#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cre h SER 2 N 0.00 -0.91 -1.81 1.61 0.87 -2.12 -3.36 113.55 107.83 2cre h SER 2 Ca 0.00 0.21 -0.52 0.00 -1.23 0.00 0.00 61.79 60.25 2cre h SER 2 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2cre h SER 2 CO 0.00 -0.27 1.56 -0.44 -0.53 0.00 0.00 176.83 177.15 2cre s SER 3 N -5.19 4.91 0.23 6.23 0.01 -1.26 -4.86 113.70 113.78 2cre s SER 3 Ca -0.14 1.39 -0.21 0.00 1.31 0.00 0.00 55.95 58.30 2cre s SER 3 Cb 0.18 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.97 2cre s SER 3 CO 0.71 -2.46 0.97 -0.83 0.41 0.00 0.00 173.24 172.04 2cre s GLY 4 N 10.32 0.14 0.97 3.44 0.00 -1.26 -5.16 107.32 115.77 2cre s GLY 4 Ca 0.97 -0.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.17 2cre s GLY 4 CO 0.30 1.60 0.40 -1.14 0.00 0.00 0.00 173.10 174.26 2cre n SER 5 N -1.19 -1.99 0.00 1.64 3.41 -1.26 -4.98 113.62 109.25 2cre n SER 5 Ca -0.04 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2cre n SER 5 Cb 0.60 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2cre n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cre n SER 6 N -1.58 2.23 -1.07 4.04 7.64 -1.26 -5.13 113.62 118.48 2cre n SER 6 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2cre n SER 6 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2cre n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cre n GLY 7 N 3.08 -2.15 3.94 0.23 0.00 -1.26 -5.08 105.19 103.94 2cre n GLY 7 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 2cre n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cre s LEU 8 N 0.00 2.85 -0.09 0.99 2.01 -1.00 -4.89 118.68 118.55 2cre s LEU 8 Ca 0.00 0.30 0.02 0.00 0.01 0.00 0.00 54.13 54.47 2cre s LEU 8 Cb 0.00 -2.86 0.01 0.00 0.01 0.00 0.00 46.19 43.35 2cre s LEU 8 CO 0.00 -1.73 -0.16 -0.76 1.01 0.00 0.00 176.35 174.71 2cre s LEU 9 N -5.28 1.78 0.02 1.79 1.43 -1.26 -1.64 118.68 115.52 2cre s LEU 9 Ca 0.62 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2cre s LEU 9 Cb -0.09 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 2cre s LEU 9 CO 0.45 0.06 -0.07 0.00 0.23 0.00 0.00 176.35 177.02 2cre s ALA 10 N 0.71 0.54 0.41 4.21 0.00 -0.41 -2.78 121.76 124.45 2cre s ALA 10 Ca -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2cre s ALA 10 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2cre s ALA 10 CO 0.03 0.05 0.61 0.50 0.00 0.00 0.00 175.76 176.95 2cre s ARG 11 N -0.94 3.13 -0.42 0.00 3.52 -0.97 -0.13 118.95 123.13 2cre s ARG 11 Ca -0.04 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 54.94 2cre s ARG 11 Cb -0.07 -2.62 0.11 0.00 -1.56 0.00 0.00 34.95 30.81 2cre s ARG 11 CO 0.00 -0.15 0.24 0.00 -0.81 0.00 0.00 175.30 174.58 2cre s ALA 12 N -2.45 3.22 0.32 6.12 0.00 -0.82 -2.16 121.76 125.99 2cre s ALA 12 Ca 0.46 -2.54 0.22 0.00 0.00 0.00 0.00 51.96 50.11 2cre s ALA 12 Cb -0.10 -2.52 1.08 0.00 0.00 0.00 0.00 23.12 21.58 2cre s ALA 12 CO 0.36 -1.83 1.93 -0.07 0.00 0.00 0.00 175.76 176.15 2cre h LEU 13 N 8.15 0.00 -7.90 0.00 3.38 -1.85 -0.30 115.31 116.79 2cre h LEU 13 Ca -0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2cre h LEU 13 Cb 1.05 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 2cre h LEU 13 CO 0.74 0.23 -0.56 -0.31 0.09 0.00 0.00 178.44 178.63 2cre s TYR 14 N -4.02 0.20 0.23 1.13 2.02 -1.26 -4.81 117.35 110.84 2cre s TYR 14 Ca -0.02 -0.46 -0.28 0.00 -0.37 0.00 0.00 57.07 55.94 2cre s TYR 14 Cb 0.13 -0.15 -0.09 0.00 -0.40 0.00 0.00 41.96 41.45 2cre s TYR 14 CO 0.64 -0.31 0.89 0.16 -1.57 0.00 0.00 175.55 175.36 2cre s ASP 15 N -1.87 7.55 -0.17 2.29 1.47 -1.26 -4.40 116.67 120.28 2cre s ASP 15 Ca -0.09 1.86 -0.03 0.00 1.18 0.00 0.00 52.55 55.46 2cre s ASP 15 Cb -0.04 -2.58 -0.02 0.00 -0.34 0.00 0.00 42.92 39.94 2cre s ASP 15 CO -0.03 0.15 -0.05 0.21 0.68 0.00 0.00 175.17 176.14 2cre s ASN 16 N -1.21 4.62 -0.92 2.11 2.47 0.51 -4.94 114.94 117.58 2cre s ASN 16 Ca 0.40 -0.20 -0.04 0.00 0.42 0.00 0.00 52.86 53.44 2cre s ASN 16 Cb -0.25 -1.76 0.23 0.00 -1.45 0.00 0.00 41.25 38.02 2cre s ASN 16 CO 0.30 0.13 0.82 0.00 -3.72 0.00 0.00 177.10 174.63 2cre s PRO 18 N -1.21 1.01 0.00 0.00 0.04 -1.26 -5.01 135.00 128.57 2cre s PRO 18 Ca 0.27 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2cre s PRO 18 Cb -0.09 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2cre s PRO 18 CO -0.11 -2.39 0.00 -0.40 0.04 0.00 0.00 177.00 174.14 2cre n ASP 19 N -3.97 4.65 -4.58 6.66 5.68 -1.26 -5.04 116.55 118.69 2cre n ASP 19 Ca 0.06 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.11 2cre n ASP 19 Cb 0.56 0.77 -0.09 0.00 -1.14 0.00 0.00 41.12 41.22 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cre h SER 21 N 1.98 0.64 -0.45 0.00 4.64 -2.00 -3.10 113.55 115.26 2cre h SER 21 Ca -0.42 -0.10 0.06 0.00 -0.47 0.00 0.00 61.79 60.86 2cre h SER 21 Cb 1.25 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 2cre h SER 21 CO 0.63 0.62 -0.53 0.44 -0.87 0.00 0.00 176.83 177.12 2cre h ASP 22 N 0.68 -1.79 -3.69 4.97 3.32 -1.96 -3.42 116.42 114.53 2cre h ASP 22 Ca 0.16 0.24 -0.45 0.00 0.02 0.00 0.00 57.03 57.00 2cre h ASP 22 Cb 0.23 0.75 0.18 0.00 0.22 0.00 0.00 39.33 40.70 2cre h ASP 22 CO -0.01 -0.39 0.13 -1.61 -1.72 0.00 0.00 179.24 175.65 2cre s GLU 23 N -5.68 0.03 0.01 3.56 2.02 -1.17 -0.60 118.70 116.86 2cre s GLU 23 Ca -0.14 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.57 2cre s GLU 23 Cb 0.09 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 2cre s GLU 23 CO 0.62 -3.05 -0.06 -1.17 0.02 0.00 0.00 175.26 171.63 2cre s LEU 24 N -6.72 3.22 -0.42 1.80 0.20 0.16 -4.20 118.68 112.72 2cre s LEU 24 Ca 0.66 -0.13 -0.07 0.00 0.69 0.00 0.00 54.13 55.28 2cre s LEU 24 Cb -0.21 -1.85 0.09 0.00 -0.43 0.00 0.00 46.19 43.79 2cre s LEU 24 CO 0.60 0.28 0.25 0.00 -0.29 0.00 0.00 176.35 177.18 2cre s ALA 25 N -1.02 3.24 0.09 5.97 0.00 -1.26 -4.44 121.76 124.34 2cre s ALA 25 Ca 0.18 -2.30 0.03 0.00 0.00 0.00 0.00 51.96 49.86 2cre s ALA 25 Cb -0.11 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2cre s ALA 25 CO 0.08 -1.72 -0.09 -0.59 0.00 0.00 0.00 175.76 173.45 2cre s PHE 26 N 1.33 0.97 0.58 0.00 -0.12 -1.23 -5.01 117.98 114.49 2cre s PHE 26 Ca 0.04 -0.71 0.08 0.00 -0.05 0.00 0.00 56.93 56.30 2cre s PHE 26 Cb -0.23 -0.54 0.08 0.00 -0.63 0.00 0.00 43.02 41.69 2cre s PHE 26 CO -0.00 -0.05 0.67 -1.12 -0.05 0.00 0.00 175.22 174.67 2cre s SER 27 N -2.51 4.90 0.14 1.98 0.01 -1.26 -0.36 113.70 116.60 2cre s SER 27 Ca 0.05 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 55.99 2cre s SER 27 Cb -0.01 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.57 2cre s SER 27 CO -0.01 -1.30 1.06 -0.60 0.41 0.00 0.00 173.24 172.79 2cre s ARG 28 N -4.55 4.62 0.00 12.44 3.00 -1.26 -3.41 118.95 129.78 2cre s ARG 28 Ca 0.52 1.62 0.00 0.00 -1.00 0.00 0.00 55.73 56.87 2cre s ARG 28 Cb -0.04 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.59 2cre s ARG 28 CO 0.33 0.10 0.00 0.41 0.00 0.00 0.00 175.30 176.13 2cre n GLY 29 N 2.22 0.66 3.65 8.12 0.00 -0.12 -4.98 105.19 114.74 2cre n GLY 29 Ca 0.03 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2cre n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cre s ASP 30 N -2.47 5.04 -0.26 1.61 1.11 -1.22 -4.90 116.67 115.58 2cre s ASP 30 Ca 0.00 0.09 -0.20 0.00 0.18 0.00 0.00 52.55 52.62 2cre s ASP 30 Cb 0.00 -1.38 -0.02 0.00 1.07 0.00 0.00 42.92 42.59 2cre s ASP 30 CO 0.00 0.37 0.61 -0.63 1.18 0.00 0.00 175.17 176.70 2cre s ILE 31 N -0.84 5.00 -0.13 0.77 -1.09 -1.26 -1.94 121.20 121.71 2cre s ILE 31 Ca 0.13 1.07 -0.04 0.00 -2.23 0.00 0.00 60.65 59.58 2cre s ILE 31 Cb -0.11 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 2cre s ILE 31 CO 0.02 0.03 0.02 -0.76 -1.23 0.00 0.00 174.94 173.03 2cre s LEU 32 N 2.47 3.66 -0.60 2.97 2.01 0.81 -4.96 118.68 125.04 2cre s LEU 32 Ca 0.25 0.10 -0.20 0.00 0.01 0.00 0.00 54.13 54.29 2cre s LEU 32 Cb -0.15 -1.88 0.08 0.00 0.01 0.00 0.00 46.19 44.25 2cre s LEU 32 CO 0.09 0.28 0.78 -0.89 1.01 0.00 0.00 176.35 177.61 2cre s THR 33 N -0.25 4.66 -0.59 5.49 2.01 -1.25 -1.28 115.64 124.42 2cre s THR 33 Ca 0.07 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 2cre s THR 33 Cb -0.12 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 67.81 2cre s THR 33 CO 0.02 -1.18 2.19 -0.63 -0.69 0.00 0.00 174.62 174.33 2cre s ILE 34 N 3.15 3.15 0.10 1.82 1.01 -0.65 -2.39 121.20 127.39 2cre s ILE 34 Ca 0.16 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 2cre s ILE 34 Cb -0.21 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 2cre s ILE 34 CO 0.09 -0.38 1.58 -0.07 0.00 0.00 0.00 174.94 176.16 2cre h LEU 35 N 18.71 0.41 -7.49 2.97 3.38 -0.50 -2.65 115.31 130.15 2cre h LEU 35 Ca -0.20 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.32 2cre h LEU 35 Cb 1.19 -0.11 -0.28 0.00 0.09 0.00 0.00 40.66 41.55 2cre h LEU 35 CO 1.17 0.55 -0.54 -1.83 0.09 0.00 0.00 178.44 177.88 2cre s GLU 36 N -5.24 0.17 -0.11 1.13 -1.05 -1.19 -4.67 118.70 107.74 2cre s GLU 36 Ca -0.14 0.33 -0.08 0.00 -0.15 0.00 0.00 54.97 54.93 2cre s GLU 36 Cb 0.08 -0.02 -0.27 0.00 -0.44 0.00 0.00 34.13 33.48 2cre s GLU 36 CO 0.74 -0.09 0.41 1.96 0.95 0.00 0.00 175.26 179.23 2cre h GLN 37 N 6.50 0.28 -6.25 -4.83 4.20 -1.92 -3.13 115.11 109.97 2cre h GLN 37 Ca -0.33 -0.48 -0.53 0.00 0.06 0.00 0.00 58.65 57.37 2cre h GLN 37 Cb 1.17 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 29.08 2cre h GLN 37 CO 0.40 1.23 1.18 -1.58 -0.67 0.00 0.00 178.83 179.39 2cre s HIS 38 N -2.55 2.06 -0.44 2.96 2.46 -1.26 -4.86 115.29 113.66 2cre s HIS 38 Ca -0.22 0.43 0.03 0.00 0.47 0.00 0.00 55.06 55.78 2cre s HIS 38 Cb 0.06 -4.35 0.12 0.00 -0.13 0.00 0.00 32.58 28.28 2cre s HIS 38 CO 0.78 -2.15 0.18 0.08 -2.47 0.00 0.00 174.74 171.15 2cre s VAL 39 N 7.00 2.17 0.07 0.89 1.01 -1.26 -4.97 120.40 125.31 2cre s VAL 39 Ca 0.53 -2.75 -0.17 0.00 0.00 0.00 0.00 61.98 59.59 2cre s VAL 39 Cb -0.11 -2.54 -0.11 0.00 0.00 0.00 0.00 36.38 33.62 2cre s VAL 39 CO 0.21 -0.75 1.39 1.55 0.00 0.00 0.00 175.10 177.50 2cre h PRO 40 N 6.99 0.54 -0.92 2.72 0.13 -1.96 -3.15 132.00 136.36 2cre h PRO 40 Ca -0.06 -0.28 0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2cre h PRO 40 Cb 0.95 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 2cre h PRO 40 CO 0.59 0.87 0.59 1.05 -0.23 0.00 0.00 178.00 180.86 2cre h GLU 41 N 0.23 0.67 -3.99 0.86 4.11 -2.01 -3.37 114.58 111.07 2cre h GLU 41 Ca 0.04 -0.04 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2cre h GLU 41 Cb 0.76 -0.15 -0.38 0.00 0.50 0.00 0.00 28.75 29.48 2cre h GLU 41 CO 0.05 0.44 -0.79 0.45 0.07 0.00 0.00 179.01 179.24 2cre s SER 42 N -5.71 2.40 -0.09 3.06 0.15 -1.19 -5.12 113.70 107.20 2cre s SER 42 Ca -0.10 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 55.82 2cre s SER 42 Cb 0.22 -0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 63.77 2cre s SER 42 CO 0.79 -0.19 0.88 -1.61 1.20 0.00 0.00 173.24 174.31 2cre s GLU 43 N 1.76 4.42 0.00 5.44 2.02 -1.25 -3.66 118.70 127.43 2cre s GLU 43 Ca 0.03 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.19 2cre s GLU 43 Cb -0.14 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2cre s GLU 43 CO -0.07 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2cre n GLY 44 N 3.16 0.61 3.15 -1.39 0.00 -1.26 -5.07 105.19 104.39 2cre n GLY 44 Ca 0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2cre n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cre s TRP 45 N -2.02 0.92 -0.03 1.61 0.52 -1.24 -3.36 118.94 115.35 2cre s TRP 45 Ca 0.00 -0.71 0.03 0.00 0.02 0.00 0.00 56.10 55.44 2cre s TRP 45 Cb 0.00 -0.52 0.00 0.00 -1.15 0.00 0.00 33.47 31.80 2cre s TRP 45 CO 0.00 -0.07 -0.11 -1.58 0.02 0.00 0.00 176.95 175.21 2cre s TRP 46 N -2.63 1.13 -0.73 -1.98 0.51 0.22 -4.60 118.94 110.85 2cre s TRP 46 Ca 0.04 -0.29 -0.22 0.00 -2.12 0.00 0.00 56.10 53.51 2cre s TRP 46 Cb -0.02 -0.78 0.08 0.00 -0.81 0.00 0.00 33.47 31.94 2cre s TRP 46 CO -0.02 -0.11 1.04 0.21 -0.51 0.00 0.00 176.95 177.56 2cre s LYS 47 N 0.13 3.23 0.29 4.98 2.20 -1.18 0.20 119.74 129.59 2cre s LYS 47 Ca -0.03 -0.99 0.07 0.00 -0.36 0.00 0.00 55.97 54.66 2cre s LYS 47 Cb -0.09 -4.41 -0.03 0.00 -1.51 0.00 0.00 37.83 31.78 2cre s LYS 47 CO 0.01 -1.85 0.22 0.00 -0.36 0.00 0.00 175.35 173.37 2cre s LEU 49 N -3.90 2.16 -0.16 0.00 1.98 -1.01 -2.56 118.68 115.20 2cre s LEU 49 Ca 0.36 -0.55 -0.12 0.00 -2.89 0.00 0.00 54.13 50.93 2cre s LEU 49 Cb -0.07 -1.45 0.05 0.00 0.66 0.00 0.00 46.19 45.38 2cre s LEU 49 CO 0.25 0.13 0.41 -0.22 -1.89 0.00 0.00 176.35 175.02 2cre s LEU 50 N 0.54 0.25 -1.31 -0.68 2.96 -1.26 -3.87 118.68 115.31 2cre s LEU 50 Ca -0.13 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 54.50 2cre s LEU 50 Cb -0.17 1.37 0.12 0.00 0.50 0.00 0.00 46.19 48.01 2cre s LEU 50 CO 0.04 -0.16 0.30 1.41 -1.32 0.00 0.00 176.35 176.62 2cre n HIS 51 N 3.39 -0.88 -3.28 5.38 8.25 -1.26 0.11 115.22 126.94 2cre n HIS 51 Ca -0.17 0.49 -0.15 0.00 -0.26 0.00 0.00 57.72 57.62 2cre n HIS 51 Cb 0.56 -1.59 0.08 0.00 1.12 0.00 0.00 29.99 30.16 2cre n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cre n GLY 52 N -1.32 -0.41 0.19 -1.41 0.00 -1.26 -4.97 105.19 96.00 2cre n GLY 52 Ca -0.02 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 2cre n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cre n ARG 53 N -3.74 0.52 -3.49 1.61 5.12 0.30 -5.03 116.66 111.95 2cre n ARG 53 Ca -0.23 0.22 -0.19 0.00 -1.93 0.00 0.00 57.85 55.72 2cre n ARG 53 Cb 0.65 -1.39 0.07 0.00 -1.16 0.00 0.00 32.46 30.63 2cre n ARG 53 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2cre n GLN 54 N -4.25 -4.76 -4.50 5.56 6.02 -1.25 -4.95 117.38 109.25 2cre n GLN 54 Ca -0.34 0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 57.11 2cre n GLN 54 Cb 0.69 -5.53 -0.07 0.00 1.02 0.00 0.00 30.24 26.35 2cre n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cre n GLY 55 N -1.32 3.52 3.92 1.08 0.00 -1.06 -4.95 105.19 106.37 2cre n GLY 55 Ca -0.23 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.22 2cre n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cre s LEU 56 N 0.00 3.70 -0.02 0.99 1.43 0.23 -1.37 118.68 123.63 2cre s LEU 56 Ca 0.05 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 53.92 2cre s LEU 56 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2cre s LEU 56 CO 0.03 -0.53 0.09 0.00 0.23 0.00 0.00 176.35 176.17 2cre s ALA 57 N -2.65 -0.21 -0.37 4.21 0.00 0.53 0.38 121.76 123.64 2cre s ALA 57 Ca 0.46 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 2cre s ALA 57 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2cre s ALA 57 CO 0.43 -0.08 1.71 -1.25 0.00 0.00 0.00 175.76 176.57 2cre s PRO 58 N -0.35 3.34 0.21 0.00 0.04 -1.26 0.69 135.00 137.67 2cre s PRO 58 Ca -0.04 1.25 0.14 0.00 0.04 0.00 0.00 61.00 62.39 2cre s PRO 58 Cb -0.03 -4.17 0.74 0.00 0.04 0.00 0.00 34.50 31.08 2cre s PRO 58 CO 0.00 -1.85 1.40 0.00 0.04 0.00 0.00 177.00 176.59 2cre n ALA 59 N 10.12 0.99 0.20 8.56 0.00 -1.21 -0.51 120.51 138.65 2cre n ALA 59 Ca 0.21 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.87 2cre n ALA 59 Cb 0.47 -1.16 0.19 0.00 0.00 0.00 0.00 19.45 18.95 2cre n ALA 59 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2cre h ASN 60 N 0.00 0.00 -0.17 0.00 -1.24 -1.88 -3.16 115.58 109.12 2cre h ASN 60 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2cre h ASN 60 Cb 0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2cre h ASN 60 CO 0.00 0.17 0.00 0.54 -1.29 0.00 0.00 177.43 176.85 2cre n ARG 61 N -3.16 1.64 -4.00 6.67 1.74 0.34 -4.98 116.66 114.90 2cre n ARG 61 Ca 0.03 -1.64 -0.31 0.00 -0.77 0.00 0.00 57.85 55.16 2cre n ARG 61 Cb 0.57 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 2cre n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cre s LEU 62 N -1.09 4.00 -0.31 0.55 2.01 -1.05 -2.70 118.68 120.10 2cre s LEU 62 Ca 0.21 0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.47 2cre s LEU 62 Cb 0.13 -2.66 0.09 0.00 0.01 0.00 0.00 46.19 43.76 2cre s LEU 62 CO 0.18 0.17 0.01 -1.58 1.01 0.00 0.00 176.35 176.14 2cre s GLN 63 N -2.43 1.59 -0.06 1.70 0.74 -0.92 -4.94 119.66 115.34 2cre s GLN 63 Ca 0.31 -1.59 -0.30 0.00 0.05 0.00 0.00 55.36 53.84 2cre s GLN 63 Cb -0.12 -2.95 -0.06 0.00 1.10 0.00 0.00 33.01 30.98 2cre s GLN 63 CO 0.24 -0.82 1.67 0.42 -0.55 0.00 0.00 175.29 176.25 2cre s ILE 64 N 1.07 3.55 0.57 -2.34 -1.09 -1.26 -2.29 121.20 119.41 2cre s ILE 64 Ca 0.05 0.67 -0.08 0.00 -2.23 0.00 0.00 60.65 59.05 2cre s ILE 64 Cb -0.19 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2cre s ILE 64 CO -0.09 -0.07 0.92 -0.76 -1.23 0.00 0.00 174.94 173.72 2cre s LEU 65 N 4.13 3.35 -0.30 2.97 1.43 -1.12 -5.02 118.68 124.12 2cre s LEU 65 Ca 0.74 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 54.78 2cre s LEU 65 Cb -0.34 -4.04 0.17 0.00 0.03 0.00 0.00 46.19 42.01 2cre s LEU 65 CO 0.30 -0.83 1.03 -0.94 0.23 0.00 0.00 176.35 176.14 2cre s SER 66 N -4.19 -0.49 0.00 2.29 1.04 -1.26 -4.91 113.70 106.18 2cre s SER 66 Ca 0.52 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2cre s SER 66 Cb -0.11 1.50 0.00 0.00 0.10 0.00 0.00 66.02 67.51 2cre s SER 66 CO 0.49 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2cre n GLY 67 N 4.66 0.37 3.69 7.32 0.00 -1.26 -5.10 105.19 114.87 2cre n GLY 67 Ca -0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2cre n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cre s PRO 68 N 0.00 4.28 0.13 1.61 0.04 -1.26 -4.94 135.00 134.86 2cre s PRO 68 Ca 0.00 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2cre s PRO 68 Cb 0.00 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.95 2cre s PRO 68 CO 0.00 -0.57 1.58 1.03 0.04 0.00 0.00 177.00 179.08 2cre h SER 69 N 7.71 -1.33 -3.49 6.66 0.87 -2.04 -3.39 113.55 118.54 2cre h SER 69 Ca -0.39 0.17 -0.52 0.00 -1.23 0.00 0.00 61.79 59.81 2cre h SER 69 Cb 1.19 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 2cre h SER 69 CO 0.90 -0.45 0.40 -0.94 -0.53 0.00 0.00 176.83 176.21 2cre s SER 70 N -4.83 7.38 0.00 6.23 1.04 -1.26 -5.16 113.70 117.10 2cre s SER 70 Ca -0.16 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.18 2cre s SER 70 Cb 0.09 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 64.05 2cre s SER 70 CO 0.64 -0.18 0.89 0.61 0.98 0.00 0.00 173.24 176.17