#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cre n SER 2 N 0.00 0.93 -4.28 1.61 7.64 -1.26 -4.89 113.62 113.37 2cre n SER 2 Ca 0.00 0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.90 2cre n SER 2 Cb 0.00 -1.06 -0.10 0.00 -1.01 0.00 0.00 64.21 62.03 2cre n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cre s SER 3 N 8.74 2.14 0.02 6.43 1.04 -1.26 -5.01 113.70 125.79 2cre s SER 3 Ca 1.24 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2cre s SER 3 Cb -1.08 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 64.96 2cre s SER 3 CO 0.49 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2cre n GLY 4 N 0.01 -0.41 3.79 7.32 0.00 -1.26 -5.14 105.19 109.50 2cre n GLY 4 Ca -0.11 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2cre n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cre s SER 5 N -2.00 6.52 0.00 1.61 1.04 -1.26 -5.06 113.70 114.55 2cre s SER 5 Ca 0.00 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.47 2cre s SER 5 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2cre s SER 5 CO 0.00 -0.66 -0.15 -0.44 0.98 0.00 0.00 173.24 172.97 2cre s SER 6 N -1.79 3.99 -0.39 7.02 0.01 -1.26 -5.10 113.70 116.19 2cre s SER 6 Ca 0.63 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2cre s SER 6 Cb -0.19 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.29 2cre s SER 6 CO 0.23 0.29 0.27 -0.83 0.41 0.00 0.00 173.24 173.62 2cre s GLY 7 N -1.16 1.99 0.50 3.44 0.00 -1.26 -4.28 107.32 106.55 2cre s GLY 7 Ca 0.14 -1.66 0.07 0.00 0.00 0.00 0.00 44.72 43.27 2cre s GLY 7 CO 0.04 0.88 0.43 1.08 0.00 0.00 0.00 173.10 175.53 2cre s LEU 8 N 1.66 2.98 -0.00 0.66 2.01 0.50 -4.95 118.68 121.53 2cre s LEU 8 Ca 0.05 -1.04 0.04 0.00 0.01 0.00 0.00 54.13 53.19 2cre s LEU 8 Cb -0.19 -1.52 -0.01 0.00 0.01 0.00 0.00 46.19 44.48 2cre s LEU 8 CO 0.09 -0.97 -0.14 -0.76 1.01 0.00 0.00 176.35 175.58 2cre s LEU 9 N -4.27 2.05 0.19 1.79 1.43 -1.26 -0.06 118.68 118.55 2cre s LEU 9 Ca 0.42 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2cre s LEU 9 Cb -0.03 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 2cre s LEU 9 CO 0.25 0.16 0.12 0.00 0.23 0.00 0.00 176.35 177.11 2cre s ALA 10 N -0.40 1.14 0.33 4.21 0.00 0.53 -3.37 121.76 124.19 2cre s ALA 10 Ca 0.05 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.43 2cre s ALA 10 Cb -0.06 1.34 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 2cre s ALA 10 CO -0.00 -0.58 0.01 0.50 0.00 0.00 0.00 175.76 175.68 2cre s ARG 11 N -4.15 2.10 -0.43 0.00 3.52 -0.74 -0.80 118.95 118.46 2cre s ARG 11 Ca 0.37 -1.70 -0.05 0.00 -0.13 0.00 0.00 55.73 54.23 2cre s ARG 11 Cb 0.07 -1.96 0.11 0.00 -1.56 0.00 0.00 34.95 31.61 2cre s ARG 11 CO 0.11 0.17 0.24 0.00 -0.81 0.00 0.00 175.30 175.01 2cre s ALA 12 N -2.49 3.22 0.30 6.12 0.00 -1.13 -2.02 121.76 125.76 2cre s ALA 12 Ca 0.34 -2.55 0.26 0.00 0.00 0.00 0.00 51.96 50.02 2cre s ALA 12 Cb -0.01 -2.53 1.25 0.00 0.00 0.00 0.00 23.12 21.83 2cre s ALA 12 CO 0.19 -1.83 1.98 -0.07 0.00 0.00 0.00 175.76 176.03 2cre h LEU 13 N 8.14 0.00 -7.28 0.00 3.38 -1.87 -2.77 115.31 114.90 2cre h LEU 13 Ca -0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2cre h LEU 13 Cb 1.05 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.58 2cre h LEU 13 CO 0.74 0.16 -0.15 -0.31 0.09 0.00 0.00 178.44 178.98 2cre s TYR 14 N -3.96 -0.46 1.04 1.13 1.51 -1.26 -4.88 117.35 110.47 2cre s TYR 14 Ca -0.01 1.01 -0.12 0.00 -1.01 0.00 0.00 57.07 56.93 2cre s TYR 14 Cb 0.12 0.19 0.17 0.00 -0.11 0.00 0.00 41.96 42.33 2cre s TYR 14 CO 0.60 -0.33 0.84 -0.40 -1.11 0.00 0.00 175.55 175.15 2cre n ASP 15 N 2.22 -1.10 -3.82 2.29 5.68 -1.26 -4.49 116.55 116.07 2cre n ASP 15 Ca -0.16 0.14 -0.16 0.00 -0.50 0.00 0.00 54.79 54.11 2cre n ASP 15 Cb 0.57 -1.30 -0.16 0.00 -1.14 0.00 0.00 41.12 39.09 2cre n ASP 15 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2cre s ASN 16 N -2.36 0.26 -0.69 -1.12 2.47 0.12 -4.88 114.94 108.75 2cre s ASN 16 Ca 0.65 -0.01 -0.03 0.00 0.42 0.00 0.00 52.86 53.89 2cre s ASN 16 Cb -0.22 -0.14 0.18 0.00 -1.45 0.00 0.00 41.25 39.62 2cre s ASN 16 CO 0.63 -0.09 0.52 0.00 -3.72 0.00 0.00 177.10 174.45 2cre s PRO 18 N -0.36 3.75 -0.13 0.00 0.04 -1.26 -4.97 135.00 132.08 2cre s PRO 18 Ca 0.19 1.77 0.16 0.00 0.04 0.00 0.00 61.00 63.16 2cre s PRO 18 Cb -0.17 -2.40 -0.23 0.00 0.04 0.00 0.00 34.50 31.74 2cre s PRO 18 CO -0.06 -0.55 0.15 -3.47 0.04 0.00 0.00 177.00 173.11 2cre n ASP 19 N -0.49 0.89 -4.77 6.66 -0.08 -1.26 -5.00 116.55 112.49 2cre n ASP 19 Ca 0.07 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.13 2cre n ASP 19 Cb 0.48 1.16 -0.06 0.00 2.34 0.00 0.00 41.12 45.05 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cre h SER 21 N 1.40 0.30 -0.99 0.00 0.87 -2.02 -3.08 113.55 110.03 2cre h SER 21 Ca -0.43 -0.41 0.28 0.00 -1.23 0.00 0.00 61.79 60.00 2cre h SER 21 Cb 1.25 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 2cre h SER 21 CO 0.62 0.64 0.54 -2.24 -0.53 0.00 0.00 176.83 175.87 2cre h ASP 22 N -0.05 0.52 -4.28 6.23 3.04 -1.97 -3.41 116.42 116.51 2cre h ASP 22 Ca 0.03 0.17 -0.51 0.00 -3.24 0.00 0.00 57.03 53.48 2cre h ASP 22 Cb 0.53 0.11 0.13 0.00 -1.04 0.00 0.00 39.33 39.06 2cre h ASP 22 CO 0.02 -0.05 0.31 -0.70 -2.04 0.00 0.00 179.24 176.78 2cre s GLU 23 N -5.73 2.11 0.13 4.15 2.12 -1.17 0.60 118.70 120.91 2cre s GLU 23 Ca -0.10 1.11 0.05 0.00 0.36 0.00 0.00 54.97 56.38 2cre s GLU 23 Cb 0.29 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 2cre s GLU 23 CO 0.79 -1.73 0.08 -1.17 -0.54 0.00 0.00 175.26 172.69 2cre s LEU 24 N -5.97 3.70 -0.31 2.70 0.20 0.18 -4.21 118.68 114.98 2cre s LEU 24 Ca 0.61 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 55.33 2cre s LEU 24 Cb -0.17 -2.36 0.08 0.00 -0.43 0.00 0.00 46.19 43.31 2cre s LEU 24 CO 0.56 0.12 -0.00 0.00 -0.29 0.00 0.00 176.35 176.74 2cre s ALA 25 N -1.56 2.79 0.14 5.97 0.00 -1.26 -4.19 121.76 123.64 2cre s ALA 25 Ca 0.29 -2.16 0.05 0.00 0.00 0.00 0.00 51.96 50.14 2cre s ALA 25 Cb -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2cre s ALA 25 CO 0.22 -1.47 -0.11 -0.59 0.00 0.00 0.00 175.76 173.81 2cre s PHE 26 N 1.04 1.28 0.16 0.00 -0.12 -1.24 -5.01 117.98 114.10 2cre s PHE 26 Ca 0.01 -0.70 0.11 0.00 -0.05 0.00 0.00 56.93 56.30 2cre s PHE 26 Cb -0.20 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2cre s PHE 26 CO -0.06 0.10 -0.24 -1.12 -0.05 0.00 0.00 175.22 173.85 2cre s SER 27 N -2.95 3.26 0.30 1.98 0.01 -1.26 0.14 113.70 115.19 2cre s SER 27 Ca 0.14 -0.81 -0.23 0.00 1.31 0.00 0.00 55.95 56.35 2cre s SER 27 Cb 0.00 -0.22 -0.16 0.00 0.21 0.00 0.00 66.02 65.85 2cre s SER 27 CO 0.01 0.12 0.27 -1.14 0.41 0.00 0.00 173.24 172.92 2cre n ARG 28 N 0.56 0.00 -2.92 12.44 3.00 -1.26 -2.72 116.66 125.76 2cre n ARG 28 Ca -0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.59 2cre n ARG 28 Cb 0.55 -0.97 0.04 0.00 0.00 0.00 0.00 32.46 32.08 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 2.11 0.14 2.82 5.14 0.00 -1.05 -4.94 105.19 109.40 2cre n GLY 29 Ca 0.14 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.37 2.04 -0.36 1.61 1.01 -1.10 -4.99 116.67 111.51 2cre s ASP 30 Ca 0.18 -0.29 -0.29 0.00 0.71 0.00 0.00 52.55 52.85 2cre s ASP 30 Cb -0.08 -0.62 0.01 0.00 1.01 0.00 0.00 42.92 43.24 2cre s ASP 30 CO 0.37 -0.18 1.24 -0.63 0.21 0.00 0.00 175.17 176.18 2cre s ILE 31 N 1.85 4.18 -0.02 0.77 -1.09 -1.26 -2.86 121.20 122.77 2cre s ILE 31 Ca 0.04 1.30 -0.08 0.00 -2.23 0.00 0.00 60.65 59.67 2cre s ILE 31 Cb -0.13 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 2cre s ILE 31 CO -0.07 -0.64 0.27 -0.76 -1.23 0.00 0.00 174.94 172.51 2cre s LEU 32 N 4.44 4.39 -0.59 2.97 2.01 0.02 -4.93 118.68 126.99 2cre s LEU 32 Ca 0.53 0.63 -0.17 0.00 0.01 0.00 0.00 54.13 55.13 2cre s LEU 32 Cb -0.13 -2.51 0.13 0.00 0.01 0.00 0.00 46.19 43.69 2cre s LEU 32 CO 0.25 0.30 0.59 -0.89 1.01 0.00 0.00 176.35 177.61 2cre s THR 33 N -1.19 5.15 -0.59 5.49 2.01 -1.25 -0.35 115.64 124.90 2cre s THR 33 Ca 0.24 -1.49 -0.26 0.00 0.31 0.00 0.00 61.69 60.49 2cre s THR 33 Cb -0.14 -4.40 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 2cre s THR 33 CO 0.13 -0.96 2.20 -0.63 -0.69 0.00 0.00 174.62 174.66 2cre s ILE 34 N 1.72 3.15 0.01 1.82 1.01 0.91 -2.66 121.20 127.16 2cre s ILE 34 Ca 0.07 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 2cre s ILE 34 Cb -0.26 -3.39 -0.17 0.00 0.01 0.00 0.00 42.46 38.65 2cre s ILE 34 CO 0.02 -0.37 1.31 -0.07 0.00 0.00 0.00 174.94 175.83 2cre h LEU 35 N 18.82 -0.27 -7.87 2.97 3.38 -0.79 0.14 115.31 131.69 2cre h LEU 35 Ca -0.19 -0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.25 2cre h LEU 35 Cb 1.18 0.07 -0.29 0.00 0.09 0.00 0.00 40.66 41.71 2cre h LEU 35 CO 1.17 0.07 -0.75 -1.83 0.09 0.00 0.00 178.44 177.18 2cre s GLU 36 N -4.82 0.42 -0.12 1.13 -1.05 -1.21 -4.00 118.70 109.04 2cre s GLU 36 Ca -0.14 -0.16 -0.08 0.00 -0.15 0.00 0.00 54.97 54.44 2cre s GLU 36 Cb 0.03 -0.42 -0.26 0.00 -0.44 0.00 0.00 34.13 33.04 2cre s GLU 36 CO 0.58 0.08 0.36 1.04 0.95 0.00 0.00 175.26 178.27 2cre n GLN 37 N 3.10 0.75 -2.26 -4.83 6.02 -1.26 -3.16 117.38 115.74 2cre n GLN 37 Ca -0.14 0.28 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 2cre n GLN 37 Cb 0.57 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 2cre n GLN 37 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2cre s HIS 38 N -2.55 2.07 -0.40 1.08 3.76 -1.26 -4.86 115.29 113.13 2cre s HIS 38 Ca -0.23 0.55 0.02 0.00 -0.15 0.00 0.00 55.06 55.25 2cre s HIS 38 Cb 0.07 -4.29 0.12 0.00 1.11 0.00 0.00 32.58 29.59 2cre s HIS 38 CO 0.76 -2.20 0.18 0.08 -0.85 0.00 0.00 174.74 172.72 2cre s VAL 39 N 6.89 1.46 0.01 -0.90 1.01 -1.26 -4.99 120.40 122.63 2cre s VAL 39 Ca 0.59 -2.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 2cre s VAL 39 Cb -0.13 -2.05 -0.17 0.00 0.00 0.00 0.00 36.38 34.03 2cre s VAL 39 CO 0.25 -0.80 1.30 1.55 0.00 0.00 0.00 175.10 177.40 2cre h PRO 40 N 7.16 0.18 -1.01 2.72 0.13 -1.95 -3.12 132.00 136.11 2cre h PRO 40 Ca -0.05 -0.10 0.28 0.00 -0.87 0.00 0.00 66.00 65.26 2cre h PRO 40 Cb 0.96 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 2cre h PRO 40 CO 0.50 0.62 0.70 1.05 -0.23 0.00 0.00 178.00 180.64 2cre h GLU 41 N -0.25 0.14 -3.45 0.86 4.11 -2.01 -3.32 114.58 110.65 2cre h GLU 41 Ca 0.01 -0.01 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 2cre h GLU 41 Cb 0.58 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.40 2cre h GLU 41 CO 0.02 0.09 -0.76 -1.12 0.07 0.00 0.00 179.01 177.31 2cre s SER 42 N -5.42 3.58 -0.25 3.06 0.01 -1.18 -5.10 113.70 108.40 2cre s SER 42 Ca -0.06 -1.30 -0.29 0.00 1.31 0.00 0.00 55.95 55.60 2cre s SER 42 Cb 0.23 -0.70 -0.00 0.00 0.21 0.00 0.00 66.02 65.75 2cre s SER 42 CO 0.79 -0.38 1.29 -1.83 0.41 0.00 0.00 173.24 173.52 2cre s GLU 43 N 1.77 4.02 0.00 12.44 4.04 -1.24 -3.18 118.70 136.54 2cre s GLU 43 Ca 0.06 1.40 0.00 0.00 0.04 0.00 0.00 54.97 56.47 2cre s GLU 43 Cb -0.17 -3.84 0.00 0.00 0.02 0.00 0.00 34.13 30.14 2cre s GLU 43 CO -0.21 -0.98 0.00 0.41 -1.84 0.00 0.00 175.26 172.64 2cre n GLY 44 N 4.07 1.43 3.14 -3.83 0.00 -1.26 -5.10 105.19 103.64 2cre n GLY 44 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.03 0.74 -0.02 1.61 0.52 -1.19 -3.44 118.94 115.14 2cre s TRP 45 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 56.10 55.19 2cre s TRP 45 Cb 0.00 -0.46 -0.00 0.00 -1.15 0.00 0.00 33.47 31.85 2cre s TRP 45 CO 0.00 -0.24 -0.11 -1.58 0.02 0.00 0.00 176.95 175.04 2cre s TRP 46 N -3.69 1.11 -0.79 -1.98 0.51 0.21 -4.61 118.94 109.68 2cre s TRP 46 Ca 0.09 -0.25 -0.22 0.00 -2.12 0.00 0.00 56.10 53.61 2cre s TRP 46 Cb 0.06 -0.75 0.09 0.00 -0.81 0.00 0.00 33.47 32.06 2cre s TRP 46 CO -0.07 -0.07 1.09 0.21 -0.51 0.00 0.00 176.95 177.61 2cre s LYS 47 N -0.06 3.33 0.40 4.98 2.47 -1.19 0.58 119.74 130.26 2cre s LYS 47 Ca 0.01 -1.14 0.08 0.00 -1.56 0.00 0.00 55.97 53.35 2cre s LYS 47 Cb -0.07 -4.58 -0.02 0.00 -1.46 0.00 0.00 37.83 31.70 2cre s LYS 47 CO 0.00 -1.87 0.40 0.00 0.16 0.00 0.00 175.35 174.05 2cre s LEU 49 N -4.15 1.57 -0.10 0.00 1.98 -1.09 -2.55 118.68 114.34 2cre s LEU 49 Ca 0.48 -0.38 -0.05 0.00 -2.89 0.00 0.00 54.13 51.29 2cre s LEU 49 Cb -0.05 -1.00 0.05 0.00 0.66 0.00 0.00 46.19 45.85 2cre s LEU 49 CO 0.29 -0.02 0.24 -0.22 -1.89 0.00 0.00 176.35 174.74 2cre s LEU 50 N 1.18 0.38 -1.70 -0.68 2.96 -1.26 -3.90 118.68 115.66 2cre s LEU 50 Ca -0.03 0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 54.25 2cre s LEU 50 Cb -0.14 0.69 0.13 0.00 0.50 0.00 0.00 46.19 47.37 2cre s LEU 50 CO -0.04 -0.17 0.45 1.41 -1.32 0.00 0.00 176.35 176.68 2cre n HIS 51 N 4.33 -1.37 -3.30 5.38 8.25 -1.26 -0.37 115.22 126.87 2cre n HIS 51 Ca -0.24 0.70 -0.16 0.00 -0.26 0.00 0.00 57.72 57.76 2cre n HIS 51 Cb 0.53 -2.58 0.08 0.00 1.12 0.00 0.00 29.99 29.13 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 -1.68 -0.38 0.18 -1.41 0.00 -1.26 -4.97 105.19 95.67 2cre n GLY 52 Ca -0.07 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.81 0.50 -3.38 1.61 5.12 0.50 -5.04 116.66 112.15 2cre n ARG 53 Ca -0.25 0.21 -0.17 0.00 -1.93 0.00 0.00 57.85 55.71 2cre n ARG 53 Cb 0.65 -1.37 0.08 0.00 -1.16 0.00 0.00 32.46 30.66 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 -4.32 -5.31 -3.58 5.56 6.02 -1.24 -4.94 117.38 109.56 2cre n GLN 54 Ca -0.23 0.85 -0.19 0.00 -0.01 0.00 0.00 57.00 57.42 2cre n GLN 54 Cb 0.58 -5.84 -0.04 0.00 1.02 0.00 0.00 30.24 25.96 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 -1.17 3.77 3.93 1.08 0.00 -1.06 -4.95 105.19 106.80 2cre n GLY 55 Ca -0.23 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.29 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 3.57 -0.09 0.99 1.43 0.20 -1.59 118.68 123.19 2cre s LEU 56 Ca 0.02 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 2cre s LEU 56 Cb 0.00 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.85 2cre s LEU 56 CO 0.02 -0.74 0.33 0.00 0.23 0.00 0.00 176.35 176.19 2cre s ALA 57 N -2.68 -0.83 -0.48 4.21 0.00 0.19 0.51 121.76 122.69 2cre s ALA 57 Ca 0.49 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 2cre s ALA 57 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2cre s ALA 57 CO 0.41 -0.19 1.78 -1.25 0.00 0.00 0.00 175.76 176.50 2cre s PRO 58 N -0.29 3.02 0.51 0.00 0.04 -1.26 0.64 135.00 137.66 2cre s PRO 58 Ca -0.04 0.96 0.27 0.00 0.04 0.00 0.00 61.00 62.22 2cre s PRO 58 Cb -0.03 -4.27 1.45 0.00 0.04 0.00 0.00 34.50 31.69 2cre s PRO 58 CO 0.02 -2.25 1.79 0.00 0.04 0.00 0.00 177.00 176.60 2cre h ALA 59 N 13.61 1.17 0.00 8.56 0.00 -1.88 0.27 119.26 140.99 2cre h ALA 59 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2cre h ALA 59 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cre h ALA 59 CO 1.13 -0.17 -0.28 -0.91 0.00 0.00 0.00 179.25 179.02 2cre h ASN 60 N 0.00 0.00 -0.32 0.00 4.21 -1.88 -2.89 115.58 114.70 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 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2cre h ASN 60 CO 0.00 0.28 0.00 0.54 -1.29 0.00 0.00 177.43 176.96 2cre n ARG 61 N -3.39 2.21 -4.03 0.81 1.74 0.93 -4.97 116.66 109.96 2cre n ARG 61 Ca 0.00 -2.00 -0.28 0.00 -0.77 0.00 0.00 57.85 54.81 2cre n ARG 61 Cb 0.48 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.16 3.97 -0.28 0.55 2.01 -1.08 -2.64 118.68 120.04 2cre s LEU 62 Ca 0.29 0.00 0.02 0.00 0.01 0.00 0.00 54.13 54.45 2cre s LEU 62 Cb 0.17 -2.59 0.07 0.00 0.01 0.00 0.00 46.19 43.85 2cre s LEU 62 CO 0.23 0.10 -0.04 -1.58 1.01 0.00 0.00 176.35 176.07 2cre s GLN 63 N -2.89 1.75 -0.15 1.70 0.74 -0.86 -4.91 119.66 115.03 2cre s GLN 63 Ca 0.32 -1.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.08 2cre s GLN 63 Cb -0.11 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 2cre s GLN 63 CO 0.25 -0.70 1.62 0.42 -0.55 0.00 0.00 175.29 176.32 2cre s ILE 64 N 1.17 3.68 -0.26 -2.34 -1.09 -1.26 -1.79 121.20 119.32 2cre s ILE 64 Ca -0.02 0.80 -0.12 0.00 -2.23 0.00 0.00 60.65 59.08 2cre s ILE 64 Cb -0.19 -3.62 -0.12 0.00 -1.58 0.00 0.00 42.46 36.95 2cre s ILE 64 CO -0.08 -0.19 -0.33 0.18 -1.23 0.00 0.00 174.94 173.30 2cre n LEU 65 N 7.87 1.95 -4.48 2.97 4.77 -1.22 -5.01 117.00 123.86 2cre n LEU 65 Ca 0.18 0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 56.14 2cre n LEU 65 Cb 0.44 -0.78 0.26 0.00 -2.33 0.00 0.00 43.42 41.01 2cre n LEU 65 CO 0.63 0.58 0.54 -0.94 -1.33 0.00 0.00 177.39 176.87 2cre s SER 66 N -7.28 0.06 0.10 -1.43 1.04 -1.25 -5.08 113.70 99.85 2cre s SER 66 Ca -0.36 0.68 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2cre s SER 66 Cb 0.14 -0.93 -0.00 0.00 0.10 0.00 0.00 66.02 65.32 2cre s SER 66 CO 0.47 -4.66 0.04 0.61 0.98 0.00 0.00 173.24 170.68 2cre n GLY 67 N -0.07 3.90 3.68 7.32 0.00 -1.26 -5.00 105.19 113.75 2cre n GLY 67 Ca 0.14 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.37 0.48 -0.20 1.61 0.04 -1.26 -5.02 135.00 128.28 2cre s PRO 68 Ca 0.05 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.48 2cre s PRO 68 Cb 0.00 -1.74 -0.20 0.00 0.04 0.00 0.00 34.50 32.61 2cre s PRO 68 CO 0.04 -2.71 0.13 -1.13 0.04 0.00 0.00 177.00 173.37 2cre n SER 69 N -4.16 1.95 -3.83 6.66 3.41 -1.26 -4.93 113.62 111.45 2cre n SER 69 Ca 0.05 0.32 -0.54 0.00 -0.26 0.00 0.00 58.87 58.44 2cre n SER 69 Cb 0.57 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 2cre n SER 69 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cre n SER 70 N -4.10 0.86 0.00 4.04 2.88 -1.26 -5.33 113.62 110.71 2cre n SER 70 Ca -0.37 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2cre n SER 70 Cb 0.82 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2cre n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42