#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cre s SER 2 N 0.00 0.45 -0.20 1.61 0.01 -1.26 -5.06 113.70 109.25 2cre s SER 2 Ca 0.00 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 56.82 2cre s SER 2 Cb 0.00 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.17 2cre s SER 2 CO 0.00 -0.15 -0.25 -1.54 0.41 0.00 0.00 173.24 171.71 2cre n SER 3 N 2.08 1.55 -3.77 2.44 3.41 -1.26 -4.73 113.62 113.35 2cre n SER 3 Ca -0.19 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2cre n SER 3 Cb 0.56 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2cre n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cre n GLY 4 N 1.82 4.60 2.07 5.00 0.00 -1.26 -4.77 105.19 112.65 2cre n GLY 4 Ca -0.39 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 2cre n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cre n SER 5 N 4.86 6.15 -4.83 1.61 2.88 -1.26 -4.92 113.62 118.12 2cre n SER 5 Ca 0.48 -2.95 -0.38 0.00 -1.33 0.00 0.00 58.87 54.69 2cre n SER 5 Cb 0.37 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 2cre n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cre s SER 6 N 0.73 6.73 -0.36 -3.46 0.01 -1.26 -5.07 113.70 111.01 2cre s SER 6 Ca 0.43 0.86 -0.07 0.00 1.31 0.00 0.00 55.95 58.48 2cre s SER 6 Cb 0.28 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 64.33 2cre s SER 6 CO -0.08 0.30 0.14 -0.83 0.41 0.00 0.00 173.24 173.18 2cre s GLY 7 N -0.85 1.88 0.74 3.44 0.00 -1.26 -4.61 107.32 106.66 2cre s GLY 7 Ca 0.22 -1.89 -0.07 0.00 0.00 0.00 0.00 44.72 42.99 2cre s GLY 7 CO 0.11 0.83 1.05 1.08 0.00 0.00 0.00 173.10 176.18 2cre s LEU 8 N 1.39 2.85 -0.07 0.66 2.01 -0.61 -4.88 118.68 120.03 2cre s LEU 8 Ca 0.00 0.26 0.00 0.00 0.01 0.00 0.00 54.13 54.40 2cre s LEU 8 Cb -0.20 -2.76 0.02 0.00 0.01 0.00 0.00 46.19 43.26 2cre s LEU 8 CO 0.02 -1.81 -0.06 -0.76 1.01 0.00 0.00 176.35 174.75 2cre s LEU 9 N -5.31 1.20 0.16 1.79 1.43 -1.26 -0.91 118.68 115.77 2cre s LEU 9 Ca 0.63 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2cre s LEU 9 Cb -0.09 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2cre s LEU 9 CO 0.46 -0.08 -0.13 0.00 0.23 0.00 0.00 176.35 176.82 2cre s ALA 10 N 1.31 1.66 0.31 4.21 0.00 -1.07 -3.44 121.76 124.75 2cre s ALA 10 Ca -0.04 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.50 2cre s ALA 10 Cb -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2cre s ALA 10 CO -0.03 0.03 0.38 0.50 0.00 0.00 0.00 175.76 176.65 2cre s ARG 11 N -3.34 3.05 -0.42 0.00 3.52 -0.53 -1.93 118.95 119.30 2cre s ARG 11 Ca 0.16 -1.05 -0.04 0.00 -0.13 0.00 0.00 55.73 54.67 2cre s ARG 11 Cb -0.01 -2.72 0.11 0.00 -1.56 0.00 0.00 34.95 30.77 2cre s ARG 11 CO 0.04 0.16 0.23 0.00 -0.81 0.00 0.00 175.30 174.91 2cre s ALA 12 N -2.17 3.20 0.39 6.12 0.00 -1.03 -0.86 121.76 127.42 2cre s ALA 12 Ca 0.41 -2.54 0.12 0.00 0.00 0.00 0.00 51.96 49.95 2cre s ALA 12 Cb -0.08 -2.49 0.80 0.00 0.00 0.00 0.00 23.12 21.35 2cre s ALA 12 CO 0.29 -1.82 1.89 -0.07 0.00 0.00 0.00 175.76 176.04 2cre h LEU 13 N 8.12 0.06 -7.65 0.00 3.38 -1.79 -1.53 115.31 115.90 2cre h LEU 13 Ca -0.14 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 2cre h LEU 13 Cb 1.05 -0.02 -0.25 0.00 0.09 0.00 0.00 40.66 41.54 2cre h LEU 13 CO 0.73 0.33 -0.55 -0.31 0.09 0.00 0.00 178.44 178.73 2cre s TYR 14 N -4.43 -0.08 0.97 1.13 2.02 -1.26 -4.78 117.35 110.92 2cre s TYR 14 Ca -0.04 0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.75 2cre s TYR 14 Cb 0.15 0.02 0.17 0.00 -0.40 0.00 0.00 41.96 41.90 2cre s TYR 14 CO 0.72 -0.12 1.10 0.16 -1.57 0.00 0.00 175.55 175.84 2cre s ASP 15 N -0.33 2.61 -0.00 2.29 1.47 -1.26 -4.58 116.67 116.87 2cre s ASP 15 Ca -0.04 1.88 0.04 0.00 1.18 0.00 0.00 52.55 55.61 2cre s ASP 15 Cb -0.03 -2.44 -0.01 0.00 -0.34 0.00 0.00 42.92 40.10 2cre s ASP 15 CO 0.00 -3.24 -0.12 0.21 0.68 0.00 0.00 175.17 172.70 2cre s ASN 16 N -2.80 1.35 -0.62 2.11 2.47 0.67 -4.93 114.94 113.21 2cre s ASN 16 Ca 0.66 -0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.74 2cre s ASN 16 Cb -0.22 -0.14 0.15 0.00 -1.45 0.00 0.00 41.25 39.60 2cre s ASN 16 CO 0.59 0.11 0.39 0.00 -3.72 0.00 0.00 177.10 174.48 2cre s PRO 18 N -0.90 0.10 0.00 0.00 0.04 -1.26 -5.01 135.00 127.96 2cre s PRO 18 Ca 0.22 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2cre s PRO 18 Cb -0.13 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2cre s PRO 18 CO -0.10 -2.93 0.00 -0.40 0.04 0.00 0.00 177.00 173.61 2cre n ASP 19 N -4.29 3.89 -4.23 6.66 5.75 -1.26 -5.05 116.55 118.01 2cre n ASP 19 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.58 2cre n ASP 19 Cb 0.58 0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 41.23 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cre h SER 21 N 5.14 0.27 -0.96 0.00 0.87 -2.00 -0.44 113.55 116.43 2cre h SER 21 Ca -0.41 0.19 0.15 0.00 -1.23 0.00 0.00 61.79 60.50 2cre h SER 21 Cb 1.15 0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 63.16 2cre h SER 21 CO 0.45 -0.15 -0.37 -0.90 -0.53 0.00 0.00 176.83 175.34 2cre n ASP 22 N -5.14 -0.61 -3.43 6.23 5.68 -1.26 -4.47 116.55 113.55 2cre n ASP 22 Ca 0.27 1.67 -0.27 0.00 -0.50 0.00 0.00 54.79 55.97 2cre n ASP 22 Cb 0.84 -0.39 0.22 0.00 -1.14 0.00 0.00 41.12 40.65 2cre n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2cre n GLU 23 N -5.42 -2.92 -4.37 0.11 4.71 -0.18 0.09 120.64 112.66 2cre n GLU 23 Ca 0.10 -1.55 -0.26 0.00 -0.01 0.00 0.00 57.16 55.44 2cre n GLU 23 Cb 0.39 -1.46 -0.12 0.00 -1.01 0.00 0.00 31.44 29.24 2cre n GLU 23 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2cre s LEU 24 N 0.00 2.38 -0.30 -4.62 0.20 0.41 -3.64 118.68 113.11 2cre s LEU 24 Ca 0.63 -0.80 0.03 0.00 0.69 0.00 0.00 54.13 54.68 2cre s LEU 24 Cb -0.06 -1.04 0.08 0.00 -0.43 0.00 0.00 46.19 44.74 2cre s LEU 24 CO 0.48 0.09 -0.01 0.00 -0.29 0.00 0.00 176.35 176.62 2cre s ALA 25 N -1.51 2.66 0.20 5.97 0.00 -1.26 -4.28 121.76 123.54 2cre s ALA 25 Ca 0.15 -2.14 0.03 0.00 0.00 0.00 0.00 51.96 50.00 2cre s ALA 25 Cb -0.08 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 2cre s ALA 25 CO 0.07 -1.47 -0.02 -0.59 0.00 0.00 0.00 175.76 173.75 2cre s PHE 26 N 1.04 1.43 0.50 0.00 -0.12 -1.25 -4.99 117.98 114.58 2cre s PHE 26 Ca 0.02 -0.93 0.05 0.00 -0.05 0.00 0.00 56.93 56.03 2cre s PHE 26 Cb -0.19 -0.81 0.00 0.00 -0.63 0.00 0.00 43.02 41.39 2cre s PHE 26 CO -0.07 -0.07 0.28 -1.12 -0.05 0.00 0.00 175.22 174.19 2cre s SER 27 N -3.25 4.53 0.21 1.98 0.01 -1.26 -0.23 113.70 115.68 2cre s SER 27 Ca 0.26 -1.24 -0.30 0.00 1.31 0.00 0.00 55.95 55.97 2cre s SER 27 Cb 0.05 0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 2cre s SER 27 CO 0.06 -0.90 1.18 -0.60 0.41 0.00 0.00 173.24 173.39 2cre s ARG 28 N -4.11 4.52 0.00 12.44 3.00 -1.26 -3.53 118.95 130.00 2cre s ARG 28 Ca 0.32 1.87 0.00 0.00 -1.00 0.00 0.00 55.73 56.92 2cre s ARG 28 Cb -0.00 -3.22 0.00 0.00 0.00 0.00 0.00 34.95 31.72 2cre s ARG 28 CO 0.19 -0.03 0.00 0.41 0.00 0.00 0.00 175.30 175.87 2cre n GLY 29 N 1.93 0.81 3.27 8.12 0.00 -0.57 -4.96 105.19 113.78 2cre n GLY 29 Ca 0.03 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.78 2.61 -0.34 1.61 1.01 -1.23 -4.97 116.67 112.57 2cre s ASP 30 Ca 0.00 -0.56 -0.15 0.00 0.71 0.00 0.00 52.55 52.55 2cre s ASP 30 Cb 0.00 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.71 2cre s ASP 30 CO 0.00 0.16 0.35 -0.63 0.21 0.00 0.00 175.17 175.26 2cre s ILE 31 N -0.86 5.18 -0.16 0.77 -1.09 -1.26 -2.45 121.20 121.33 2cre s ILE 31 Ca 0.08 0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 2cre s ILE 31 Cb -0.09 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2cre s ILE 31 CO 0.02 -0.06 0.10 -0.76 -1.23 0.00 0.00 174.94 173.01 2cre s LEU 32 N 1.99 4.07 -0.71 2.97 2.01 -0.81 -4.99 118.68 123.20 2cre s LEU 32 Ca 0.11 0.25 -0.23 0.00 0.01 0.00 0.00 54.13 54.27 2cre s LEU 32 Cb -0.17 -2.01 0.07 0.00 0.01 0.00 0.00 46.19 44.09 2cre s LEU 32 CO 0.11 0.27 1.05 -0.89 1.01 0.00 0.00 176.35 177.91 2cre s THR 33 N -0.20 4.24 -0.64 5.49 2.01 -1.25 -2.59 115.64 122.70 2cre s THR 33 Ca 0.09 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 2cre s THR 33 Cb -0.12 -4.75 -0.05 0.00 0.01 0.00 0.00 72.50 67.59 2cre s THR 33 CO 0.01 -1.55 2.09 -0.63 -0.69 0.00 0.00 174.62 173.85 2cre s ILE 34 N 4.26 3.23 0.05 1.82 1.01 -0.09 -2.42 121.20 129.06 2cre s ILE 34 Ca 0.26 0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 2cre s ILE 34 Cb -0.14 -3.59 -0.17 0.00 0.01 0.00 0.00 42.46 38.58 2cre s ILE 34 CO 0.08 -0.56 1.52 -0.07 0.00 0.00 0.00 174.94 175.90 2cre h LEU 35 N 18.22 -0.24 -7.73 2.97 3.38 -0.85 -1.61 115.31 129.45 2cre h LEU 35 Ca -0.17 -0.11 -0.26 0.00 0.09 0.00 0.00 57.88 57.42 2cre h LEU 35 Cb 1.15 0.06 -0.29 0.00 0.09 0.00 0.00 40.66 41.68 2cre h LEU 35 CO 1.18 -0.03 -0.73 -1.83 0.09 0.00 0.00 178.44 177.12 2cre s GLU 36 N -5.48 0.09 -0.09 1.13 -1.05 -1.21 -4.49 118.70 107.61 2cre s GLU 36 Ca -0.15 -0.01 -0.04 0.00 -0.15 0.00 0.00 54.97 54.63 2cre s GLU 36 Cb 0.04 -0.12 -0.26 0.00 -0.44 0.00 0.00 34.13 33.34 2cre s GLU 36 CO 0.62 -0.01 0.48 1.96 0.95 0.00 0.00 175.26 179.27 2cre h GLN 37 N 6.31 0.24 -6.46 -4.83 4.20 -1.89 -3.18 115.11 109.50 2cre h GLN 37 Ca -0.28 -0.41 -0.55 0.00 0.06 0.00 0.00 58.65 57.47 2cre h GLN 37 Cb 1.19 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 29.06 2cre h GLN 37 CO 0.50 1.11 1.06 -1.58 -0.67 0.00 0.00 178.83 179.26 2cre s HIS 38 N -2.57 2.38 -0.42 2.96 2.46 -1.26 -4.86 115.29 113.98 2cre s HIS 38 Ca -0.18 0.46 0.02 0.00 0.47 0.00 0.00 55.06 55.83 2cre s HIS 38 Cb 0.07 -4.43 0.13 0.00 -0.13 0.00 0.00 32.58 28.22 2cre s HIS 38 CO 0.79 -1.87 0.21 0.08 -2.47 0.00 0.00 174.74 171.48 2cre s VAL 39 N 5.72 1.39 0.24 0.89 1.01 -1.26 -4.96 120.40 123.43 2cre s VAL 39 Ca 0.50 -2.38 0.21 0.00 0.00 0.00 0.00 61.98 60.32 2cre s VAL 39 Cb -0.10 -1.99 0.19 0.00 0.00 0.00 0.00 36.38 34.48 2cre s VAL 39 CO 0.25 -0.84 1.85 1.55 0.00 0.00 0.00 175.10 177.91 2cre h PRO 40 N 6.99 0.00 0.00 2.72 0.13 -1.96 -2.73 132.00 137.15 2cre h PRO 40 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2cre h PRO 40 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2cre h PRO 40 CO 0.49 0.28 0.00 0.93 -0.23 0.00 0.00 178.00 179.47 2cre h GLU 41 N 0.00 0.00 -2.79 0.86 5.08 -2.00 -3.41 114.58 112.32 2cre h GLU 41 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2cre h GLU 41 Cb 0.70 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.64 2cre h GLU 41 CO 0.04 0.00 -0.49 -1.12 -1.00 0.00 0.00 179.01 176.44 2cre s SER 42 N -5.25 0.18 -0.74 1.42 0.01 -1.03 -5.11 113.70 103.18 2cre s SER 42 Ca -0.01 0.68 -0.25 0.00 1.31 0.00 0.00 55.95 57.68 2cre s SER 42 Cb 0.10 0.83 0.05 0.00 0.21 0.00 0.00 66.02 67.20 2cre s SER 42 CO 0.46 -0.23 1.19 -0.70 0.41 0.00 0.00 173.24 174.37 2cre s GLU 43 N 2.38 3.20 0.00 12.44 2.12 -1.26 -3.66 118.70 133.93 2cre s GLU 43 Ca -0.00 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2cre s GLU 43 Cb -0.12 -4.29 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2cre s GLU 43 CO -0.09 -2.04 0.00 0.41 -0.54 0.00 0.00 175.26 173.00 2cre n GLY 44 N 5.47 1.00 3.10 -1.50 0.00 -1.26 -5.11 105.19 106.88 2cre n GLY 44 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.99 0.39 -0.02 1.61 0.52 -1.24 -3.42 118.94 114.79 2cre s TRP 45 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.29 2cre s TRP 45 Cb 0.00 -0.28 0.00 0.00 -1.15 0.00 0.00 33.47 32.04 2cre s TRP 45 CO 0.00 -0.38 -0.10 -1.58 0.02 0.00 0.00 176.95 174.91 2cre s TRP 46 N -3.45 1.01 -0.70 -1.98 0.51 0.19 -4.63 118.94 109.89 2cre s TRP 46 Ca 0.02 -0.24 -0.22 0.00 -2.12 0.00 0.00 56.10 53.54 2cre s TRP 46 Cb 0.04 -0.70 0.08 0.00 -0.81 0.00 0.00 33.47 32.08 2cre s TRP 46 CO -0.08 -0.09 0.99 0.21 -0.51 0.00 0.00 176.95 177.47 2cre s LYS 47 N 0.08 3.17 0.45 4.98 2.47 -1.20 0.11 119.74 129.81 2cre s LYS 47 Ca -0.02 -0.95 0.07 0.00 -1.56 0.00 0.00 55.97 53.52 2cre s LYS 47 Cb -0.08 -4.33 -0.01 0.00 -1.46 0.00 0.00 37.83 31.95 2cre s LYS 47 CO 0.00 -1.82 0.37 0.00 0.16 0.00 0.00 175.35 174.07 2cre s LEU 49 N -4.15 1.48 -0.12 0.00 1.98 -1.01 -2.64 118.68 114.22 2cre s LEU 49 Ca 0.44 -0.30 -0.06 0.00 -2.89 0.00 0.00 54.13 51.32 2cre s LEU 49 Cb -0.02 -0.83 0.05 0.00 0.66 0.00 0.00 46.19 46.05 2cre s LEU 49 CO 0.26 -0.02 0.28 -0.22 -1.89 0.00 0.00 176.35 174.75 2cre s LEU 50 N 1.05 0.30 -1.44 -0.68 2.96 -1.26 -3.80 118.68 115.82 2cre s LEU 50 Ca -0.07 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2cre s LEU 50 Cb -0.15 0.85 0.03 0.00 0.50 0.00 0.00 46.19 47.42 2cre s LEU 50 CO -0.01 -0.17 0.09 1.41 -1.32 0.00 0.00 176.35 176.35 2cre n HIS 51 N 4.26 -1.11 -3.37 5.38 8.25 -1.26 0.56 115.22 127.92 2cre n HIS 51 Ca -0.25 0.56 -0.17 0.00 -0.26 0.00 0.00 57.72 57.60 2cre n HIS 51 Cb 0.53 -2.37 0.08 0.00 1.12 0.00 0.00 29.99 29.36 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 -2.19 -0.33 0.08 -1.41 0.00 -1.26 -4.97 105.19 95.11 2cre n GLY 52 Ca -0.23 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.07 0.49 -3.38 1.61 5.12 0.19 -5.03 116.66 111.59 2cre n ARG 53 Ca -0.22 0.30 -0.17 0.00 -1.93 0.00 0.00 57.85 55.84 2cre n ARG 53 Cb 0.64 -1.48 0.08 0.00 -1.16 0.00 0.00 32.46 30.54 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 -4.44 -4.83 -4.55 5.56 6.02 -1.24 -4.93 117.38 108.98 2cre n GLN 54 Ca -0.11 0.84 -0.26 0.00 -0.01 0.00 0.00 57.00 57.46 2cre n GLN 54 Cb 0.42 -5.80 -0.09 0.00 1.02 0.00 0.00 30.24 25.79 2cre n GLN 54 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2cre s GLY 55 N -3.98 2.52 0.61 1.08 0.00 -1.08 -4.90 107.32 101.57 2cre s GLY 55 Ca 0.18 -1.39 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 2cre s GLY 55 CO 0.74 -1.91 0.99 1.08 0.00 0.00 0.00 173.10 174.00 2cre s LEU 56 N -3.63 3.24 -0.04 0.66 1.43 0.11 -1.79 118.68 118.66 2cre s LEU 56 Ca 0.25 1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2cre s LEU 56 Cb 0.05 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 42.09 2cre s LEU 56 CO 0.13 -0.93 0.15 0.00 0.23 0.00 0.00 176.35 175.93 2cre s ALA 57 N -3.12 -0.36 -0.49 4.21 0.00 0.31 0.16 121.76 122.46 2cre s ALA 57 Ca 0.54 0.26 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 2cre s ALA 57 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2cre s ALA 57 CO 0.51 -0.12 1.79 -1.25 0.00 0.00 0.00 175.76 176.69 2cre s PRO 58 N -0.37 2.99 0.53 0.00 0.04 -1.26 0.55 135.00 137.47 2cre s PRO 58 Ca -0.05 0.94 0.32 0.00 0.04 0.00 0.00 61.00 62.25 2cre s PRO 58 Cb -0.03 -4.28 1.74 0.00 0.04 0.00 0.00 34.50 31.97 2cre s PRO 58 CO 0.01 -2.29 1.97 0.00 0.04 0.00 0.00 177.00 176.73 2cre h ALA 59 N 13.72 1.09 0.00 8.56 0.00 -1.88 0.18 119.26 140.94 2cre h ALA 59 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2cre h ALA 59 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2cre h ALA 59 CO 1.14 -0.09 0.00 -0.97 0.00 0.00 0.00 179.25 179.33 2cre h ASN 60 N 0.00 0.00 -0.21 0.00 -1.24 -1.88 -2.89 115.58 109.36 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 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2cre h ASN 60 CO 0.00 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.68 2cre n ARG 61 N -2.84 1.96 -4.02 6.67 1.74 0.63 -5.00 116.66 115.80 2cre n ARG 61 Ca 0.02 -1.68 -0.24 0.00 -0.77 0.00 0.00 57.85 55.18 2cre n ARG 61 Cb 0.37 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 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 -0.95 4.09 -0.32 0.55 2.01 -1.09 -2.28 118.68 120.69 2cre s LEU 62 Ca 0.18 -0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.33 2cre s LEU 62 Cb 0.10 -2.66 0.10 0.00 0.01 0.00 0.00 46.19 43.74 2cre s LEU 62 CO 0.14 0.01 0.07 -1.58 1.01 0.00 0.00 176.35 176.00 2cre s GLN 63 N -3.51 1.14 -0.33 1.70 0.74 -0.04 -4.90 119.66 114.47 2cre s GLN 63 Ca 0.33 -1.49 -0.28 0.00 0.05 0.00 0.00 55.36 53.96 2cre s GLN 63 Cb -0.10 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 2cre s GLN 63 CO 0.27 -0.95 1.85 0.42 -0.55 0.00 0.00 175.29 176.33 2cre s ILE 64 N 1.23 3.42 0.87 -2.34 -1.09 -1.26 -1.46 121.20 120.57 2cre s ILE 64 Ca 0.10 0.42 -0.10 0.00 -2.23 0.00 0.00 60.65 58.84 2cre s ILE 64 Cb -0.18 -3.58 0.17 0.00 -1.58 0.00 0.00 42.46 37.29 2cre s ILE 64 CO -0.16 -0.38 1.20 -0.76 -1.23 0.00 0.00 174.94 173.61 2cre s LEU 65 N 7.16 2.82 -0.02 2.97 1.43 -1.22 -5.01 118.68 126.81 2cre s LEU 65 Ca 0.82 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2cre s LEU 65 Cb -0.23 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 2cre s LEU 65 CO 0.33 -2.40 -0.08 -0.94 0.23 0.00 0.00 176.35 173.50 2cre s SER 66 N -4.84 0.98 -0.39 2.29 1.04 -1.26 -4.94 113.70 106.58 2cre s SER 66 Ca 0.71 -0.15 0.09 0.00 0.48 0.00 0.00 55.95 57.08 2cre s SER 66 Cb -0.04 -0.20 0.29 0.00 0.10 0.00 0.00 66.02 66.17 2cre s SER 66 CO 0.50 0.07 0.65 0.61 0.98 0.00 0.00 173.24 176.05 2cre n GLY 67 N 3.14 2.78 0.00 7.32 0.00 -1.26 -4.93 105.19 112.23 2cre n GLY 67 Ca -0.16 -1.40 0.08 0.00 0.00 0.00 0.00 46.02 44.54 2cre n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cre n PRO 68 N 0.99 0.43 -1.31 1.61 -0.04 -1.26 -4.88 135.00 130.53 2cre n PRO 68 Ca 0.21 0.03 -0.47 0.00 -0.04 0.00 0.00 63.50 63.23 2cre n PRO 68 Cb 0.59 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2cre n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cre n SER 69 N -1.06 -0.82 -4.16 3.54 7.64 -1.26 -4.84 113.62 112.65 2cre n SER 69 Ca 0.11 1.05 -0.35 0.00 1.01 0.00 0.00 58.87 60.69 2cre n SER 69 Cb 0.07 -0.87 0.12 0.00 -1.01 0.00 0.00 64.21 62.52 2cre n SER 69 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cre n SER 70 N 1.71 -2.62 0.00 6.43 7.64 -1.26 -5.30 113.62 120.21 2cre n SER 70 Ca 0.17 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2cre n SER 70 Cb 0.19 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2cre n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64