#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 0.47 -4.25 1.61 4.64 -2.14 -3.49 113.55 110.39 2cre h SER 2 Ca 0.00 -0.89 0.09 0.00 -0.47 0.00 0.00 61.79 60.52 2cre h SER 2 Cb 0.00 -0.15 -0.21 0.00 -0.31 0.00 0.00 62.40 61.73 2cre h SER 2 CO 0.00 1.58 0.54 -0.44 -0.87 0.00 0.00 176.83 177.64 2cre s SER 3 N -7.09 -0.36 -0.78 4.97 0.01 -1.26 -5.11 113.70 104.08 2cre s SER 3 Ca -0.17 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.33 2cre s SER 3 Cb 0.03 0.32 0.20 0.00 0.21 0.00 0.00 66.02 66.78 2cre s SER 3 CO 0.81 -0.40 0.66 -0.83 0.41 0.00 0.00 173.24 173.89 2cre s GLY 4 N -1.45 2.72 -0.09 3.44 0.00 -1.26 -5.05 107.32 105.63 2cre s GLY 4 Ca 0.00 -3.44 -0.30 0.00 0.00 0.00 0.00 44.72 40.98 2cre s GLY 4 CO -0.01 1.19 1.14 -0.45 0.00 0.00 0.00 173.10 174.96 2cre s SER 5 N 1.02 7.10 -0.97 1.64 0.15 -1.26 -4.96 113.70 116.43 2cre s SER 5 Ca 0.20 1.69 -0.24 0.00 0.70 0.00 0.00 55.95 58.30 2cre s SER 5 Cb -0.14 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2cre s SER 5 CO -0.07 -0.56 1.55 -0.44 1.20 0.00 0.00 173.24 174.92 2cre s SER 6 N 1.38 6.17 -0.39 5.45 0.01 -1.26 -4.96 113.70 120.10 2cre s SER 6 Ca 0.53 -1.20 -0.20 0.00 1.31 0.00 0.00 55.95 56.39 2cre s SER 6 Cb -0.22 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.46 2cre s SER 6 CO 0.19 -1.81 0.61 -0.83 0.41 0.00 0.00 173.24 171.81 2cre s GLY 7 N 5.61 1.75 0.56 3.44 0.00 -1.26 -4.58 107.32 112.84 2cre s GLY 7 Ca 0.51 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2cre s GLY 7 CO -0.06 1.46 0.78 1.08 0.00 0.00 0.00 173.10 176.36 2cre s LEU 8 N 2.68 3.27 -0.07 0.66 2.01 -0.47 -4.90 118.68 121.85 2cre s LEU 8 Ca 0.22 -0.24 0.01 0.00 0.01 0.00 0.00 54.13 54.14 2cre s LEU 8 Cb -0.15 -2.54 0.02 0.00 0.01 0.00 0.00 46.19 43.53 2cre s LEU 8 CO 0.16 -1.23 -0.10 -0.76 1.01 0.00 0.00 176.35 175.44 2cre s LEU 9 N -4.75 1.47 0.09 1.79 1.43 -1.26 -0.38 118.68 117.07 2cre s LEU 9 Ca 0.59 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2cre s LEU 9 Cb -0.09 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 2cre s LEU 9 CO 0.39 -0.02 -0.10 0.00 0.23 0.00 0.00 176.35 176.85 2cre s ALA 10 N 0.96 1.05 0.36 4.21 0.00 -0.54 -3.64 121.76 124.16 2cre s ALA 10 Ca -0.09 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.76 2cre s ALA 10 Cb -0.15 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2cre s ALA 10 CO 0.00 -0.04 0.52 0.50 0.00 0.00 0.00 175.76 176.74 2cre s ARG 11 N -2.69 3.17 -0.42 0.00 3.52 -0.97 0.21 118.95 121.76 2cre s ARG 11 Ca 0.04 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2cre s ARG 11 Cb -0.03 -2.74 0.11 0.00 -1.56 0.00 0.00 34.95 30.72 2cre s ARG 11 CO -0.00 0.02 0.24 0.00 -0.81 0.00 0.00 175.30 174.75 2cre s ALA 12 N -2.27 3.22 0.26 6.12 0.00 -1.08 -1.60 121.76 126.41 2cre s ALA 12 Ca 0.44 -2.54 0.31 0.00 0.00 0.00 0.00 51.96 50.17 2cre s ALA 12 Cb -0.10 -2.52 1.41 0.00 0.00 0.00 0.00 23.12 21.92 2cre s ALA 12 CO 0.33 -1.83 2.02 -0.07 0.00 0.00 0.00 175.76 176.21 2cre h LEU 13 N 8.15 0.00 -7.78 0.00 3.38 -1.84 -2.10 115.31 115.11 2cre h LEU 13 Ca -0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2cre h LEU 13 Cb 1.05 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.61 2cre h LEU 13 CO 0.74 0.09 -0.48 -0.31 0.09 0.00 0.00 178.44 178.56 2cre s TYR 14 N -3.86 0.08 0.16 1.13 2.02 -1.26 -4.86 117.35 110.76 2cre s TYR 14 Ca -0.01 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 2cre s TYR 14 Cb 0.11 -0.07 -0.07 0.00 -0.40 0.00 0.00 41.96 41.53 2cre s TYR 14 CO 0.56 -0.33 0.95 0.16 -1.57 0.00 0.00 175.55 175.32 2cre s ASP 15 N -1.66 7.55 -0.17 2.29 1.47 -1.26 -4.53 116.67 120.36 2cre s ASP 15 Ca -0.11 1.84 -0.06 0.00 1.18 0.00 0.00 52.55 55.40 2cre s ASP 15 Cb -0.05 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.90 2cre s ASP 15 CO -0.01 0.02 0.05 0.21 0.68 0.00 0.00 175.17 176.12 2cre s ASN 16 N -0.45 5.51 -0.87 2.11 2.47 -0.50 -4.97 114.94 118.24 2cre s ASN 16 Ca 0.44 0.08 -0.02 0.00 0.42 0.00 0.00 52.86 53.78 2cre s ASN 16 Cb -0.24 -1.90 0.21 0.00 -1.45 0.00 0.00 41.25 37.87 2cre s ASN 16 CO 0.30 0.20 0.75 0.00 -3.72 0.00 0.00 177.10 174.63 2cre s PRO 18 N -1.21 0.43 0.00 0.00 0.04 -1.26 -5.01 135.00 127.99 2cre s PRO 18 Ca 0.26 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2cre s PRO 18 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2cre s PRO 18 CO -0.12 -2.73 0.00 -0.40 0.04 0.00 0.00 177.00 173.79 2cre n ASP 19 N -4.18 4.09 -4.38 6.66 5.75 -1.26 -5.04 116.55 118.19 2cre n ASP 19 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.52 2cre n ASP 19 Cb 0.57 0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 41.03 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 5.04 0.26 -0.68 0.00 0.02 -2.00 -1.08 113.55 115.09 2cre h SER 21 Ca -0.46 0.23 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2cre h SER 21 Cb 1.14 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 2cre h SER 21 CO 0.46 -0.30 -0.40 -0.67 -1.14 0.00 0.00 176.83 174.78 2cre n ASP 22 N -5.22 -0.73 -3.61 3.07 2.03 -1.26 -4.48 116.55 106.36 2cre n ASP 22 Ca 0.33 1.41 -0.30 0.00 0.52 0.00 0.00 54.79 56.74 2cre n ASP 22 Cb 1.07 -0.25 0.27 0.00 -0.72 0.00 0.00 41.12 41.48 2cre n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2cre s GLU 23 N -4.91 -2.11 0.08 -0.67 2.02 -0.41 0.35 118.70 113.04 2cre s GLU 23 Ca -0.08 0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.02 2cre s GLU 23 Cb 0.08 -1.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 2cre s GLU 23 CO 0.42 -4.31 -0.24 -1.17 0.02 0.00 0.00 175.26 169.98 2cre s LEU 24 N -7.40 2.23 -0.35 1.80 0.20 0.48 -3.73 118.68 111.91 2cre s LEU 24 Ca 0.70 -0.63 -0.02 0.00 0.69 0.00 0.00 54.13 54.87 2cre s LEU 24 Cb -0.11 -1.12 0.08 0.00 -0.43 0.00 0.00 46.19 44.61 2cre s LEU 24 CO 0.57 0.18 0.09 0.00 -0.29 0.00 0.00 176.35 176.90 2cre s ALA 25 N -0.93 2.97 0.11 5.97 0.00 -1.26 -4.41 121.76 124.21 2cre s ALA 25 Ca 0.10 -2.11 0.06 0.00 0.00 0.00 0.00 51.96 50.01 2cre s ALA 25 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2cre s ALA 25 CO 0.03 -1.51 -0.15 -0.59 0.00 0.00 0.00 175.76 173.54 2cre s PHE 26 N 1.20 1.40 0.31 0.00 -0.12 -1.24 -4.99 117.98 114.53 2cre s PHE 26 Ca 0.01 -0.51 0.07 0.00 -0.05 0.00 0.00 56.93 56.45 2cre s PHE 26 Cb -0.21 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.41 2cre s PHE 26 CO -0.02 0.13 0.36 -1.12 -0.05 0.00 0.00 175.22 174.52 2cre s SER 27 N -2.20 5.77 0.25 1.98 0.01 -1.26 -1.42 113.70 116.84 2cre s SER 27 Ca 0.06 -0.24 -0.31 0.00 1.31 0.00 0.00 55.95 56.77 2cre s SER 27 Cb -0.07 -1.29 -0.13 0.00 0.21 0.00 0.00 66.02 64.74 2cre s SER 27 CO 0.03 -0.29 1.51 -1.14 0.41 0.00 0.00 173.24 173.76 2cre n ARG 28 N -1.46 2.32 -1.85 12.44 0.00 -1.26 -2.73 116.66 124.12 2cre n ARG 28 Ca -0.03 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 2cre n ARG 28 Cb 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 32.46 30.50 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 2.39 0.79 3.03 5.14 0.00 -0.79 -5.01 105.19 110.74 2cre n GLY 29 Ca 0.11 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 2.85 -0.45 1.61 1.01 -1.10 -4.94 116.67 112.81 2cre s ASP 30 Ca 0.00 -0.57 -0.29 0.00 0.71 0.00 0.00 52.55 52.40 2cre s ASP 30 Cb 0.00 -1.23 0.02 0.00 1.01 0.00 0.00 42.92 42.72 2cre s ASP 30 CO 0.00 -0.06 1.29 -0.63 0.21 0.00 0.00 175.17 175.98 2cre s ILE 31 N 1.45 4.03 -0.08 0.77 1.09 -1.26 -2.63 121.20 124.56 2cre s ILE 31 Ca 0.04 1.05 -0.18 0.00 -1.10 0.00 0.00 60.65 60.46 2cre s ILE 31 Cb -0.13 -4.39 -0.05 0.00 -1.06 0.00 0.00 42.46 36.83 2cre s ILE 31 CO -0.11 -0.89 0.47 -0.76 -0.10 0.00 0.00 174.94 173.55 2cre s LEU 32 N 5.02 4.33 -0.74 2.97 2.01 0.13 -4.90 118.68 127.50 2cre s LEU 32 Ca 0.55 0.87 -0.23 0.00 0.01 0.00 0.00 54.13 55.33 2cre s LEU 32 Cb -0.11 -2.68 0.07 0.00 0.01 0.00 0.00 46.19 43.48 2cre s LEU 32 CO 0.32 0.08 1.08 -0.89 1.01 0.00 0.00 176.35 177.96 2cre s THR 33 N 0.19 4.23 -0.66 5.49 2.01 -1.24 -1.47 115.64 124.18 2cre s THR 33 Ca 0.25 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 2cre s THR 33 Cb -0.16 -4.77 -0.07 0.00 0.01 0.00 0.00 72.50 67.51 2cre s THR 33 CO 0.11 -1.58 2.20 -0.63 -0.69 0.00 0.00 174.62 174.03 2cre s ILE 34 N 4.28 3.17 0.20 1.82 1.01 0.49 -1.98 121.20 130.18 2cre s ILE 34 Ca 0.28 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 2cre s ILE 34 Cb -0.12 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.05 2cre s ILE 34 CO 0.07 -0.40 1.84 -0.07 0.00 0.00 0.00 174.94 176.38 2cre h LEU 35 N 19.23 0.66 -7.14 2.97 3.38 -0.34 -1.26 115.31 132.82 2cre h LEU 35 Ca -0.13 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2cre h LEU 35 Cb 1.14 -0.15 -0.25 0.00 0.09 0.00 0.00 40.66 41.49 2cre h LEU 35 CO 1.15 0.46 -0.25 -1.83 0.09 0.00 0.00 178.44 178.06 2cre s GLU 36 N -6.13 0.44 0.07 1.13 -1.05 -1.19 -4.39 118.70 107.59 2cre s GLU 36 Ca -0.13 0.98 -0.07 0.00 -0.15 0.00 0.00 54.97 55.60 2cre s GLU 36 Cb 0.14 0.17 -0.29 0.00 -0.44 0.00 0.00 34.13 33.71 2cre s GLU 36 CO 0.76 -0.19 1.12 1.96 0.95 0.00 0.00 175.26 179.86 2cre h GLN 37 N 7.45 0.36 -6.23 -4.83 4.20 -1.87 -3.23 115.11 110.96 2cre h GLN 37 Ca -0.28 -0.59 -0.53 0.00 0.06 0.00 0.00 58.65 57.30 2cre h GLN 37 Cb 1.16 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 2cre h GLN 37 CO 0.21 1.27 1.21 -1.01 -0.67 0.00 0.00 178.83 179.84 2cre s HIS 38 N -2.70 2.00 -0.40 2.96 3.76 -1.26 -4.89 115.29 114.77 2cre s HIS 38 Ca -0.05 0.56 0.02 0.00 -0.15 0.00 0.00 55.06 55.43 2cre s HIS 38 Cb 0.06 -4.27 0.12 0.00 1.11 0.00 0.00 32.58 29.60 2cre s HIS 38 CO 0.90 -2.23 0.18 0.08 -0.85 0.00 0.00 174.74 172.82 2cre s VAL 39 N 7.21 1.47 0.19 -0.90 1.01 -1.26 -4.97 120.40 123.15 2cre s VAL 39 Ca 0.60 -2.28 -0.05 0.00 0.00 0.00 0.00 61.98 60.25 2cre s VAL 39 Cb -0.13 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2cre s VAL 39 CO 0.24 -0.79 1.55 1.55 0.00 0.00 0.00 175.10 177.64 2cre h PRO 40 N 7.19 0.69 0.00 2.72 0.13 -1.97 -2.83 132.00 137.93 2cre h PRO 40 Ca -0.06 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2cre h PRO 40 Cb 0.96 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2cre h PRO 40 CO 0.50 0.97 0.00 0.93 -0.23 0.00 0.00 178.00 180.17 2cre h GLU 41 N 0.56 0.00 -1.15 0.86 4.39 -2.01 -3.39 114.58 113.83 2cre h GLU 41 Ca 0.04 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.85 2cre h GLU 41 Cb 0.95 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.39 2cre h GLU 41 CO 0.09 0.00 -0.18 -1.12 -1.16 0.00 0.00 179.01 176.63 2cre s SER 42 N -4.48 -1.22 0.00 1.42 0.01 -1.07 -5.15 113.70 103.22 2cre s SER 42 Ca -0.02 0.97 -0.25 0.00 1.31 0.00 0.00 55.95 57.96 2cre s SER 42 Cb 0.09 2.11 -0.04 0.00 0.21 0.00 0.00 66.02 68.38 2cre s SER 42 CO 0.30 -0.23 0.78 -1.61 0.41 0.00 0.00 173.24 172.89 2cre s GLU 43 N 2.86 4.49 0.00 12.44 8.01 -1.23 -3.74 118.70 141.53 2cre s GLU 43 Ca 0.12 1.07 0.00 0.00 0.01 0.00 0.00 54.97 56.17 2cre s GLU 43 Cb -0.14 -3.41 0.00 0.00 -4.31 0.00 0.00 34.13 26.28 2cre s GLU 43 CO -0.19 0.16 0.00 0.41 0.01 0.00 0.00 175.26 175.64 2cre n GLY 44 N 2.70 2.88 3.91 -1.39 0.00 -1.26 -5.05 105.19 106.98 2cre n GLY 44 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.87 3.48 -0.01 1.61 0.52 -1.25 -0.91 118.94 119.51 2cre s TRP 45 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.84 2cre s TRP 45 Cb 0.00 -2.35 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2cre s TRP 45 CO 0.00 -0.35 -0.06 -1.58 0.02 0.00 0.00 176.95 174.98 2cre s TRP 46 N -2.74 0.57 -0.65 -1.98 0.51 0.28 -4.73 118.94 110.20 2cre s TRP 46 Ca 0.48 -0.12 -0.23 0.00 -2.12 0.00 0.00 56.10 54.11 2cre s TRP 46 Cb -0.10 -0.41 0.06 0.00 -0.81 0.00 0.00 33.47 32.21 2cre s TRP 46 CO 0.44 -0.04 0.99 0.21 -0.51 0.00 0.00 176.95 178.04 2cre s LYS 47 N 0.08 3.15 0.28 4.98 2.47 -1.22 0.65 119.74 130.13 2cre s LYS 47 Ca -0.01 -0.68 0.09 0.00 -1.56 0.00 0.00 55.97 53.81 2cre s LYS 47 Cb -0.05 -4.20 -0.04 0.00 -1.46 0.00 0.00 37.83 32.08 2cre s LYS 47 CO -0.00 -1.80 0.02 0.00 0.16 0.00 0.00 175.35 173.73 2cre s LEU 49 N -3.70 2.24 -0.16 0.00 1.98 -0.84 -2.57 118.68 115.63 2cre s LEU 49 Ca 0.32 -0.51 -0.10 0.00 -2.89 0.00 0.00 54.13 50.95 2cre s LEU 49 Cb -0.06 -1.46 0.05 0.00 0.66 0.00 0.00 46.19 45.39 2cre s LEU 49 CO 0.20 0.16 0.40 -0.22 -1.89 0.00 0.00 176.35 175.00 2cre s LEU 50 N 0.37 0.09 -1.47 -0.68 2.96 -1.26 -3.71 118.68 114.98 2cre s LEU 50 Ca -0.17 0.85 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 2cre s LEU 50 Cb -0.17 1.32 0.18 0.00 0.50 0.00 0.00 46.19 48.02 2cre s LEU 50 CO 0.08 -0.18 0.48 1.41 -1.32 0.00 0.00 176.35 176.82 2cre n HIS 51 N 3.87 -1.37 -3.05 5.38 8.25 -1.26 0.17 115.22 127.22 2cre n HIS 51 Ca -0.21 0.54 -0.13 0.00 -0.26 0.00 0.00 57.72 57.67 2cre n HIS 51 Cb 0.56 -1.73 0.07 0.00 1.12 0.00 0.00 29.99 30.00 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 -0.95 -0.26 0.27 -1.41 0.00 -1.26 -4.98 105.19 96.59 2cre n GLY 52 Ca 0.09 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.30 0.45 -3.10 1.61 1.74 0.13 -5.05 116.66 109.13 2cre n ARG 53 Ca -0.19 0.19 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2cre n ARG 53 Cb 0.62 -1.28 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 -4.21 -4.19 -4.64 5.56 6.02 -1.25 -4.95 117.38 109.72 2cre n GLN 54 Ca -0.22 0.71 -0.29 0.00 -0.01 0.00 0.00 57.00 57.20 2cre n GLN 54 Cb 0.55 -5.23 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 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 -3.84 2.60 0.62 1.08 0.00 -1.06 -4.91 107.32 101.81 2cre s GLY 55 Ca 0.14 -1.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 2cre s GLY 55 CO 0.61 -2.09 0.98 1.08 0.00 0.00 0.00 173.10 173.68 2cre s LEU 56 N -3.73 3.19 -0.08 0.66 1.43 0.15 -1.89 118.68 118.42 2cre s LEU 56 Ca 0.27 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2cre s LEU 56 Cb 0.08 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.34 2cre s LEU 56 CO 0.14 -1.02 0.29 0.00 0.23 0.00 0.00 176.35 176.00 2cre s ALA 57 N -3.12 -0.73 -0.45 4.21 0.00 0.21 0.18 121.76 122.06 2cre s ALA 57 Ca 0.54 0.65 -0.28 0.00 0.00 0.00 0.00 51.96 52.88 2cre s ALA 57 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2cre s ALA 57 CO 0.50 -0.18 1.77 -1.25 0.00 0.00 0.00 175.76 176.59 2cre s PRO 58 N -0.33 3.09 0.21 0.00 0.04 -1.26 0.10 135.00 136.84 2cre s PRO 58 Ca -0.05 1.03 0.11 0.00 0.04 0.00 0.00 61.00 62.14 2cre s PRO 58 Cb -0.03 -4.25 0.62 0.00 0.04 0.00 0.00 34.50 30.87 2cre s PRO 58 CO 0.01 -2.16 1.28 0.00 0.04 0.00 0.00 177.00 176.17 2cre n ALA 59 N 11.05 0.84 0.17 8.56 0.00 -0.09 -0.07 120.51 140.97 2cre n ALA 59 Ca 0.21 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.81 2cre n ALA 59 Cb 0.49 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.43 0.00 2.35 -1.88 -3.12 115.58 112.49 2cre h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2cre h ASN 60 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2cre h ASN 60 CO 0.00 0.34 0.00 0.54 -1.65 0.00 0.00 177.43 176.66 2cre n ARG 61 N -3.24 2.46 -4.08 0.81 1.74 0.90 -4.97 116.66 110.28 2cre n ARG 61 Ca 0.02 -2.20 -0.23 0.00 -0.77 0.00 0.00 57.85 54.67 2cre n ARG 61 Cb 0.62 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.15 3.91 -0.31 0.55 2.01 -1.14 -2.50 118.68 120.05 2cre s LEU 62 Ca 0.34 -0.16 0.01 0.00 0.01 0.00 0.00 54.13 54.33 2cre s LEU 62 Cb 0.19 -2.46 0.10 0.00 0.01 0.00 0.00 46.19 44.03 2cre s LEU 62 CO 0.25 -0.02 0.07 -1.58 1.01 0.00 0.00 176.35 176.09 2cre s GLN 63 N -3.68 1.01 -0.10 1.70 0.74 -0.63 -4.92 119.66 113.78 2cre s GLN 63 Ca 0.33 -1.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.12 2cre s GLN 63 Cb -0.09 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.55 2cre s GLN 63 CO 0.25 -0.95 1.70 0.42 -0.55 0.00 0.00 175.29 176.16 2cre s ILE 64 N 1.37 3.54 -0.38 -2.34 -1.09 -1.26 -2.28 121.20 118.76 2cre s ILE 64 Ca 0.09 0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 58.96 2cre s ILE 64 Cb -0.18 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2cre s ILE 64 CO -0.18 -0.11 0.60 -0.76 -1.23 0.00 0.00 174.94 173.25 2cre s LEU 65 N 4.59 4.37 -0.10 2.97 1.43 -1.24 -5.03 118.68 125.68 2cre s LEU 65 Ca 0.75 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 2cre s LEU 65 Cb -0.32 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2cre s LEU 65 CO 0.31 -0.62 0.43 -0.55 0.23 0.00 0.00 176.35 176.15 2cre s SER 66 N 1.85 6.67 0.00 2.29 0.15 -1.26 -4.90 113.70 118.49 2cre s SER 66 Ca 0.22 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2cre s SER 66 Cb -0.15 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cre s SER 66 CO 0.16 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2cre n GLY 67 N 2.95 -1.64 0.20 9.45 0.00 -1.26 -5.04 105.19 109.86 2cre n GLY 67 Ca -0.09 0.80 0.06 0.00 0.00 0.00 0.00 46.02 46.79 2cre n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cre h PRO 68 N 0.00 0.00 -4.38 1.61 0.13 -2.07 -3.46 132.00 123.83 2cre h PRO 68 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2cre h PRO 68 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2cre h PRO 68 CO 0.00 0.34 -0.16 0.45 -0.23 0.00 0.00 178.00 178.41 2cre n SER 69 N -3.71 -0.43 -3.95 1.44 2.88 -1.26 -4.94 113.62 103.65 2cre n SER 69 Ca -0.01 0.84 -0.28 0.00 -1.33 0.00 0.00 58.87 58.09 2cre n SER 69 Cb 0.44 -0.68 -0.17 0.00 -0.75 0.00 0.00 64.21 63.05 2cre n SER 69 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cre s SER 70 N -0.34 2.32 0.00 -3.46 0.15 -1.26 -5.27 113.70 105.85 2cre s SER 70 Ca 0.57 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2cre s SER 70 Cb -0.81 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 2cre s SER 70 CO 0.41 -0.08 0.25 0.61 1.20 0.00 0.00 173.24 175.62