#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 2.67 -0.03 0.03 -0.44 -1.26 -0.28 119.66 120.36 1egr s GLN 2 Ca 0.00 -0.99 -0.05 0.00 -2.50 0.00 0.00 55.36 51.82 1egr s GLN 2 Cb 0.00 -2.51 0.01 0.00 -1.64 0.00 0.00 33.01 28.87 1egr s GLN 2 CO 0.00 0.47 0.12 0.99 0.50 0.00 0.00 175.29 177.37 1egr s THR 3 N -1.77 0.03 -0.09 -0.34 2.01 -0.63 -1.09 115.64 113.76 1egr s THR 3 Ca 0.30 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1egr s THR 3 Cb -0.10 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.16 1egr s THR 3 CO 0.21 -0.15 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.18 1egr s VAL 4 N -0.48 1.22 -0.15 3.82 1.01 0.25 0.07 120.40 126.14 1egr s VAL 4 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1egr s VAL 4 Cb -0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1egr s VAL 4 CO 0.01 0.38 -0.04 -0.63 0.00 0.00 0.00 175.10 174.82 1egr s ILE 5 N 0.97 3.85 -0.31 2.22 1.09 0.00 -0.70 121.20 128.32 1egr s ILE 5 Ca -0.08 -0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 59.04 1egr s ILE 5 Cb -0.15 -2.68 0.03 0.00 -1.06 0.00 0.00 42.46 38.60 1egr s ILE 5 CO -0.00 0.50 0.06 -0.36 -0.10 0.00 0.00 174.94 175.03 1egr s PHE 6 N 0.34 3.21 0.00 3.97 0.40 -0.11 -0.39 117.98 125.40 1egr s PHE 6 Ca -0.05 -1.43 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1egr s PHE 6 Cb -0.14 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1egr s PHE 6 CO 0.03 -0.71 0.00 0.41 0.70 0.00 0.00 175.22 175.65 1egr n GLY 7 N 4.77 5.36 0.00 4.36 0.00 0.60 -2.43 105.19 117.84 1egr n GLY 7 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 1.10 -1.91 1.61 0.63 -1.26 -0.84 116.66 115.99 1egr n ARG 8 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1egr n ARG 8 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1egr n ARG 8 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1egr n SER 9 N -1.55 6.79 -0.02 6.15 7.64 -1.26 -4.21 113.62 127.16 1egr n SER 9 Ca 0.00 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1egr n SER 9 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 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 2.73 0.66 3.20 0.23 0.00 -1.26 -5.06 105.19 105.68 1egr n GLY 10 Ca 0.58 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr h PRO 12 N 8.20 0.00 -0.02 0.00 0.13 -1.97 0.22 132.00 138.55 1egr h PRO 12 Ca -0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.84 1egr h PRO 12 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1egr h PRO 12 CO 0.83 0.00 -0.58 1.88 -0.23 0.00 0.00 178.00 179.89 1egr h TYR 13 N 0.00 0.10 0.01 1.56 0.05 -1.97 -2.81 116.97 113.91 1egr h TYR 13 Ca 0.06 -0.04 -0.24 0.00 0.05 0.00 0.00 58.73 58.55 1egr h TYR 13 Cb 1.67 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 39.35 1egr h TYR 13 CO 0.00 0.64 -1.28 0.00 -1.05 0.00 0.00 178.16 176.47 1egr h VAL 15 N 0.01 0.50 0.16 0.00 2.07 -1.55 0.22 116.25 117.66 1egr h VAL 15 Ca -0.12 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1egr h VAL 15 Cb 1.87 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1egr h VAL 15 CO 0.12 0.00 -0.14 0.03 0.02 0.00 0.00 177.57 177.60 1egr h ARG 16 N 0.01 -0.30 -0.28 1.57 2.47 -1.59 0.29 114.38 116.55 1egr h ARG 16 Ca 0.24 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.05 1egr h ARG 16 Cb 0.37 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 1egr h ARG 16 CO -0.51 -0.20 -0.13 0.00 0.56 0.00 0.00 179.97 179.69 1egr h ALA 17 N 0.50 0.11 -0.13 0.04 0.00 -1.45 0.14 119.26 118.46 1egr h ALA 17 Ca -0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1egr h ALA 17 Cb 0.29 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1egr h ALA 17 CO -0.02 -0.52 -0.50 -0.22 0.00 0.00 0.00 179.25 177.99 1egr h LYS 18 N -0.08 -0.53 -0.28 0.00 3.11 -0.11 0.24 116.57 118.91 1egr h LYS 18 Ca 0.15 0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.09 1egr h LYS 18 Cb 0.31 0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 31.59 1egr h LYS 18 CO -0.34 -0.36 -0.20 0.22 -2.81 0.00 0.00 179.45 175.97 1egr h ASP 19 N -0.55 -0.65 0.16 4.20 3.58 0.27 0.39 116.42 123.82 1egr h ASP 19 Ca 0.05 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1egr h ASP 19 Cb 0.67 0.33 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 1egr h ASP 19 CO -0.42 -0.23 -0.32 0.25 -2.88 0.00 0.00 179.24 175.63 1egr h LEU 20 N -0.18 -0.94 -0.66 2.28 5.85 -0.15 0.60 115.31 122.10 1egr h LEU 20 Ca 0.15 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.10 1egr h LEU 20 Cb 0.41 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.66 1egr h LEU 20 CO -0.39 -0.37 -0.06 0.00 -0.34 0.00 0.00 178.44 177.28 1egr h ALA 21 N -1.04 0.58 -0.85 1.25 0.00 -0.27 0.51 119.26 119.44 1egr h ALA 21 Ca -0.02 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1egr h ALA 21 Cb 0.50 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1egr h ALA 21 CO -0.13 -0.41 0.50 1.49 0.00 0.00 0.00 179.25 180.70 1egr h GLU 22 N 0.07 0.82 0.37 0.00 4.81 0.37 0.30 114.58 121.32 1egr h GLU 22 Ca 0.34 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1egr h GLU 22 Cb 0.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1egr h GLU 22 CO -0.62 0.54 -0.18 -0.22 -0.73 0.00 0.00 179.01 177.80 1egr h LYS 23 N 0.84 -0.48 -0.66 1.92 1.63 0.50 0.14 116.57 120.46 1egr h LYS 23 Ca 0.41 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.38 1egr h LYS 23 Cb 0.35 0.11 -0.11 0.00 -0.60 0.00 0.00 32.23 31.98 1egr h LYS 23 CO -0.24 -0.21 0.04 -0.07 -3.45 0.00 0.00 179.45 175.52 1egr h LEU 24 N -0.71 -0.21 -0.72 5.20 3.38 -0.33 0.59 115.31 122.51 1egr h LEU 24 Ca -0.05 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.23 1egr h LEU 24 Cb 0.50 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 1egr h LEU 24 CO 0.08 -0.10 0.01 0.28 0.09 0.00 0.00 178.44 178.80 1egr h SER 25 N 0.15 -0.32 0.28 -0.43 0.02 0.30 0.22 113.55 113.77 1egr h SER 25 Ca 0.35 0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 61.29 1egr h SER 25 Cb 0.58 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1egr h SER 25 CO -0.54 -0.16 -0.79 -1.13 -1.14 0.00 0.00 176.83 173.07 1egr h ASN 26 N 0.11 0.50 0.06 3.07 -1.24 0.28 -3.28 115.58 115.07 1egr h ASN 26 Ca 0.39 -0.35 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 1egr h ASN 26 Cb 0.67 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1egr h ASN 26 CO -0.63 1.11 -0.64 -0.33 -1.29 0.00 0.00 177.43 175.64 1egr h GLU 27 N 0.26 0.56 -3.46 6.67 4.39 0.72 -3.42 114.58 120.31 1egr h GLU 27 Ca -0.04 -0.40 -0.47 0.00 0.34 0.00 0.00 59.36 58.79 1egr h GLU 27 Cb 1.39 0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.71 1egr h GLU 27 CO 0.14 1.02 -0.76 -0.98 -1.16 0.00 0.00 179.01 177.26 1egr s ARG 28 N -3.84 0.45 0.00 2.33 1.70 0.64 -5.01 118.95 115.22 1egr s ARG 28 Ca -0.07 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 1egr s ARG 28 Cb 0.11 -1.61 0.00 0.00 -0.57 0.00 0.00 34.95 32.88 1egr s ARG 28 CO 0.85 -0.53 0.10 -0.25 -1.08 0.00 0.00 175.30 174.39 1egr n ASP 29 N 5.15 0.02 -0.33 -2.89 8.00 -1.25 -1.07 116.55 124.18 1egr n ASP 29 Ca -0.07 -0.22 0.05 0.00 0.71 0.00 0.00 54.79 55.26 1egr n ASP 29 Cb 0.49 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.28 1.57 -4.33 -2.24 5.75 -1.26 -4.92 116.55 110.83 1egr n ASP 30 Ca 0.00 -1.28 -0.36 0.00 -0.01 0.00 0.00 54.79 53.13 1egr n ASP 30 Cb 0.01 0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.02 3.09 0.36 2.11 5.36 -0.23 0.19 117.98 127.83 1egr s PHE 31 Ca 0.10 -0.96 0.07 0.00 -0.96 0.00 0.00 56.93 55.19 1egr s PHE 31 Cb 0.08 -2.19 -0.07 0.00 -0.34 0.00 0.00 43.02 40.50 1egr s PHE 31 CO 0.17 -0.56 -0.02 -0.65 -1.46 0.00 0.00 175.22 172.70 1egr s GLN 32 N 1.49 1.83 0.24 10.12 -0.21 0.62 -3.92 119.66 129.82 1egr s GLN 32 Ca 0.04 -1.99 -0.22 0.00 0.02 0.00 0.00 55.36 53.20 1egr s GLN 32 Cb -0.16 -1.50 0.04 0.00 1.00 0.00 0.00 33.01 32.38 1egr s GLN 32 CO 0.00 0.00 0.76 1.52 -2.12 0.00 0.00 175.29 175.46 1egr s TYR 33 N -2.79 -0.21 0.02 0.91 1.13 -1.26 -1.61 117.35 113.54 1egr s TYR 33 Ca 0.34 -0.18 -0.05 0.00 -1.41 0.00 0.00 57.07 55.76 1egr s TYR 33 Cb 0.07 0.68 -0.01 0.00 -1.10 0.00 0.00 41.96 41.60 1egr s TYR 33 CO 0.16 -1.10 0.09 -1.14 -2.51 0.00 0.00 175.55 171.05 1egr s GLN 34 N -3.75 0.50 -0.06 -3.49 -0.44 0.11 -4.84 119.66 107.69 1egr s GLN 34 Ca 0.10 -0.59 0.05 0.00 -2.50 0.00 0.00 55.36 52.42 1egr s GLN 34 Cb -0.04 0.20 -0.01 0.00 -1.64 0.00 0.00 33.01 31.51 1egr s GLN 34 CO 0.04 -0.12 -0.22 -0.47 0.50 0.00 0.00 175.29 175.02 1egr s TYR 35 N -1.93 2.51 0.18 1.67 5.04 -1.26 -0.82 117.35 122.75 1egr s TYR 35 Ca -0.11 -0.61 0.07 0.00 -2.44 0.00 0.00 57.07 53.98 1egr s TYR 35 Cb -0.05 -1.62 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 1egr s TYR 35 CO -0.01 -0.14 -0.14 0.08 -1.34 0.00 0.00 175.55 173.99 1egr s VAL 36 N -0.22 1.59 -0.14 3.14 1.01 0.48 -4.95 120.40 121.30 1egr s VAL 36 Ca -0.01 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 59.83 1egr s VAL 36 Cb -0.13 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1egr s VAL 36 CO 0.03 -0.60 -0.12 -0.62 0.00 0.00 0.00 175.10 173.79 1egr s ASP 37 N -3.18 4.07 0.59 3.32 -1.08 -1.26 -0.29 116.67 118.83 1egr s ASP 37 Ca 0.20 -0.32 0.33 0.00 -0.52 0.00 0.00 52.55 52.24 1egr s ASP 37 Cb -0.01 -1.63 1.29 0.00 -1.46 0.00 0.00 42.92 41.12 1egr s ASP 37 CO 0.05 0.15 1.55 0.16 0.52 0.00 0.00 175.17 177.60 1egr h ILE 38 N 5.42 0.13 0.34 4.11 -0.00 -1.31 -0.26 117.51 125.93 1egr h ILE 38 Ca -0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.57 1egr h ILE 38 Cb 1.21 0.18 0.00 0.00 -0.00 0.00 0.00 36.82 38.21 1egr h ILE 38 CO 0.57 0.00 -0.16 -0.09 -0.00 0.00 0.00 178.15 178.46 1egr h ARG 39 N 0.00 -0.44 -0.77 0.16 2.43 -1.83 0.48 114.38 114.42 1egr h ARG 39 Ca 0.54 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.94 1egr h ARG 39 Cb 2.67 0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 32.17 1egr h ARG 39 CO -0.01 -0.25 -0.02 0.00 -1.51 0.00 0.00 179.97 178.18 1egr n ALA 40 N -2.73 0.36 -0.02 2.80 0.00 -0.12 -0.64 120.51 120.16 1egr n ALA 40 Ca -0.06 0.83 -0.21 0.00 0.00 0.00 0.00 53.44 54.00 1egr n ALA 40 Cb 0.20 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1egr n ALA 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1egr h GLU 41 N 0.00 0.17 0.00 0.00 5.08 -1.60 -3.50 114.58 114.73 1egr h GLU 41 Ca 0.45 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1egr h GLU 41 Cb 0.89 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1egr h GLU 41 CO -0.73 1.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.83 1egr n GLY 42 N 1.67 0.73 3.56 -3.84 0.00 0.10 -5.13 105.19 102.28 1egr n GLY 42 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.65 3.31 0.00 -0.61 1.01 0.13 -5.01 121.20 119.38 1egr s ILE 43 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1egr s ILE 43 Cb 0.00 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1egr s ILE 43 CO 0.00 0.18 0.00 0.35 0.00 0.00 0.00 174.94 175.47 1egr n THR 44 N 0.93 0.00 0.07 2.92 -2.24 -1.26 -4.60 114.28 110.10 1egr n THR 44 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1egr n THR 44 Cb 0.52 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 0.00 -0.29 -0.78 4.81 -1.26 -4.72 118.16 115.92 1egr n LYS 45 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1egr n LYS 45 Cb 0.00 -0.04 0.10 0.00 0.02 0.00 0.00 35.03 35.11 1egr n LYS 45 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1egr h GLU 46 N 0.00 -0.01 0.40 1.64 4.39 -1.96 0.44 114.58 119.48 1egr h GLU 46 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1egr h GLU 46 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1egr h GLU 46 CO 0.00 -0.01 -0.19 0.22 -1.16 0.00 0.00 179.01 177.87 1egr h ASP 47 N -0.01 -0.46 -0.74 1.42 3.58 -1.98 -0.10 116.42 118.13 1egr h ASP 47 Ca 0.39 -0.07 0.11 0.00 0.42 0.00 0.00 57.03 57.88 1egr h ASP 47 Cb 0.61 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.70 1egr h ASP 47 CO -0.86 -0.20 0.35 -0.07 -2.88 0.00 0.00 179.24 175.58 1egr h LEU 48 N -0.71 0.43 0.23 2.28 3.38 -1.50 0.40 115.31 119.83 1egr h LEU 48 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1egr h LEU 48 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1egr h LEU 48 CO 0.09 0.22 -0.21 -0.61 0.09 0.00 0.00 178.44 178.03 1egr h GLN 49 N 0.57 -0.44 0.20 1.13 4.15 -0.03 0.54 115.11 121.22 1egr h GLN 49 Ca 0.38 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.84 1egr h GLN 49 Cb 0.47 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1egr h GLN 49 CO -0.32 -0.30 -0.44 0.37 -1.93 0.00 0.00 178.83 176.22 1egr h GLN 50 N -0.46 -0.70 -0.28 1.69 4.15 0.96 0.42 115.11 120.88 1egr h GLN 50 Ca -0.01 0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.52 1egr h GLN 50 Cb 0.42 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.21 1egr h GLN 50 CO -0.03 -0.47 -0.09 0.87 -1.93 0.00 0.00 178.83 177.19 1egr h LYS 51 N -0.73 -0.02 0.16 1.69 1.57 -0.12 -2.94 116.57 116.18 1egr h LYS 51 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1egr h LYS 51 Cb 0.72 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1egr h LYS 51 CO -0.21 -0.01 -0.34 0.00 -0.57 0.00 0.00 179.45 178.32 1egr h ALA 52 N 1.25 -0.60 0.00 3.86 0.00 0.38 -3.46 119.26 120.69 1egr h ALA 52 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1egr h ALA 52 Cb 0.23 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1egr h ALA 52 CO -0.30 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.46 1egr n GLY 53 N -1.43 3.25 3.91 0.00 0.00 0.11 -4.78 105.19 106.25 1egr n GLY 53 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.56 3.13 -0.36 1.61 1.02 -1.26 -5.05 119.74 118.27 1egr s LYS 54 Ca 0.00 -0.96 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 1egr s LYS 54 Cb 0.00 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1egr s LYS 54 CO 0.00 0.33 1.49 -2.14 -0.92 0.00 0.00 175.35 174.10 1egr s PRO 55 N -3.96 3.60 0.15 -1.68 0.02 -1.26 -4.86 135.00 127.01 1egr s PRO 55 Ca 0.36 1.14 0.05 0.00 0.02 0.00 0.00 61.00 62.57 1egr s PRO 55 Cb -0.08 -4.04 -0.04 0.00 0.02 0.00 0.00 34.50 30.36 1egr s PRO 55 CO 0.28 -1.53 -0.11 0.14 -0.33 0.00 0.00 177.00 175.45 1egr s VAL 56 N 5.52 1.22 0.00 3.83 -7.23 -1.26 -5.07 120.40 117.41 1egr s VAL 56 Ca 0.65 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1egr s VAL 56 Cb -0.17 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1egr s VAL 56 CO 0.31 -0.69 0.00 -1.84 -0.31 0.00 0.00 175.10 172.57 1egr n GLU 57 N -0.10 0.00 0.00 4.82 0.00 -1.26 -4.91 120.64 119.19 1egr n GLU 57 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1egr n GLU 57 Cb 0.60 -0.50 0.00 0.00 0.00 0.00 0.00 31.44 31.54 1egr n GLU 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1egr n THR 58 N -2.08 0.00 -4.33 3.84 -1.04 -1.26 -4.96 114.28 104.45 1egr n THR 58 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1egr n THR 58 Cb 0.16 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.60 1egr n THR 58 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1egr s VAL 59 N 2.61 1.85 0.46 12.58 -7.23 -1.26 -4.86 120.40 124.55 1egr s VAL 59 Ca 0.00 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1egr s VAL 59 Cb 0.00 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.38 1egr s VAL 59 CO 0.00 0.00 0.64 -0.81 -0.31 0.00 0.00 175.10 174.62 1egr n PRO 60 N -1.29 0.69 -4.18 4.82 -0.04 -1.26 -5.00 135.00 128.74 1egr n PRO 60 Ca -0.06 -2.48 -0.16 0.00 -0.04 0.00 0.00 63.50 60.75 1egr n PRO 60 Cb 0.66 -0.19 -0.13 0.00 -0.04 0.00 0.00 33.50 33.79 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 -4.09 0.60 0.05 0.54 -0.21 -1.02 -4.33 119.66 111.21 1egr s GLN 61 Ca 0.48 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.40 1egr s GLN 61 Cb -0.04 -0.51 -0.03 0.00 1.00 0.00 0.00 33.01 33.44 1egr s GLN 61 CO 0.31 0.12 -0.21 0.42 -2.12 0.00 0.00 175.29 173.81 1egr s ILE 62 N -0.76 1.67 0.16 1.08 1.09 0.58 -0.93 121.20 124.08 1egr s ILE 62 Ca -0.02 -1.26 0.04 0.00 -1.10 0.00 0.00 60.65 58.31 1egr s ILE 62 Cb -0.06 -1.46 -0.05 0.00 -1.06 0.00 0.00 42.46 39.83 1egr s ILE 62 CO 0.00 0.16 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.56 1egr s PHE 63 N -0.86 1.30 0.49 3.97 0.40 0.12 -1.54 117.98 121.86 1egr s PHE 63 Ca 0.07 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1egr s PHE 63 Cb -0.09 -0.68 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 1egr s PHE 63 CO 0.02 0.05 0.27 0.08 0.70 0.00 0.00 175.22 176.34 1egr s VAL 64 N -3.36 1.87 -1.12 -0.44 1.01 0.71 -0.58 120.40 118.49 1egr s VAL 64 Ca 0.19 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1egr s VAL 64 Cb 0.03 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1egr s VAL 64 CO 0.02 0.00 1.01 -0.67 0.00 0.00 0.00 175.10 175.46 1egr n ASP 65 N -1.51 0.00 0.04 3.32 2.03 -0.25 -3.83 116.55 116.35 1egr n ASP 65 Ca -0.04 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1egr n ASP 65 Cb 0.65 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 -1.44 0.00 -4.69 -0.67 6.02 -1.26 -5.02 117.38 110.32 1egr n GLN 66 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 1egr n GLN 66 Cb 0.02 -0.43 -0.09 0.00 1.02 0.00 0.00 30.24 30.77 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 -2.00 2.08 0.27 -1.09 -1.52 -1.25 -5.14 119.66 111.02 1egr s GLN 67 Ca 0.00 -2.29 -0.04 0.00 -1.95 0.00 0.00 55.36 51.08 1egr s GLN 67 Cb 0.00 -1.42 -0.05 0.00 -0.22 0.00 0.00 33.01 31.32 1egr s GLN 67 CO 0.00 -0.30 0.52 -1.58 -0.25 0.00 0.00 175.29 173.69 1egr s HIS 68 N -2.90 3.48 -0.07 0.91 5.65 -1.26 -0.21 115.29 120.89 1egr s HIS 68 Ca 0.16 0.59 -0.03 0.00 0.25 0.00 0.00 55.06 56.03 1egr s HIS 68 Cb 0.04 -2.06 -0.03 0.00 -1.18 0.00 0.00 32.58 29.35 1egr s HIS 68 CO 0.08 0.21 -0.09 -0.89 -0.65 0.00 0.00 174.74 173.41 1egr n ILE 69 N -0.87 0.38 0.00 0.89 2.08 -0.59 -4.87 119.36 116.37 1egr n ILE 69 Ca -0.02 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1egr n ILE 69 Cb 0.54 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 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 2.62 0.28 1.33 7.39 0.00 -1.13 -4.80 105.19 110.88 1egr n GLY 70 Ca -0.13 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 2.94 0.35 -0.02 0.00 -1.26 -0.31 105.19 106.89 1egr n GLY 71 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.95 0.16 0.05 1.61 9.36 -1.26 -0.32 117.16 125.81 1egr n TYR 72 Ca -0.01 1.16 -0.15 0.00 3.32 0.00 0.00 57.90 62.23 1egr n TYR 72 Cb 0.22 -0.94 -0.08 0.00 -0.63 0.00 0.00 39.34 37.91 1egr n TYR 72 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1egr h THR 73 N 0.00 0.06 0.03 2.97 1.35 -1.96 0.28 112.91 115.64 1egr h THR 73 Ca 0.38 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.27 1egr h THR 73 Cb 0.62 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.06 1egr h THR 73 CO -0.95 0.00 -0.26 0.44 -0.25 0.00 0.00 175.52 174.49 1egr h ASP 74 N -0.63 -0.77 -0.12 5.36 5.19 -1.08 -0.56 116.42 123.81 1egr h ASP 74 Ca 0.03 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1egr h ASP 74 Cb 0.70 0.31 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1egr h ASP 74 CO -0.35 -0.34 -0.18 0.15 -3.12 0.00 0.00 179.24 175.41 1egr h PHE 75 N -0.42 -0.46 -0.38 4.55 3.57 -0.30 0.43 116.94 123.93 1egr h PHE 75 Ca 0.05 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1egr h PHE 75 Cb 0.49 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1egr h PHE 75 CO -0.28 -0.25 -0.06 0.00 -2.23 0.00 0.00 178.31 175.48 1egr h ALA 76 N 0.79 0.29 0.59 2.41 0.00 -0.04 0.31 119.26 123.62 1egr h ALA 76 Ca 0.09 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1egr h ALA 76 Cb 0.36 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1egr h ALA 76 CO -0.25 -0.44 -0.29 0.00 0.00 0.00 0.00 179.25 178.27 1egr h ALA 77 N 1.37 -0.80 -0.42 0.00 0.00 -0.31 -0.33 119.26 118.76 1egr h ALA 77 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1egr h ALA 77 Cb 0.28 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1egr h ALA 77 CO -0.37 -0.95 -0.20 2.35 0.00 0.00 0.00 179.25 180.08 1egr h TRP 78 N -0.80 -0.52 -0.01 0.00 7.01 0.43 0.20 115.95 122.27 1egr h TRP 78 Ca -0.08 0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.98 1egr h TRP 78 Cb 0.61 0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 1egr h TRP 78 CO -0.03 -0.29 -0.36 0.28 -2.79 0.00 0.00 178.44 175.25 1egr h VAL 79 N -0.12 0.00 -0.80 2.65 2.07 -0.21 -0.92 116.25 118.91 1egr h VAL 79 Ca 0.20 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.90 1egr h VAL 79 Cb 0.44 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.06 1egr h VAL 79 CO -0.50 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 177.51 1egr h LYS 80 N -0.44 0.05 -0.93 1.57 3.11 -0.09 0.19 116.57 120.02 1egr h LYS 80 Ca 0.01 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.58 1egr h LYS 80 Cb 0.48 -0.01 -0.16 0.00 -1.00 0.00 0.00 32.23 31.54 1egr h LYS 80 CO -0.25 0.03 0.34 0.39 -2.81 0.00 0.00 179.45 177.15 1egr n GLU 81 N -5.44 2.30 0.00 1.90 -0.58 -0.03 -3.53 120.64 115.25 1egr n GLU 81 Ca 0.14 -2.07 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1egr n GLU 81 Cb 0.48 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1egr n ASN 82 N -0.36 0.00 -0.54 1.62 3.02 0.41 -4.91 115.26 114.50 1egr n ASN 82 Ca 0.35 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.96 1egr n ASN 82 Cb 1.20 0.02 0.08 0.00 -0.61 0.00 0.00 39.78 40.47 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 -1.68 2.30 0.00 3.41 4.77 0.22 -4.96 117.00 121.06 1egr n LEU 83 Ca 0.00 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1egr n LEU 83 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1egr n LEU 83 CO 0.00 0.49 0.00 -0.67 -1.33 0.00 0.00 177.39 175.88 1egr n ASP 84 N 0.65 0.00 0.00 -1.43 2.03 -1.22 -5.02 116.55 111.55 1egr n ASP 84 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1egr n ASP 84 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28