GLN 49 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.04 1egr h GLN 49 CO -0.35 0.16 -0.01 0.37 0.00 0.00 0.00 178.83 178.99 1egr h GLN 50 N 0.25 -0.04 -0.20 1.69 4.15 0.14 0.33 115.11 121.43 1egr h GLN 50 Ca 0.15 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.62 1egr h GLN 50 Cb 0.13 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1egr h GLN 50 CO -0.16 -0.02 -0.07 -0.22 -1.93 0.00 0.00 178.83 176.44 1egr h LYS 51 N -0.05 -0.02 -0.03 1.69 1.63 0.40 -3.22 116.57 116.97 1egr h LYS 51 Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1egr h LYS 51 Cb 0.04 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1egr h LYS 51 CO 0.01 -0.02 -0.22 0.00 -3.45 0.00 0.00 179.45 175.77 1egr h ALA 52 N 1.17 0.06 -0.64 5.00 0.00 -0.51 -3.47 119.26 120.87 1egr h ALA 52 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1egr h ALA 52 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1egr h ALA 52 CO -0.22 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1egr n GLY 53 N 0.83 0.84 2.25 0.00 0.00 0.11 -4.86 105.19 104.36 1egr n GLY 53 Ca -0.09 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.32 0.80 0.00 1.61 4.76 -1.21 -5.08 118.16 118.72 1egr n LYS 54 Ca 0.00 -2.31 0.00 0.00 -2.87 0.00 0.00 58.31 53.13 1egr n LYS 54 Cb 0.25 1.12 0.00 0.00 -1.84 0.00 0.00 35.03 34.56 1egr n LYS 54 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1egr n PRO 55 N -0.65 2.13 -3.32 1.97 -0.02 -1.26 -4.86 135.00 128.99 1egr n PRO 55 Ca -0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.10 1egr n PRO 55 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.83 1egr n PRO 55 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1egr n VAL 56 N -0.43 3.21 -0.86 -1.45 0.24 -1.26 -4.73 118.33 113.07 1egr n VAL 56 Ca 0.00 -5.42 -0.18 0.00 -2.04 0.00 0.00 64.34 56.70 1egr n VAL 56 Cb 0.00 -2.10 -0.08 0.00 -1.47 0.00 0.00 33.84 30.19 1egr n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1egr n GLU 57 N 1.03 2.08 0.00 7.34 4.71 -1.26 -4.92 120.64 129.62 1egr n GLU 57 Ca 0.28 -1.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.22 1egr n GLU 57 Cb 0.39 -2.20 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1egr n THR 58 N 3.21 0.00 -4.12 2.62 -2.24 -1.26 -4.74 114.28 107.75 1egr n THR 58 Ca 0.44 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1egr n THR 58 Cb 0.46 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.00 0.55 2.28 -7.23 -1.26 -4.88 120.40 109.85 1egr s VAL 59 Ca 0.00 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1egr s VAL 59 Cb 0.00 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.58 1egr s VAL 59 CO 0.00 0.00 0.76 -2.16 -0.31 0.00 0.00 175.10 173.39 1egr s PRO 60 N -3.94 2.41 0.09 4.82 0.04 -1.26 -5.04 135.00 132.13 1egr s PRO 60 Ca 0.32 -1.17 0.07 0.00 0.04 0.00 0.00 61.00 60.26 1egr s PRO 60 Cb 0.03 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1egr s PRO 60 CO 0.13 -0.75 -0.17 -0.65 0.04 0.00 0.00 177.00 175.59 1egr s GLN 61 N -4.69 0.99 0.09 4.56 -0.21 -0.82 -4.37 119.66 115.21 1egr s GLN 61 Ca 0.59 -1.09 0.09 0.00 0.02 0.00 0.00 55.36 54.97 1egr s GLN 61 Cb -0.08 -1.12 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 1egr s GLN 61 CO 0.38 0.25 -0.23 0.42 -2.12 0.00 0.00 175.29 173.99 1egr s ILE 62 N -1.30 1.88 0.23 1.08 1.01 0.67 -1.53 121.20 123.24 1egr s ILE 62 Ca 0.03 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.23 1egr s ILE 62 Cb -0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1egr s ILE 62 CO 0.03 0.09 -0.01 -0.36 0.00 0.00 0.00 174.94 174.70 1egr s PHE 63 N -1.00 1.56 -0.17 3.97 0.40 0.88 -2.10 117.98 121.51 1egr s PHE 63 Ca 0.09 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.48 1egr s PHE 63 Cb -0.10 -0.90 0.05 0.00 0.51 0.00 0.00 43.02 42.59 1egr s PHE 63 CO 0.04 -0.03 0.03 0.08 0.70 0.00 0.00 175.22 176.03 1egr s VAL 64 N -3.41 0.49 0.00 -0.44 1.01 0.21 -0.63 120.40 117.63 1egr s VAL 64 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1egr s VAL 64 Cb 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1egr s VAL 64 CO 0.08 -0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.41 1egr n ASP 65 N 5.07 0.00 -0.79 3.32 -0.08 0.26 0.02 116.55 124.36 1egr n ASP 65 Ca -0.09 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.21 1egr n ASP 65 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.95 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1egr n GLN 66 N 0.00 0.06 -4.34 -0.67 6.02 -1.26 -4.98 117.38 112.20 1egr n GLN 66 Ca 0.00 -1.38 -0.23 0.00 -0.01 0.00 0.00 57.00 55.37 1egr n GLN 66 Cb 0.00 -0.39 -0.12 0.00 1.02 0.00 0.00 30.24 30.75 1egr n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1egr s GLN 67 N -0.13 1.30 -0.08 -1.09 0.74 0.10 -5.15 119.66 115.35 1egr s GLN 67 Ca 0.12 -1.38 -0.01 0.00 0.05 0.00 0.00 55.36 54.14 1egr s GLN 67 Cb 0.13 -1.45 -0.03 0.00 1.10 0.00 0.00 33.01 32.76 1egr s GLN 67 CO -0.05 0.31 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.38 1egr s HIS 68 N -1.79 3.05 -0.22 1.67 5.65 -1.26 -0.62 115.29 121.77 1egr s HIS 68 Ca 0.15 0.10 -0.06 0.00 0.25 0.00 0.00 55.06 55.50 1egr s HIS 68 Cb -0.07 -1.76 -0.11 0.00 -1.18 0.00 0.00 32.58 29.46 1egr s HIS 68 CO 0.07 0.39 -0.25 -0.89 -0.65 0.00 0.00 174.74 173.41 1egr n ILE 69 N 2.21 1.23 0.00 0.89 2.08 -0.89 -4.92 119.36 119.96 1egr n ILE 69 Ca -0.18 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1egr n ILE 69 Cb 0.53 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.84 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 1.95 0.62 1.83 7.39 0.00 -1.16 -4.84 105.19 110.98 1egr n GLY 70 Ca -0.42 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 3.12 0.45 -0.02 0.00 -1.26 -0.24 105.19 107.24 1egr n GLY 71 Ca 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 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 0.70 -1.61 -0.82 1.61 3.20 -1.87 -0.20 116.97 117.99 1egr h TYR 72 Ca -0.18 0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.84 1egr h TYR 72 Cb 0.62 0.74 -0.10 0.00 1.54 0.00 0.00 36.73 39.53 1egr h TYR 72 CO 0.00 -0.51 -0.48 0.25 -1.64 0.00 0.00 178.16 175.79 1egr n THR 73 N -5.32 -0.55 0.12 1.81 -2.24 -1.26 -0.39 114.28 106.45 1egr n THR 73 Ca -0.05 1.97 -0.13 0.00 -2.27 0.00 0.00 64.05 63.57 1egr n THR 73 Cb 0.35 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.07 1egr n THR 73 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1egr h ASP 74 N 0.00 -0.22 -0.62 3.42 3.32 -1.85 -1.91 116.42 118.55 1egr h ASP 74 Ca 0.14 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.32 1egr h ASP 74 Cb 0.34 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.83 1egr h ASP 74 CO -0.77 -0.15 -0.18 0.15 -1.72 0.00 0.00 179.24 176.57 1egr h PHE 75 N -0.24 -0.41 0.30 4.55 3.57 0.11 0.51 116.94 125.33 1egr h PHE 75 Ca -0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1egr h PHE 75 Cb 0.19 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1egr h PHE 75 CO -0.08 -0.29 -0.38 0.00 -2.23 0.00 0.00 178.31 175.33 1egr h ALA 76 N 1.54 -0.78 -0.13 2.41 0.00 -0.39 0.95 119.26 122.86 1egr h ALA 76 Ca 0.29 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1egr h ALA 76 Cb 0.48 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1egr h ALA 76 CO -0.65 -0.98 -0.27 0.00 0.00 0.00 0.00 179.25 177.34 1egr h ALA 77 N -0.28 -0.28 -0.41 0.00 0.00 -0.38 -2.07 119.26 115.83 1egr h ALA 77 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1egr h ALA 77 Cb 0.68 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1egr h ALA 77 CO -0.12 -0.74 -0.13 2.35 0.00 0.00 0.00 179.25 180.61 1egr h TRP 78 N -0.35 -0.31 -0.50 0.00 7.01 0.28 -1.95 115.95 120.13 1egr h TRP 78 Ca 0.10 0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.24 1egr h TRP 78 Cb 0.50 0.20 -0.10 0.00 -2.10 0.00 0.00 29.16 27.66 1egr h TRP 78 CO -0.37 -0.21 -0.16 0.28 -2.79 0.00 0.00 178.44 175.19 1egr h VAL 79 N -0.04 0.44 -1.14 2.65 2.07 -0.17 -0.47 116.25 119.59 1egr h VAL 79 Ca 0.20 0.00 0.43 0.00 0.82 0.00 0.00 66.70 68.15 1egr h VAL 79 Cb 0.35 0.44 -0.16 0.00 -1.52 0.00 0.00 31.29 30.40 1egr h VAL 79 CO -0.44 0.00 0.67 0.50 0.02 0.00 0.00 177.57 178.32 1egr h LYS 80 N -0.04 0.02 0.00 1.57 1.63 -0.73 -0.73 116.57 118.30 1egr h LYS 80 Ca 0.24 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1egr h LYS 80 Cb 0.41 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1egr h LYS 80 CO -0.54 0.02 -1.13 0.39 -3.45 0.00 0.00 179.45 174.74 1egr n GLU 81 N -5.05 2.15 0.10 1.90 4.71 -0.98 -1.07 120.64 122.40 1egr n GLU 81 Ca 0.38 -0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.66 1egr n GLU 81 Cb 1.37 -1.06 0.43 0.00 -1.01 0.00 0.00 31.44 31.18 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1egr n ASN 82 N -1.87 0.74 -0.04 1.62 3.02 -0.22 -2.37 115.26 116.14 1egr n ASN 82 Ca -0.02 0.57 0.03 0.00 -0.03 0.00 0.00 54.58 55.13 1egr n ASN 82 Cb 0.36 -0.77 0.04 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.20 1.93 -2.54 3.41 4.77 -0.30 -5.02 117.00 117.04 1egr n LEU 83 Ca 0.06 -2.18 -0.24 0.00 -0.03 0.00 0.00 56.01 53.61 1egr n LEU 83 Cb 0.41 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1egr n LEU 83 CO 0.29 0.53 -0.17 -0.90 -1.33 0.00 0.00 177.39 175.81 1egr n ASP 84 N -0.74 -3.35 0.00 -1.43 5.68 -1.00 -4.97 116.55 110.74 1egr n ASP 84 Ca 0.05 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1egr n ASP 84 Cb 0.40 -0.98 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87