#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 7.13 -0.07 1.61 0.15 -1.26 -5.02 113.70 116.25 2cre s SER 2 Ca 0.00 1.38 -0.30 0.00 0.70 0.00 0.00 55.95 57.74 2cre s SER 2 Cb 0.00 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2cre s SER 2 CO 0.00 -0.32 1.11 -0.94 1.20 0.00 0.00 173.24 174.29 2cre s SER 3 N 1.03 7.15 0.00 5.45 1.04 -1.26 -4.95 113.70 122.16 2cre s SER 3 Ca 0.44 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2cre s SER 3 Cb -0.18 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2cre s SER 3 CO 0.19 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2cre n GLY 4 N 3.23 3.83 2.76 7.32 0.00 -1.26 -5.11 105.19 115.97 2cre n GLY 4 Ca 0.10 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2cre n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cre s SER 5 N 1.84 3.85 0.46 1.61 0.15 -1.26 -5.10 113.70 115.24 2cre s SER 5 Ca 0.00 -3.42 -0.17 0.00 0.70 0.00 0.00 55.95 53.07 2cre s SER 5 Cb 0.00 -1.28 -0.09 0.00 -1.71 0.00 0.00 66.02 62.94 2cre s SER 5 CO 0.00 -0.14 0.92 -0.55 1.20 0.00 0.00 173.24 174.66 2cre s SER 6 N -0.74 6.71 -0.05 5.45 0.15 -1.26 -5.04 113.70 118.93 2cre s SER 6 Ca 0.25 1.51 -0.24 0.00 0.70 0.00 0.00 55.95 58.17 2cre s SER 6 Cb -0.08 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2cre s SER 6 CO -0.13 -0.46 0.72 -0.83 1.20 0.00 0.00 173.24 173.75 2cre s GLY 7 N -2.75 2.66 0.62 9.45 0.00 -1.26 -4.90 107.32 111.14 2cre s GLY 7 Ca 0.58 0.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 2cre s GLY 7 CO 0.25 1.20 0.89 1.08 0.00 0.00 0.00 173.10 176.51 2cre s LEU 8 N 0.71 3.07 -0.12 0.66 2.01 -0.97 -4.90 118.68 119.14 2cre s LEU 8 Ca 0.39 0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.68 2cre s LEU 8 Cb -0.18 -2.90 0.02 0.00 0.01 0.00 0.00 46.19 43.14 2cre s LEU 8 CO 0.19 -1.38 -0.14 -0.76 1.01 0.00 0.00 176.35 175.27 2cre s LEU 9 N -4.98 1.64 0.01 1.79 1.43 -1.26 -1.30 118.68 116.01 2cre s LEU 9 Ca 0.59 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2cre s LEU 9 Cb -0.10 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2cre s LEU 9 CO 0.41 -0.02 -0.08 0.00 0.23 0.00 0.00 176.35 176.89 2cre s ALA 10 N 1.21 0.67 0.52 4.21 0.00 -0.95 -3.40 121.76 124.03 2cre s ALA 10 Ca -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2cre s ALA 10 Cb -0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2cre s ALA 10 CO -0.05 0.12 0.79 0.50 0.00 0.00 0.00 175.76 177.13 2cre s ARG 11 N -0.58 3.06 -0.42 0.00 3.52 -0.63 -0.27 118.95 123.63 2cre s ARG 11 Ca 0.00 -0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 55.40 2cre s ARG 11 Cb -0.05 -2.40 0.11 0.00 -1.56 0.00 0.00 34.95 31.05 2cre s ARG 11 CO 0.00 -0.46 0.23 0.00 -0.81 0.00 0.00 175.30 174.26 2cre s ALA 12 N -2.78 3.20 0.36 6.12 0.00 -1.08 -0.42 121.76 127.16 2cre s ALA 12 Ca 0.51 -2.54 0.10 0.00 0.00 0.00 0.00 51.96 50.03 2cre s ALA 12 Cb -0.10 -2.49 0.69 0.00 0.00 0.00 0.00 23.12 21.21 2cre s ALA 12 CO 0.42 -1.82 1.83 -0.07 0.00 0.00 0.00 175.76 176.12 2cre h LEU 13 N 8.12 0.15 -8.13 0.00 3.38 -1.80 -1.92 115.31 115.12 2cre h LEU 13 Ca -0.14 -0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.48 2cre h LEU 13 Cb 1.05 -0.04 -0.23 0.00 0.09 0.00 0.00 40.66 41.53 2cre h LEU 13 CO 0.73 0.44 -0.74 -0.31 0.09 0.00 0.00 178.44 178.64 2cre s TYR 14 N -4.39 0.67 0.29 1.13 1.51 -1.25 -4.79 117.35 110.52 2cre s TYR 14 Ca -0.04 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 2cre s TYR 14 Cb 0.15 -0.41 -0.09 0.00 -0.11 0.00 0.00 41.96 41.50 2cre s TYR 14 CO 0.74 -0.06 0.99 0.16 -1.11 0.00 0.00 175.55 176.27 2cre s ASP 15 N -1.26 7.39 -0.15 2.29 -4.77 -1.26 -4.53 116.67 114.38 2cre s ASP 15 Ca -0.07 2.01 -0.05 0.00 -3.30 0.00 0.00 52.55 51.15 2cre s ASP 15 Cb -0.08 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.11 2cre s ASP 15 CO 0.00 -0.04 0.00 0.21 0.70 0.00 0.00 175.17 176.05 2cre s ASN 16 N -1.24 5.17 -0.92 2.11 2.47 -0.42 -4.94 114.94 117.16 2cre s ASN 16 Ca 0.46 -0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.70 2cre s ASN 16 Cb -0.25 -1.79 0.23 0.00 -1.45 0.00 0.00 41.25 37.98 2cre s ASN 16 CO 0.32 0.21 0.82 0.00 -3.72 0.00 0.00 177.10 174.73 2cre s PRO 18 N -1.27 2.26 -0.03 0.00 0.04 -1.26 -4.99 135.00 129.75 2cre s PRO 18 Ca 0.27 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.53 2cre s PRO 18 Cb -0.08 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.63 2cre s PRO 18 CO -0.11 -1.64 0.99 -0.40 0.04 0.00 0.00 177.00 175.87 2cre n ASP 19 N -3.51 1.81 -3.82 6.66 5.75 -1.26 -5.02 116.55 117.16 2cre n ASP 19 Ca 0.09 -2.16 -0.10 0.00 -0.01 0.00 0.00 54.79 52.61 2cre n ASP 19 Cb 0.53 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 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 2.35 0.78 -0.48 0.00 0.87 -2.01 -3.21 113.55 111.85 2cre h SER 21 Ca -0.30 -0.28 0.07 0.00 -1.23 0.00 0.00 61.79 60.05 2cre h SER 21 Cb 1.25 -0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.90 2cre h SER 21 CO 0.42 0.98 -0.45 0.44 -0.53 0.00 0.00 176.83 177.69 2cre h ASP 22 N 0.68 -1.52 -3.48 6.23 3.32 -1.97 -3.42 116.42 116.26 2cre h ASP 22 Ca 0.10 0.23 -0.41 0.00 0.02 0.00 0.00 57.03 56.96 2cre h ASP 22 Cb 0.72 0.67 0.19 0.00 0.22 0.00 0.00 39.33 41.13 2cre h ASP 22 CO 0.06 -0.36 0.12 -1.61 -1.72 0.00 0.00 179.24 175.72 2cre s GLU 23 N -5.82 -1.29 0.01 3.56 2.02 -1.21 -1.02 118.70 114.95 2cre s GLU 23 Ca -0.14 -0.03 0.08 0.00 0.02 0.00 0.00 54.97 54.90 2cre s GLU 23 Cb 0.12 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 2cre s GLU 23 CO 0.65 -3.77 -0.25 -1.17 0.02 0.00 0.00 175.26 170.74 2cre s LEU 24 N -6.99 2.10 -0.42 1.80 0.20 0.13 -4.10 118.68 111.40 2cre s LEU 24 Ca 0.71 -0.51 -0.07 0.00 0.69 0.00 0.00 54.13 54.94 2cre s LEU 24 Cb -0.10 -1.28 0.10 0.00 -0.43 0.00 0.00 46.19 44.47 2cre s LEU 24 CO 0.56 0.28 0.24 0.00 -0.29 0.00 0.00 176.35 177.15 2cre s ALA 25 N -0.69 3.24 0.23 5.97 0.00 -1.26 -4.45 121.76 124.79 2cre s ALA 25 Ca 0.10 -2.33 0.07 0.00 0.00 0.00 0.00 51.96 49.80 2cre s ALA 25 Cb -0.10 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2cre s ALA 25 CO 0.00 -1.73 -0.11 -0.59 0.00 0.00 0.00 175.76 173.33 2cre s PHE 26 N 1.31 1.77 0.25 0.00 -0.12 -1.24 -4.99 117.98 114.96 2cre s PHE 26 Ca 0.05 -0.63 0.10 0.00 -0.05 0.00 0.00 56.93 56.40 2cre s PHE 26 Cb -0.23 -0.90 -0.05 0.00 -0.63 0.00 0.00 43.02 41.21 2cre s PHE 26 CO -0.01 0.31 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.84 2cre s SER 27 N -3.35 4.15 0.26 1.98 1.04 -1.26 -1.30 113.70 115.21 2cre s SER 27 Ca 0.25 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 2cre s SER 27 Cb 0.01 -0.63 -0.14 0.00 0.10 0.00 0.00 66.02 65.36 2cre s SER 27 CO 0.08 0.04 1.17 -1.14 0.98 0.00 0.00 173.24 174.37 2cre n ARG 28 N -0.60 1.55 -1.38 4.02 0.00 -1.26 -2.38 116.66 116.60 2cre n ARG 28 Ca -0.07 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 2cre n ARG 28 Cb 0.59 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 31.01 2cre n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cre n GLY 29 N 1.56 0.60 3.09 5.14 0.00 -0.72 -4.99 105.19 109.88 2cre n GLY 29 Ca 0.11 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.83 3.55 -0.40 1.61 1.11 -1.00 -4.94 116.67 113.77 2cre s ASP 30 Ca 0.00 -0.90 -0.29 0.00 0.18 0.00 0.00 52.55 51.54 2cre s ASP 30 Cb 0.00 -1.48 0.01 0.00 1.07 0.00 0.00 42.92 42.53 2cre s ASP 30 CO 0.00 -0.07 1.30 -0.63 1.18 0.00 0.00 175.17 176.95 2cre s ILE 31 N 1.24 4.07 -0.15 0.77 1.09 -1.26 -2.63 121.20 124.33 2cre s ILE 31 Ca 0.00 1.13 -0.17 0.00 -1.10 0.00 0.00 60.65 60.51 2cre s ILE 31 Cb -0.15 -4.30 -0.04 0.00 -1.06 0.00 0.00 42.46 36.90 2cre s ILE 31 CO -0.10 -0.74 0.43 -0.76 -0.10 0.00 0.00 174.94 173.68 2cre s LEU 32 N 4.83 4.23 -0.71 2.97 2.01 0.63 -4.92 118.68 127.72 2cre s LEU 32 Ca 0.56 0.68 -0.25 0.00 0.01 0.00 0.00 54.13 55.13 2cre s LEU 32 Cb -0.13 -2.60 0.05 0.00 0.01 0.00 0.00 46.19 43.52 2cre s LEU 32 CO 0.29 -0.02 1.15 -0.89 1.01 0.00 0.00 176.35 177.89 2cre s THR 33 N 0.84 3.99 -0.73 5.49 2.01 -1.25 -2.23 115.64 123.75 2cre s THR 33 Ca 0.23 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 2cre s THR 33 Cb -0.15 -4.82 -0.11 0.00 0.01 0.00 0.00 72.50 67.43 2cre s THR 33 CO 0.08 -1.69 2.35 -0.63 -0.69 0.00 0.00 174.62 174.04 2cre s ILE 34 N 4.98 3.06 0.14 1.82 1.01 -0.42 -2.21 121.20 129.59 2cre s ILE 34 Ca 0.30 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 2cre s ILE 34 Cb -0.12 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.23 2cre s ILE 34 CO 0.12 -0.14 1.68 -0.07 0.00 0.00 0.00 174.94 176.53 2cre h LEU 35 N 21.29 -0.36 -7.05 2.97 3.38 0.17 -2.57 115.31 133.14 2cre h LEU 35 Ca -0.05 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2cre h LEU 35 Cb 1.06 0.21 -0.29 0.00 0.09 0.00 0.00 40.66 41.73 2cre h LEU 35 CO 1.07 -0.14 -0.44 -1.83 0.09 0.00 0.00 178.44 177.19 2cre s GLU 36 N -6.19 0.27 0.13 1.13 -1.05 -1.16 -4.56 118.70 107.27 2cre s GLU 36 Ca -0.14 0.87 -0.12 0.00 -0.15 0.00 0.00 54.97 55.43 2cre s GLU 36 Cb 0.12 0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 2cre s GLU 36 CO 0.69 -0.32 1.47 1.96 0.95 0.00 0.00 175.26 180.01 2cre h GLN 37 N 8.21 0.86 -6.00 -4.83 4.20 -1.89 -3.27 115.11 112.40 2cre h GLN 37 Ca -0.16 -0.44 -0.50 0.00 0.06 0.00 0.00 58.65 57.61 2cre h GLN 37 Cb 1.12 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 2cre h GLN 37 CO 0.15 1.08 1.35 -3.38 -0.67 0.00 0.00 178.83 177.35 2cre s HIS 38 N -4.44 1.68 -0.38 2.96 -3.43 -1.26 -4.85 115.29 105.56 2cre s HIS 38 Ca -0.12 0.77 0.01 0.00 -0.80 0.00 0.00 55.06 54.93 2cre s HIS 38 Cb 0.10 -4.10 0.12 0.00 -1.43 0.00 0.00 32.58 27.28 2cre s HIS 38 CO 0.86 -2.33 0.17 0.08 -2.00 0.00 0.00 174.74 171.52 2cre s VAL 39 N 8.92 1.26 0.19 -5.38 1.01 -1.26 -4.96 120.40 120.17 2cre s VAL 39 Ca 0.68 -2.11 0.28 0.00 0.00 0.00 0.00 61.98 60.82 2cre s VAL 39 Cb -0.13 -1.91 0.29 0.00 0.00 0.00 0.00 36.38 34.63 2cre s VAL 39 CO 0.21 -0.80 1.92 1.55 0.00 0.00 0.00 175.10 177.99 2cre h PRO 40 N 7.29 0.00 -0.44 2.72 0.13 -1.97 -3.00 132.00 136.72 2cre h PRO 40 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 2cre h PRO 40 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2cre h PRO 40 CO 0.48 0.15 -0.25 0.93 -0.23 0.00 0.00 178.00 179.08 2cre h GLU 41 N 0.00 0.93 -2.50 0.86 5.08 -2.00 -3.36 114.58 113.59 2cre h GLU 41 Ca -0.00 -0.41 -0.60 0.00 -1.00 0.00 0.00 59.36 57.35 2cre h GLU 41 Cb 0.60 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.42 2cre h GLU 41 CO 0.02 1.07 -0.82 0.43 -1.00 0.00 0.00 179.01 178.71 2cre n SER 42 N -4.10 1.30 -4.54 1.42 7.64 -1.14 -5.07 113.62 109.14 2cre n SER 42 Ca -0.00 -2.84 -0.39 0.00 1.01 0.00 0.00 58.87 56.65 2cre n SER 42 Cb 0.47 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.97 2cre n SER 42 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2cre n GLU 43 N 2.04 0.99 0.00 1.43 2.13 -1.19 -0.67 120.64 125.37 2cre n GLU 43 Ca 0.25 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2cre n GLU 43 Cb 0.44 -3.00 0.00 0.00 0.27 0.00 0.00 31.44 29.15 2cre n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cre n GLY 44 N 6.12 1.43 3.99 8.31 0.00 -1.26 -5.12 105.19 118.66 2cre n GLY 44 Ca 0.41 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.03 2.88 -0.03 1.61 0.52 0.15 -3.11 118.94 119.94 2cre s TRP 45 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 55.98 2cre s TRP 45 Cb 0.00 -2.53 0.00 0.00 -1.15 0.00 0.00 33.47 29.79 2cre s TRP 45 CO 0.00 -0.61 -0.10 -1.58 0.02 0.00 0.00 176.95 174.68 2cre s TRP 46 N -2.55 1.07 -0.70 -1.98 0.51 0.24 -4.74 118.94 110.79 2cre s TRP 46 Ca 0.55 -0.27 -0.23 0.00 -2.12 0.00 0.00 56.10 54.03 2cre s TRP 46 Cb -0.10 -0.75 0.07 0.00 -0.81 0.00 0.00 33.47 31.88 2cre s TRP 46 CO 0.36 -0.10 1.03 0.21 -0.51 0.00 0.00 176.95 177.93 2cre s LYS 47 N 0.14 3.18 0.40 4.98 2.20 -1.23 0.77 119.74 130.17 2cre s LYS 47 Ca -0.03 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 54.80 2cre s LYS 47 Cb -0.09 -4.32 -0.03 0.00 -1.51 0.00 0.00 37.83 31.88 2cre s LYS 47 CO 0.01 -1.87 0.28 0.00 -0.36 0.00 0.00 175.35 173.41 2cre s LEU 49 N -4.01 1.76 -0.17 0.00 1.98 -0.94 -2.50 118.68 114.79 2cre s LEU 49 Ca 0.44 -0.35 -0.13 0.00 -2.89 0.00 0.00 54.13 51.20 2cre s LEU 49 Cb -0.01 -0.95 0.05 0.00 0.66 0.00 0.00 46.19 45.93 2cre s LEU 49 CO 0.26 0.07 0.43 -0.22 -1.89 0.00 0.00 176.35 174.99 2cre s LEU 50 N 0.54 0.12 -0.37 -0.68 2.96 -1.26 -3.79 118.68 116.21 2cre s LEU 50 Ca -0.15 0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 2cre s LEU 50 Cb -0.16 1.45 0.04 0.00 0.50 0.00 0.00 46.19 48.02 2cre s LEU 50 CO 0.05 -0.17 0.11 1.41 -1.32 0.00 0.00 176.35 176.42 2cre n HIS 51 N 3.50 -1.84 -2.66 5.38 8.25 -1.26 0.27 115.22 126.86 2cre n HIS 51 Ca -0.18 0.12 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 2cre n HIS 51 Cb 0.56 -1.23 0.04 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.61 -0.01 0.31 -1.41 0.00 -1.26 -5.00 105.19 97.20 2cre n GLY 52 Ca 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 0.43 -3.14 1.61 1.74 0.14 -5.05 116.66 109.84 2cre n ARG 53 Ca -0.12 0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 2cre n ARG 53 Cb 0.58 -1.25 0.07 0.00 -1.02 0.00 0.00 32.46 30.85 2cre n ARG 53 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2cre n GLN 54 N -4.13 -4.63 -4.66 5.56 6.02 -1.24 -4.95 117.38 109.34 2cre n GLN 54 Ca -0.25 0.72 -0.30 0.00 -0.01 0.00 0.00 57.00 57.16 2cre n GLN 54 Cb 0.58 -5.27 -0.10 0.00 1.02 0.00 0.00 30.24 26.47 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 -3.94 2.67 0.61 1.08 0.00 -1.04 -4.93 107.32 101.78 2cre s GLY 55 Ca 0.10 -1.69 -0.09 0.00 0.00 0.00 0.00 44.72 43.04 2cre s GLY 55 CO 0.61 -2.13 0.97 1.08 0.00 0.00 0.00 173.10 173.63 2cre s LEU 56 N -3.76 3.20 -0.09 0.66 1.43 -0.19 -1.70 118.68 118.23 2cre s LEU 56 Ca 0.26 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 2cre s LEU 56 Cb 0.07 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.39 2cre s LEU 56 CO 0.13 -1.02 0.33 0.00 0.23 0.00 0.00 176.35 176.03 2cre s ALA 57 N -3.10 -0.83 -0.32 4.21 0.00 0.23 0.17 121.76 122.12 2cre s ALA 57 Ca 0.54 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2cre s ALA 57 Cb -0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2cre s ALA 57 CO 0.49 -0.19 1.68 -1.25 0.00 0.00 0.00 175.76 176.49 2cre s PRO 58 N -0.28 3.49 0.16 0.00 0.04 -1.26 0.83 135.00 137.98 2cre s PRO 58 Ca -0.04 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.48 2cre s PRO 58 Cb -0.03 -4.12 0.57 0.00 0.04 0.00 0.00 34.50 30.95 2cre s PRO 58 CO 0.02 -1.67 1.30 0.00 0.04 0.00 0.00 177.00 176.69 2cre n ALA 59 N 9.56 0.98 0.30 8.56 0.00 -1.18 -0.47 120.51 138.25 2cre n ALA 59 Ca 0.21 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.87 2cre n ALA 59 Cb 0.47 -1.11 0.29 0.00 0.00 0.00 0.00 19.45 19.10 2cre n ALA 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2cre h ASN 60 N 0.00 0.00 -0.20 0.00 4.21 -1.89 -3.11 115.58 114.59 2cre h ASN 60 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2cre h ASN 60 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 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 -2.93 1.75 -3.91 0.81 1.74 0.38 -5.00 116.66 109.49 2cre n ARG 61 Ca 0.04 -1.67 -0.21 0.00 -0.77 0.00 0.00 57.85 55.23 2cre n ARG 61 Cb 0.47 -1.28 -0.02 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.04 4.07 -0.32 0.55 2.01 -1.15 -2.37 118.68 120.43 2cre s LEU 62 Ca 0.21 -0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.25 2cre s LEU 62 Cb 0.12 -2.65 0.10 0.00 0.01 0.00 0.00 46.19 43.77 2cre s LEU 62 CO 0.17 -0.14 0.09 -1.58 1.01 0.00 0.00 176.35 175.89 2cre s GLN 63 N -3.98 0.95 -0.03 1.70 0.74 0.45 -4.86 119.66 114.63 2cre s GLN 63 Ca 0.36 -1.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.14 2cre s GLN 63 Cb -0.09 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.61 2cre s GLN 63 CO 0.28 -0.98 1.58 0.42 -0.55 0.00 0.00 175.29 176.04 2cre s ILE 64 N 1.38 3.55 -0.69 -2.34 -1.09 -1.26 -1.60 121.20 119.16 2cre s ILE 64 Ca 0.10 0.79 -0.12 0.00 -2.23 0.00 0.00 60.65 59.20 2cre s ILE 64 Cb -0.18 -3.51 0.18 0.00 -1.58 0.00 0.00 42.46 37.37 2cre s ILE 64 CO -0.20 -0.04 0.60 -0.76 -1.23 0.00 0.00 174.94 173.31 2cre s LEU 65 N 3.41 6.23 -0.18 2.97 1.43 -1.22 -5.00 118.68 126.33 2cre s LEU 65 Ca 0.70 -2.44 -0.18 0.00 -1.03 0.00 0.00 54.13 51.18 2cre s LEU 65 Cb -0.33 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2cre s LEU 65 CO 0.28 -0.61 0.49 -0.94 0.23 0.00 0.00 176.35 175.81 2cre s SER 66 N 2.24 6.58 0.00 2.29 1.04 -1.26 -4.89 113.70 119.70 2cre s SER 66 Ca 0.13 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2cre s SER 66 Cb -0.18 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2cre s SER 66 CO -0.05 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2cre n GLY 67 N 3.73 1.81 3.59 7.32 0.00 -1.26 -5.17 105.19 115.21 2cre n GLY 67 Ca -0.06 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.93 -1.33 -0.02 1.61 0.04 -1.26 -5.09 135.00 127.01 2cre s PRO 68 Ca 0.00 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 60.81 2cre s PRO 68 Cb 0.00 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.97 2cre s PRO 68 CO 0.00 -3.78 0.26 0.45 0.04 0.00 0.00 177.00 173.97 2cre s SER 69 N -3.92 -0.14 0.06 6.66 0.15 -1.26 -5.17 113.70 110.07 2cre s SER 69 Ca 0.71 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2cre s SER 69 Cb -0.09 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2cre s SER 69 CO 0.56 -0.39 -0.05 -0.44 1.20 0.00 0.00 173.24 174.13 2cre s SER 70 N -1.17 0.67 0.00 5.45 0.01 -1.26 -5.38 113.70 112.02 2cre s SER 70 Ca -0.12 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2cre s SER 70 Cb -0.06 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2cre s SER 70 CO 0.03 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.84