#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 2.41 0.12 2.12 -0.21 -1.26 -0.75 119.66 122.10 1egr s GLN 2 Ca 0.00 -1.27 -0.04 0.00 0.02 0.00 0.00 55.36 54.08 1egr s GLN 2 Cb 0.00 -3.11 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 1egr s GLN 2 CO 0.00 -0.60 0.34 0.99 -2.12 0.00 0.00 175.29 173.90 1egr s THR 3 N 1.23 5.21 -0.01 -0.19 2.01 -0.07 0.24 115.64 124.07 1egr s THR 3 Ca -0.06 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1egr s THR 3 Cb -0.20 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 1egr s THR 3 CO -0.02 0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 1egr s VAL 4 N -1.63 0.64 -0.16 3.82 1.01 0.31 -0.35 120.40 124.04 1egr s VAL 4 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1egr s VAL 4 Cb -0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1egr s VAL 4 CO 0.25 0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.80 1egr s ILE 5 N -0.13 3.10 -0.35 2.22 1.09 -0.89 -0.77 121.20 125.46 1egr s ILE 5 Ca 0.02 -0.62 -0.07 0.00 -1.10 0.00 0.00 60.65 58.88 1egr s ILE 5 Cb -0.04 -2.34 0.04 0.00 -1.06 0.00 0.00 42.46 39.07 1egr s ILE 5 CO -0.00 0.50 0.13 -0.36 -0.10 0.00 0.00 174.94 175.11 1egr s PHE 6 N 0.73 3.27 0.00 3.97 0.40 0.10 0.01 117.98 126.46 1egr s PHE 6 Ca -0.05 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 1egr s PHE 6 Cb -0.15 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1egr s PHE 6 CO 0.02 -0.74 0.00 0.41 0.70 0.00 0.00 175.22 175.61 1egr n GLY 7 N 4.84 4.21 2.79 4.36 0.00 -0.38 -0.82 105.19 120.18 1egr n GLY 7 Ca -0.12 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1egr n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1egr n ARG 8 N 0.00 4.84 0.00 1.61 0.00 -1.26 -0.50 116.66 121.35 1egr n ARG 8 Ca 0.00 -4.64 0.00 0.00 -0.00 0.00 0.00 57.85 53.21 1egr n ARG 8 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.00 1egr n ARG 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1egr n SER 9 N 0.49 0.00 -3.84 6.15 7.64 -1.26 -3.88 113.62 118.91 1egr n SER 9 Ca 0.37 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.97 1egr n SER 9 Cb 0.30 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.38 1egr n SER 9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1egr s GLY 10 N 0.00 2.48 -0.22 0.23 0.00 -1.26 -4.96 107.32 103.59 1egr s GLY 10 Ca 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 44.72 41.32 1egr s GLY 10 CO 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 173.10 174.30 1egr h PRO 12 N 8.06 0.00 -0.16 0.00 0.13 -1.96 0.31 132.00 138.37 1egr h PRO 12 Ca -0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.77 1egr h PRO 12 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1egr h PRO 12 CO 0.38 0.00 -0.67 1.88 -0.23 0.00 0.00 178.00 179.37 1egr h TYR 13 N 0.00 0.81 -0.94 1.56 0.05 -1.99 -2.81 116.97 113.65 1egr h TYR 13 Ca 0.70 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1egr h TYR 13 Cb 3.29 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 40.84 1egr h TYR 13 CO 0.00 1.11 0.56 0.00 -1.05 0.00 0.00 178.16 178.78 1egr h VAL 15 N 1.30 0.71 0.02 0.00 2.07 -1.60 0.60 116.25 119.34 1egr h VAL 15 Ca 0.34 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1egr h VAL 15 Cb -0.04 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 1egr h VAL 15 CO -0.06 0.12 -0.01 0.03 0.02 0.00 0.00 177.57 177.67 1egr h ARG 16 N 0.68 -0.02 -0.83 1.57 2.47 -0.66 0.50 114.38 118.09 1egr h ARG 16 Ca 0.54 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 59.41 1egr h ARG 16 Cb 0.96 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.19 1egr h ARG 16 CO -0.31 0.74 0.42 0.00 0.56 0.00 0.00 179.97 181.38 1egr h ALA 17 N 0.04 1.24 0.65 0.04 0.00 -0.27 0.40 119.26 121.36 1egr h ALA 17 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1egr h ALA 17 Cb 0.77 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1egr h ALA 17 CO 0.00 -0.09 -0.40 -0.22 0.00 0.00 0.00 179.25 178.54 1egr h LYS 18 N 0.61 -0.95 0.01 0.00 3.11 0.19 0.17 116.57 119.70 1egr h LYS 18 Ca 0.45 0.06 0.03 0.00 -2.81 0.00 0.00 60.65 58.39 1egr h LYS 18 Cb 0.63 0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 32.02 1egr h LYS 18 CO -0.36 -0.63 -0.42 0.22 -2.81 0.00 0.00 179.45 175.45 1egr h ASP 19 N -0.99 -1.26 -0.62 4.20 3.58 0.48 0.35 116.42 122.16 1egr h ASP 19 Ca -0.08 0.15 0.12 0.00 0.42 0.00 0.00 57.03 57.64 1egr h ASP 19 Cb 0.80 0.49 -0.12 0.00 1.72 0.00 0.00 39.33 42.22 1egr h ASP 19 CO 0.09 -0.46 -0.19 0.25 -2.88 0.00 0.00 179.24 176.05 1egr h LEU 20 N -0.58 -0.68 -0.46 2.28 5.85 -0.10 0.66 115.31 122.28 1egr h LEU 20 Ca 0.05 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1egr h LEU 20 Cb 0.65 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1egr h LEU 20 CO -0.31 -0.23 0.30 0.00 -0.34 0.00 0.00 178.44 177.86 1egr h ALA 21 N 1.51 0.58 -0.01 1.25 0.00 0.17 0.14 119.26 122.90 1egr h ALA 21 Ca 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1egr h ALA 21 Cb 0.48 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1egr h ALA 21 CO -0.65 0.04 0.00 1.49 0.00 0.00 0.00 179.25 180.13 1egr h GLU 22 N 0.62 0.02 0.01 0.00 4.81 0.22 0.19 114.58 120.46 1egr h GLU 22 Ca 0.17 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1egr h GLU 22 Cb -0.06 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1egr h GLU 22 CO -0.04 0.27 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.17 1egr h LYS 23 N -0.23 -0.21 -0.32 1.92 3.11 0.34 -0.63 116.57 120.57 1egr h LYS 23 Ca 0.00 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.93 1egr h LYS 23 Cb 0.26 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.46 1egr h LYS 23 CO 0.00 -0.14 -0.16 -0.07 -2.81 0.00 0.00 179.45 176.27 1egr h LEU 24 N -0.21 -0.53 -1.18 5.20 3.38 -0.60 0.60 115.31 121.96 1egr h LEU 24 Ca 0.04 0.12 0.22 0.00 0.09 0.00 0.00 57.88 58.36 1egr h LEU 24 Cb 0.27 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1egr h LEU 24 CO -0.12 -0.19 1.00 -1.28 0.09 0.00 0.00 178.44 177.94 1egr h SER 25 N -0.11 0.00 0.00 -0.43 0.87 0.92 0.42 113.55 115.22 1egr h SER 25 Ca 0.16 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.34 1egr h SER 25 Cb 0.36 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 1egr h SER 25 CO -0.39 0.00 -2.47 -3.20 -0.53 0.00 0.00 176.83 170.24 1egr n ASN 26 N -3.25 1.89 0.17 6.23 4.05 0.18 -4.43 115.26 120.11 1egr n ASN 26 Ca 0.16 -0.13 0.04 0.00 0.45 0.00 0.00 54.58 55.10 1egr n ASN 26 Cb 1.24 -0.34 0.28 0.00 1.23 0.00 0.00 39.78 42.19 1egr n ASN 26 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1egr h GLU 27 N 0.00 0.00 -6.48 1.20 5.08 0.13 -3.45 114.58 111.06 1egr h GLU 27 Ca -0.58 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.31 1egr h GLU 27 Cb 1.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.18 1egr h GLU 27 CO -0.08 0.44 -0.19 1.03 -1.00 0.00 0.00 179.01 179.20 1egr s ARG 28 N -3.54 2.49 -0.16 2.33 1.81 0.13 -5.07 118.95 116.94 1egr s ARG 28 Ca 0.00 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.48 1egr s ARG 28 Cb 0.11 -2.61 -0.10 0.00 -0.45 0.00 0.00 34.95 31.89 1egr s ARG 28 CO 0.71 -0.59 -0.15 -0.40 -0.68 0.00 0.00 175.30 174.18 1egr n ASP 29 N -2.02 2.59 -2.91 0.23 5.75 -1.26 -4.66 116.55 114.27 1egr n ASP 29 Ca 0.11 -0.05 -0.34 0.00 -0.01 0.00 0.00 54.79 54.49 1egr n ASP 29 Cb 0.61 -0.28 0.01 0.00 -1.03 0.00 0.00 41.12 40.43 1egr n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1egr n ASP 30 N -3.05 6.11 -3.80 -1.12 2.03 -1.26 -4.94 116.55 110.52 1egr n ASP 30 Ca -0.29 -3.75 -0.28 0.00 0.52 0.00 0.00 54.79 50.99 1egr n ASP 30 Cb 0.79 -0.81 -0.16 0.00 -0.72 0.00 0.00 41.12 40.22 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1egr s PHE 31 N -3.86 1.45 0.14 -0.67 2.19 -1.26 0.12 117.98 116.09 1egr s PHE 31 Ca 0.48 -1.12 0.09 0.00 0.33 0.00 0.00 56.93 56.71 1egr s PHE 31 Cb 0.36 -1.20 -0.04 0.00 -1.31 0.00 0.00 43.02 40.83 1egr s PHE 31 CO -0.25 -0.65 -0.21 -0.65 1.83 0.00 0.00 175.22 175.29 1egr s GLN 32 N 1.71 1.23 0.03 10.12 -0.21 0.07 -4.09 119.66 128.53 1egr s GLN 32 Ca -0.02 -1.30 -0.01 0.00 0.02 0.00 0.00 55.36 54.05 1egr s GLN 32 Cb -0.17 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.37 1egr s GLN 32 CO -0.07 0.32 -0.01 1.52 -2.12 0.00 0.00 175.29 174.92 1egr s TYR 33 N -1.54 0.36 0.11 0.91 1.13 -1.26 -0.89 117.35 116.17 1egr s TYR 33 Ca 0.12 -0.74 0.05 0.00 -1.41 0.00 0.00 57.07 55.09 1egr s TYR 33 Cb -0.08 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 1egr s TYR 33 CO 0.06 -0.29 -0.13 1.14 -2.51 0.00 0.00 175.55 173.82 1egr s GLN 34 N -2.58 0.96 -0.05 -3.49 0.00 0.53 -4.92 119.66 110.12 1egr s GLN 34 Ca -0.05 -1.21 0.04 0.00 -0.00 0.00 0.00 55.36 54.14 1egr s GLN 34 Cb -0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 33.01 32.18 1egr s GLN 34 CO -0.05 0.15 -0.15 -0.47 0.00 0.00 0.00 175.29 174.76 1egr s TYR 35 N -2.20 2.68 -0.02 9.60 5.04 -1.26 -2.10 117.35 129.07 1egr s TYR 35 Ca 0.08 -0.19 0.06 0.00 -2.44 0.00 0.00 57.07 54.58 1egr s TYR 35 Cb -0.04 -1.62 -0.01 0.00 0.35 0.00 0.00 41.96 40.63 1egr s TYR 35 CO 0.02 0.16 -0.21 0.08 -1.34 0.00 0.00 175.55 174.26 1egr s VAL 36 N -0.69 1.71 -0.29 3.14 1.01 0.10 -4.90 120.40 120.47 1egr s VAL 36 Ca 0.11 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1egr s VAL 36 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1egr s VAL 36 CO 0.01 0.48 0.11 -0.62 0.00 0.00 0.00 175.10 175.08 1egr s ASP 37 N -0.41 5.31 0.67 3.32 2.15 -1.26 -1.25 116.67 125.19 1egr s ASP 37 Ca 0.06 -0.48 0.33 0.00 0.43 0.00 0.00 52.55 52.89 1egr s ASP 37 Cb -0.09 -1.95 1.82 0.00 -0.30 0.00 0.00 42.92 42.41 1egr s ASP 37 CO -0.00 -0.15 2.03 0.16 -0.17 0.00 0.00 175.17 177.04 1egr h ILE 38 N 5.68 0.00 0.00 4.11 3.07 -1.09 -2.50 117.51 126.78 1egr h ILE 38 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1egr h ILE 38 Cb 1.15 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 1egr h ILE 38 CO 0.60 0.00 -0.26 -0.09 -1.05 0.00 0.00 178.15 177.35 1egr h ARG 39 N 0.00 0.00 -0.76 0.16 2.43 -1.84 0.32 114.38 114.69 1egr h ARG 39 Ca 0.00 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.43 1egr h ARG 39 Cb 0.51 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.92 1egr h ARG 39 CO -0.00 0.00 0.20 0.00 -1.51 0.00 0.00 179.97 178.66 1egr n ALA 40 N -3.13 0.57 -0.08 2.80 0.00 -0.96 -1.24 120.51 118.47 1egr n ALA 40 Ca -0.04 0.80 -0.23 0.00 0.00 0.00 0.00 53.44 53.97 1egr n ALA 40 Cb 0.14 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 -4.90 0.65 0.00 0.00 1.02 -1.08 -5.04 120.64 111.29 1egr n GLU 41 Ca 0.23 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1egr n GLU 41 Cb 0.77 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.75 0.69 3.45 0.62 0.00 -0.38 -5.11 105.19 106.21 1egr n GLY 42 Ca -0.39 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.89 3.74 0.36 -0.61 1.01 0.10 -5.02 121.20 119.89 1egr s ILE 43 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.34 1egr s ILE 43 Cb 0.00 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.75 1egr s ILE 43 CO 0.00 0.48 -0.07 0.42 0.00 0.00 0.00 174.94 175.77 1egr s THR 44 N 0.62 2.19 0.30 2.92 -4.23 -1.26 -4.70 115.64 111.48 1egr s THR 44 Ca -0.03 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.36 1egr s THR 44 Cb -0.14 -2.74 0.38 0.00 1.34 0.00 0.00 72.50 71.34 1egr s THR 44 CO 0.02 -0.15 1.59 0.11 -0.54 0.00 0.00 174.62 175.65 1egr h LYS 45 N 1.95 0.05 0.52 3.99 6.56 -1.89 0.40 116.57 128.14 1egr h LYS 45 Ca -0.43 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.14 1egr h LYS 45 Cb 1.25 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1egr h LYS 45 CO 0.73 0.03 -0.25 0.93 -2.06 0.00 0.00 179.45 178.83 1egr h GLU 46 N 0.05 -0.67 -0.98 3.15 3.07 -1.95 0.28 114.58 117.53 1egr h GLU 46 Ca 0.59 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1egr h GLU 46 Cb 1.23 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.25 1egr h GLU 46 CO -0.85 -0.44 0.63 0.22 -1.40 0.00 0.00 179.01 177.17 1egr h ASP 47 N -0.73 1.14 -0.11 1.42 3.58 -1.11 -2.30 116.42 118.31 1egr h ASP 47 Ca -0.07 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.33 1egr h ASP 47 Cb 0.55 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1egr h ASP 47 CO 0.12 0.84 0.06 -0.07 -2.88 0.00 0.00 179.24 177.31 1egr h LEU 48 N 1.33 0.14 -0.52 2.28 3.38 -0.17 -2.90 115.31 118.86 1egr h LEU 48 Ca 0.35 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1egr h LEU 48 Cb -0.12 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 1egr h LEU 48 CO -0.07 0.21 -0.56 -0.61 0.09 0.00 0.00 178.44 177.49 1egr h GLN 49 N 0.07 -0.31 -0.98 1.13 -0.00 0.12 0.94 115.11 116.08 1egr h GLN 49 Ca 0.04 0.02 0.27 0.00 -0.00 0.00 0.00 58.65 58.98 1egr h GLN 49 Cb 0.10 0.07 -0.14 0.00 0.00 0.00 0.00 27.48 27.52 1egr h GLN 49 CO -0.01 -0.21 0.52 0.37 0.00 0.00 0.00 178.83 179.51 1egr h GLN 50 N -0.32 0.40 -0.01 1.69 5.75 -1.40 0.33 115.11 121.54 1egr h GLN 50 Ca 0.09 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1egr h GLN 50 Cb 0.56 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1egr h GLN 50 CO -0.66 0.27 -0.31 1.63 -2.65 0.00 0.00 178.83 177.11 1egr n LYS 51 N -5.01 1.13 -0.04 1.69 5.02 0.52 -4.42 118.16 117.05 1egr n LYS 51 Ca 0.28 -0.80 -0.05 0.00 -2.02 0.00 0.00 58.31 55.71 1egr n LYS 51 Cb 0.82 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.23 1.82 -3.84 7.82 0.00 0.30 -4.77 120.51 121.61 1egr n ALA 52 Ca 0.12 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 1egr n ALA 52 Cb 0.41 0.27 0.03 0.00 0.00 0.00 0.00 19.45 20.16 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 3.01 -0.41 3.33 0.00 0.00 0.90 -4.77 105.19 107.24 1egr n GLY 53 Ca -0.14 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.39 1.83 -0.18 1.61 1.02 -1.26 -5.01 119.74 111.36 1egr s LYS 54 Ca 0.40 -2.08 -0.02 0.00 0.02 0.00 0.00 55.97 54.30 1egr s LYS 54 Cb -0.20 0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 37.24 1egr s LYS 54 CO 0.82 -0.65 0.88 -2.30 -0.92 0.00 0.00 175.35 173.18 1egr n PRO 55 N -0.70 0.00 -0.12 -1.68 -0.02 -1.26 -4.72 135.00 126.50 1egr n PRO 55 Ca 0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1egr n PRO 55 Cb 0.62 -0.67 -0.10 0.00 -0.02 0.00 0.00 33.50 33.33 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 3.21 1.38 0.00 -1.45 0.24 -1.26 -4.78 118.33 115.66 1egr n VAL 56 Ca 0.12 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1egr n VAL 56 Cb 0.27 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 1egr n VAL 56 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1egr n GLU 57 N -3.48 0.00 0.00 7.34 2.13 -1.26 -4.49 120.64 120.88 1egr n GLU 57 Ca -0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.37 1egr n GLU 57 Cb 0.92 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.63 1egr n GLU 57 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1egr n THR 58 N 0.00 0.00 -4.18 6.31 -2.24 -1.26 -4.82 114.28 108.09 1egr n THR 58 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1egr n THR 58 Cb 0.00 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.33 0.13 2.28 -7.23 -1.26 -4.58 120.40 110.07 1egr s VAL 59 Ca 0.00 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1egr s VAL 59 Cb 0.00 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 1egr s VAL 59 CO 0.00 -0.50 0.41 -2.16 -0.31 0.00 0.00 175.10 172.54 1egr s PRO 60 N -3.99 3.70 -0.02 4.82 0.04 -1.26 -5.04 135.00 133.25 1egr s PRO 60 Ca 0.23 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1egr s PRO 60 Cb 0.07 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1egr s PRO 60 CO 0.02 0.48 -0.08 -0.65 0.04 0.00 0.00 177.00 176.81 1egr s GLN 61 N -2.39 2.58 -0.02 4.56 -0.21 -0.00 -4.00 119.66 120.18 1egr s GLN 61 Ca 0.39 -0.68 0.04 0.00 0.02 0.00 0.00 55.36 55.13 1egr s GLN 61 Cb -0.13 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 1egr s GLN 61 CO 0.21 0.62 -0.13 0.42 -2.12 0.00 0.00 175.29 174.30 1egr s ILE 62 N -0.92 3.21 -0.05 1.08 1.09 0.55 0.00 121.20 126.16 1egr s ILE 62 Ca 0.15 -0.82 0.06 0.00 -1.10 0.00 0.00 60.65 58.94 1egr s ILE 62 Cb -0.11 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.96 1egr s ILE 62 CO 0.05 0.48 -0.24 -0.36 -0.10 0.00 0.00 174.94 174.78 1egr s PHE 63 N -0.85 2.27 -0.33 3.97 0.40 0.05 -0.95 117.98 122.54 1egr s PHE 63 Ca 0.14 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1egr s PHE 63 Cb -0.11 -1.49 0.07 0.00 0.51 0.00 0.00 43.02 42.01 1egr s PHE 63 CO 0.04 -0.17 0.06 0.08 0.70 0.00 0.00 175.22 175.92 1egr s VAL 64 N -0.22 2.96 0.00 -0.44 1.01 0.83 -0.53 120.40 124.02 1egr s VAL 64 Ca -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1egr s VAL 64 Cb -0.12 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1egr s VAL 64 CO 0.02 -0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.14 1egr n ASP 65 N 4.57 0.00 0.00 3.32 2.03 0.14 -1.78 116.55 124.82 1egr n ASP 65 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1egr n ASP 65 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1egr n GLN 66 N 0.00 1.54 -4.39 -0.67 1.13 -1.26 -4.76 117.38 108.97 1egr n GLN 66 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1egr n GLN 66 Cb 0.00 -0.13 -0.09 0.00 0.11 0.00 0.00 30.24 30.13 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1egr s GLN 67 N -0.18 1.97 -0.04 -1.09 -1.52 -0.73 -5.11 119.66 112.95 1egr s GLN 67 Ca 0.00 -1.68 -0.19 0.00 -1.95 0.00 0.00 55.36 51.54 1egr s GLN 67 Cb 0.00 -1.92 -0.05 0.00 -0.22 0.00 0.00 33.01 30.82 1egr s GLN 67 CO 0.00 0.28 0.55 -1.58 -0.25 0.00 0.00 175.29 174.28 1egr s HIS 68 N -2.47 3.63 -0.24 0.91 5.65 -1.26 -0.12 115.29 121.40 1egr s HIS 68 Ca 0.32 1.09 0.02 0.00 0.25 0.00 0.00 55.06 56.74 1egr s HIS 68 Cb -0.04 -2.57 -0.16 0.00 -1.18 0.00 0.00 32.58 28.64 1egr s HIS 68 CO 0.18 0.31 -0.21 -0.89 -0.65 0.00 0.00 174.74 173.48 1egr n ILE 69 N 2.99 1.37 0.00 0.89 2.08 -0.12 -4.92 119.36 121.65 1egr n ILE 69 Ca -0.07 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1egr n ILE 69 Cb 0.51 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.06 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 2.35 0.41 3.96 7.39 0.00 -1.21 -4.77 105.19 113.32 1egr n GLY 70 Ca -0.42 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 1egr n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1egr s GLY 71 N 0.00 1.76 0.29 -0.02 0.00 -1.26 -0.33 107.32 107.76 1egr s GLY 71 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1egr s GLY 71 CO 0.00 -0.85 1.60 -1.82 0.00 0.00 0.00 173.10 172.03 1egr h TYR 72 N -0.54 0.09 -0.41 1.90 3.20 -1.92 0.71 116.97 119.98 1egr h TYR 72 Ca -0.41 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.58 1egr h TYR 72 Cb 1.29 0.11 -0.09 0.00 1.54 0.00 0.00 36.73 39.58 1egr h TYR 72 CO -0.02 -0.34 -0.49 1.79 -1.64 0.00 0.00 178.16 177.47 1egr h THR 73 N 0.08 0.06 -1.00 1.81 1.35 -1.95 0.18 112.91 113.45 1egr h THR 73 Ca 0.56 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.47 1egr h THR 73 Cb 1.14 0.06 -0.06 0.00 -1.73 0.00 0.00 68.15 67.56 1egr h THR 73 CO -0.80 0.00 0.65 0.44 -0.25 0.00 0.00 175.52 175.56 1egr h ASP 74 N -0.36 1.07 0.58 5.36 5.19 -1.25 -0.85 116.42 126.16 1egr h ASP 74 Ca 0.11 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1egr h ASP 74 Cb 0.59 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 1egr h ASP 74 CO -0.59 0.71 -0.34 0.15 -3.12 0.00 0.00 179.24 176.05 1egr h PHE 75 N 1.23 -0.91 0.07 4.55 3.57 0.48 0.61 116.94 126.54 1egr h PHE 75 Ca 0.41 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1egr h PHE 75 Cb 0.06 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1egr h PHE 75 CO -0.00 -0.53 -0.35 0.00 -2.23 0.00 0.00 178.31 175.20 1egr h ALA 76 N -0.51 -0.57 0.14 2.41 0.00 -0.22 0.84 119.26 121.35 1egr h ALA 76 Ca -0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1egr h ALA 76 Cb 0.70 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1egr h ALA 76 CO 0.08 -0.89 -0.26 0.00 0.00 0.00 0.00 179.25 178.18 1egr h ALA 77 N 0.09 -0.46 -0.47 0.00 0.00 -1.10 -1.97 119.26 115.35 1egr h ALA 77 Ca 0.04 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1egr h ALA 77 Cb 0.60 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 1egr h ALA 77 CO -0.24 -0.80 -0.38 2.35 0.00 0.00 0.00 179.25 180.18 1egr h TRP 78 N -0.48 -1.09 -0.38 0.00 7.01 0.72 -1.52 115.95 120.21 1egr h TRP 78 Ca 0.02 0.07 0.07 0.00 2.11 0.00 0.00 58.89 61.17 1egr h TRP 78 Cb 0.50 0.54 -0.09 0.00 -2.10 0.00 0.00 29.16 28.01 1egr h TRP 78 CO -0.23 -0.41 -0.37 0.28 -2.79 0.00 0.00 178.44 174.92 1egr h VAL 79 N -0.25 0.18 -0.87 2.65 2.07 -0.43 -2.30 116.25 117.29 1egr h VAL 79 Ca 0.18 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.92 1egr h VAL 79 Cb 0.56 0.18 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 1egr h VAL 79 CO -0.61 0.00 0.04 0.50 0.02 0.00 0.00 177.57 177.52 1egr h LYS 80 N -0.30 0.08 -0.87 1.57 3.11 -0.52 0.19 116.57 119.83 1egr h LYS 80 Ca 0.15 -0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.47 1egr h LYS 80 Cb 0.56 -0.02 -0.28 0.00 -1.00 0.00 0.00 32.23 31.50 1egr h LYS 80 CO -0.54 0.05 0.48 0.39 -2.81 0.00 0.00 179.45 177.02 1egr n GLU 81 N -5.39 2.45 0.00 1.90 4.71 -0.89 -3.97 120.64 119.45 1egr n GLU 81 Ca 0.18 -3.24 0.00 0.00 -0.01 0.00 0.00 57.16 54.09 1egr n GLU 81 Cb 0.61 -2.17 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 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 -1.03 0.00 -2.45 1.62 3.02 0.06 -4.89 115.26 111.60 1egr n ASN 82 Ca 0.55 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.80 1egr n ASN 82 Cb 1.15 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 40.37 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 -2.40 5.82 -2.16 3.41 4.77 0.46 -4.79 117.00 122.10 1egr n LEU 83 Ca 0.00 -4.89 -0.17 0.00 -0.03 0.00 0.00 56.01 50.92 1egr n LEU 83 Cb 0.00 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.32 1egr n LEU 83 CO 0.00 1.99 1.62 -0.67 -1.33 0.00 0.00 177.39 179.00 1egr n ASP 84 N -0.61 5.65 0.00 -1.43 2.03 -1.25 -4.87 116.55 116.06 1egr n ASP 84 Ca 0.47 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 53.07 1egr n ASP 84 Cb 0.64 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28