#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 -0.43 -0.40 1.61 1.04 -1.26 -5.12 113.70 109.14 2cre s SER 2 Ca 0.00 0.82 -0.28 0.00 0.48 0.00 0.00 55.95 56.97 2cre s SER 2 Cb 0.00 0.83 -0.01 0.00 0.10 0.00 0.00 66.02 66.94 2cre s SER 2 CO 0.00 -0.16 1.66 -0.44 0.98 0.00 0.00 173.24 175.28 2cre s SER 3 N 0.15 5.97 0.00 7.02 0.01 -1.26 -4.80 113.70 120.80 2cre s SER 3 Ca 0.03 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2cre s SER 3 Cb -0.05 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2cre s SER 3 CO -0.06 -1.70 0.00 0.61 0.41 0.00 0.00 173.24 172.50 2cre n GLY 4 N 5.34 3.10 3.19 3.44 0.00 -1.26 -5.11 105.19 113.90 2cre n GLY 4 Ca 0.20 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 2.34 -0.11 1.61 1.04 -1.26 -5.11 113.70 112.20 2cre s SER 5 Ca 0.00 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2cre s SER 5 Cb 0.00 -0.39 -0.00 0.00 0.10 0.00 0.00 66.02 65.73 2cre s SER 5 CO 0.00 0.22 -0.20 -0.55 0.98 0.00 0.00 173.24 173.69 2cre s SER 6 N -0.32 3.37 0.14 7.02 0.15 -1.26 -5.09 113.70 117.71 2cre s SER 6 Ca 0.04 -0.49 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 2cre s SER 6 Cb -0.09 -1.48 -0.10 0.00 -1.71 0.00 0.00 66.02 62.65 2cre s SER 6 CO 0.00 0.15 1.62 -0.83 1.20 0.00 0.00 173.24 175.39 2cre s GLY 7 N 0.40 1.51 0.84 9.45 0.00 -1.26 -5.00 107.32 113.26 2cre s GLY 7 Ca -0.15 1.35 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 2cre s GLY 7 CO 0.07 2.76 1.21 1.08 0.00 0.00 0.00 173.10 178.22 2cre s LEU 8 N 1.67 2.53 -0.14 0.66 2.01 -0.67 -4.78 118.68 119.97 2cre s LEU 8 Ca 0.72 0.68 -0.01 0.00 0.01 0.00 0.00 54.13 55.53 2cre s LEU 8 Cb -0.43 -3.07 0.03 0.00 0.01 0.00 0.00 46.19 42.73 2cre s LEU 8 CO 0.32 -2.09 -0.06 -0.76 1.01 0.00 0.00 176.35 174.76 2cre s LEU 9 N -5.65 1.36 0.34 1.79 1.43 -1.26 0.50 118.68 117.18 2cre s LEU 9 Ca 0.65 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 2cre s LEU 9 Cb -0.10 -0.85 -0.06 0.00 0.03 0.00 0.00 46.19 45.21 2cre s LEU 9 CO 0.50 -0.16 -0.09 0.00 0.23 0.00 0.00 176.35 176.83 2cre s ALA 10 N 1.69 2.98 0.32 4.21 0.00 -0.70 -3.71 121.76 126.53 2cre s ALA 10 Ca 0.03 -2.05 0.07 0.00 0.00 0.00 0.00 51.96 50.02 2cre s ALA 10 Cb -0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2cre s ALA 10 CO -0.08 0.10 0.28 0.50 0.00 0.00 0.00 175.76 176.56 2cre s ARG 11 N -3.62 2.79 -0.42 0.00 3.52 -0.10 -1.21 118.95 119.91 2cre s ARG 11 Ca 0.33 -1.23 -0.04 0.00 -0.13 0.00 0.00 55.73 54.65 2cre s ARG 11 Cb 0.01 -2.51 0.11 0.00 -1.56 0.00 0.00 34.95 31.00 2cre s ARG 11 CO 0.17 0.16 0.24 0.00 -0.81 0.00 0.00 175.30 175.05 2cre s ALA 12 N -2.26 3.21 0.23 6.12 0.00 -1.22 -0.45 121.76 127.39 2cre s ALA 12 Ca 0.39 -2.54 0.36 0.00 0.00 0.00 0.00 51.96 50.17 2cre s ALA 12 Cb -0.06 -2.51 1.68 0.00 0.00 0.00 0.00 23.12 22.23 2cre s ALA 12 CO 0.26 -1.83 2.08 -0.07 0.00 0.00 0.00 175.76 176.21 2cre h LEU 13 N 8.14 0.00 -7.18 0.00 3.38 -1.69 -2.99 115.31 114.98 2cre h LEU 13 Ca -0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2cre h LEU 13 Cb 1.05 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.55 2cre h LEU 13 CO 0.74 0.00 -0.22 -0.31 0.09 0.00 0.00 178.44 178.74 2cre s TYR 14 N -3.79 -0.69 1.14 1.13 1.51 -1.25 -4.92 117.35 110.47 2cre s TYR 14 Ca -0.01 1.46 -0.17 0.00 -1.01 0.00 0.00 57.07 57.34 2cre s TYR 14 Cb 0.10 0.33 0.18 0.00 -0.11 0.00 0.00 41.96 42.46 2cre s TYR 14 CO 0.47 -0.37 0.28 -0.40 -1.11 0.00 0.00 175.55 174.42 2cre n ASP 15 N 4.15 -2.80 -3.73 2.29 5.68 -1.26 -4.65 116.55 116.23 2cre n ASP 15 Ca -0.22 -0.32 -0.14 0.00 -0.50 0.00 0.00 54.79 53.61 2cre n ASP 15 Cb 0.56 -0.91 -0.14 0.00 -1.14 0.00 0.00 41.12 39.49 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 -2.08 -0.06 -0.81 -1.12 2.47 0.16 -4.89 114.94 108.61 2cre s ASN 16 Ca 0.51 0.37 -0.01 0.00 0.42 0.00 0.00 52.86 54.16 2cre s ASN 16 Cb -0.11 0.27 0.20 0.00 -1.45 0.00 0.00 41.25 40.17 2cre s ASN 16 CO 0.54 -0.16 0.66 0.00 -3.72 0.00 0.00 177.10 174.41 2cre s PRO 18 N -1.05 3.51 -0.02 0.00 0.04 -1.26 -4.97 135.00 131.26 2cre s PRO 18 Ca 0.25 1.67 0.22 0.00 0.04 0.00 0.00 61.00 63.18 2cre s PRO 18 Cb -0.10 -2.16 -0.29 0.00 0.04 0.00 0.00 34.50 31.99 2cre s PRO 18 CO -0.11 -0.73 0.63 -3.47 0.04 0.00 0.00 177.00 173.36 2cre n ASP 19 N -0.99 0.32 -4.67 6.66 2.03 -1.26 -4.99 116.55 113.66 2cre n ASP 19 Ca 0.10 -0.29 -0.33 0.00 0.52 0.00 0.00 54.79 54.79 2cre n ASP 19 Cb 0.50 1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 42.47 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cre h SER 21 N 1.34 0.67 -0.60 0.00 0.02 -2.01 -3.36 113.55 109.60 2cre h SER 21 Ca -0.42 -0.77 0.06 0.00 -0.84 0.00 0.00 61.79 59.81 2cre h SER 21 Cb 1.32 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.55 2cre h SER 21 CO 0.70 1.62 -0.56 -0.78 -1.14 0.00 0.00 176.83 176.67 2cre h ASP 22 N 0.12 -1.93 -3.71 3.07 1.82 -1.96 -3.42 116.42 110.41 2cre h ASP 22 Ca -0.25 0.27 -0.47 0.00 -0.39 0.00 0.00 57.03 56.19 2cre h ASP 22 Cb 2.10 0.81 0.20 0.00 0.68 0.00 0.00 39.33 43.13 2cre h ASP 22 CO 0.23 -0.33 0.11 -1.61 -1.61 0.00 0.00 179.24 176.03 2cre s GLU 23 N -5.53 -0.04 -0.04 0.28 2.02 -1.26 -0.58 118.70 113.55 2cre s GLU 23 Ca -0.13 1.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 2cre s GLU 23 Cb 0.09 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 2cre s GLU 23 CO 0.60 -3.21 0.01 -1.17 0.02 0.00 0.00 175.26 171.51 2cre s LEU 24 N -6.92 3.57 -0.44 1.80 0.20 0.50 -4.20 118.68 113.19 2cre s LEU 24 Ca 0.67 0.08 -0.08 0.00 0.69 0.00 0.00 54.13 55.49 2cre s LEU 24 Cb -0.24 -1.94 0.10 0.00 -0.43 0.00 0.00 46.19 43.69 2cre s LEU 24 CO 0.62 0.33 0.29 0.00 -0.29 0.00 0.00 176.35 177.30 2cre s ALA 25 N -0.99 3.32 0.10 5.97 0.00 -1.26 -4.53 121.76 124.37 2cre s ALA 25 Ca 0.17 -2.38 0.05 0.00 0.00 0.00 0.00 51.96 49.79 2cre s ALA 25 Cb -0.11 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2cre s ALA 25 CO 0.06 -1.79 -0.13 -0.59 0.00 0.00 0.00 175.76 173.32 2cre s PHE 26 N 1.36 1.25 0.17 0.00 -0.12 -1.24 -4.98 117.98 114.41 2cre s PHE 26 Ca 0.05 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2cre s PHE 26 Cb -0.25 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 2cre s PHE 26 CO -0.00 0.08 -0.05 -1.12 -0.05 0.00 0.00 175.22 174.08 2cre s SER 27 N -2.26 4.52 0.45 1.98 0.01 -1.26 0.37 113.70 117.51 2cre s SER 27 Ca 0.05 -0.47 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 2cre s SER 27 Cb -0.06 -0.87 -0.14 0.00 0.21 0.00 0.00 66.02 65.16 2cre s SER 27 CO 0.02 0.11 0.25 -1.14 0.41 0.00 0.00 173.24 172.89 2cre n ARG 28 N 0.05 0.24 -2.64 12.44 3.00 -1.26 -2.40 116.66 126.10 2cre n ARG 28 Ca -0.11 0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 57.71 2cre n ARG 28 Cb 0.55 -1.25 0.02 0.00 0.00 0.00 0.00 32.46 31.78 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 2.12 -0.03 3.01 5.14 0.00 -1.13 -4.96 105.19 109.35 2cre n GLY 29 Ca 0.11 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.79 3.19 -0.26 1.61 1.11 -1.01 -4.99 116.67 113.54 2cre s ASP 30 Ca 0.15 -0.77 -0.29 0.00 0.18 0.00 0.00 52.55 51.83 2cre s ASP 30 Cb -0.07 -1.24 -0.00 0.00 1.07 0.00 0.00 42.92 42.68 2cre s ASP 30 CO 0.19 -0.11 1.30 -0.63 1.18 0.00 0.00 175.17 177.10 2cre s ILE 31 N 1.41 4.16 -0.09 0.77 -1.09 -1.26 -3.43 121.20 121.66 2cre s ILE 31 Ca 0.01 1.33 -0.06 0.00 -2.23 0.00 0.00 60.65 59.70 2cre s ILE 31 Cb -0.15 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2cre s ILE 31 CO -0.09 -0.38 0.15 -0.76 -1.23 0.00 0.00 174.94 172.62 2cre s LEU 32 N 4.19 4.36 -0.66 2.97 2.01 -0.35 -4.96 118.68 126.24 2cre s LEU 32 Ca 0.56 0.43 -0.19 0.00 0.01 0.00 0.00 54.13 54.95 2cre s LEU 32 Cb -0.18 -2.19 0.11 0.00 0.01 0.00 0.00 46.19 43.94 2cre s LEU 32 CO 0.21 0.37 0.78 -0.89 1.01 0.00 0.00 176.35 177.84 2cre s THR 33 N -1.10 4.84 -0.70 5.49 2.01 -1.25 -1.73 115.64 123.20 2cre s THR 33 Ca 0.18 -1.15 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 2cre s THR 33 Cb -0.12 -4.54 -0.10 0.00 0.01 0.00 0.00 72.50 67.75 2cre s THR 33 CO 0.08 -1.19 2.34 -0.63 -0.69 0.00 0.00 174.62 174.52 2cre s ILE 34 N 2.57 3.07 0.12 1.82 1.01 0.18 -2.69 121.20 127.29 2cre s ILE 34 Ca 0.15 -0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2cre s ILE 34 Cb -0.20 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 2cre s ILE 34 CO 0.03 -0.16 1.76 -0.07 0.00 0.00 0.00 174.94 176.51 2cre h LEU 35 N 20.90 0.30 -7.00 2.97 3.38 -0.76 -1.79 115.31 133.31 2cre h LEU 35 Ca -0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2cre h LEU 35 Cb 1.09 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.56 2cre h LEU 35 CO 1.08 0.25 0.05 -1.83 0.09 0.00 0.00 178.44 178.08 2cre s GLU 36 N -6.05 0.74 -0.04 1.13 -1.05 -1.19 -4.62 118.70 107.61 2cre s GLU 36 Ca -0.13 1.16 -0.09 0.00 -0.15 0.00 0.00 54.97 55.76 2cre s GLU 36 Cb 0.09 0.21 -0.30 0.00 -0.44 0.00 0.00 34.13 33.69 2cre s GLU 36 CO 0.70 -0.14 0.70 1.96 0.95 0.00 0.00 175.26 179.44 2cre h GLN 37 N 6.44 0.35 -5.77 -4.83 4.20 -1.90 -3.16 115.11 110.46 2cre h GLN 37 Ca -0.30 -0.60 -0.38 0.00 0.06 0.00 0.00 58.65 57.43 2cre h GLN 37 Cb 1.21 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 2cre h GLN 37 CO 0.13 1.25 1.10 -1.58 -0.67 0.00 0.00 178.83 179.06 2cre s HIS 38 N -2.59 1.52 -0.38 2.96 2.46 -1.26 -4.87 115.29 113.13 2cre s HIS 38 Ca -0.14 1.05 0.01 0.00 0.47 0.00 0.00 55.06 56.44 2cre s HIS 38 Cb 0.06 -3.90 0.12 0.00 -0.13 0.00 0.00 32.58 28.73 2cre s HIS 38 CO 0.85 -2.12 0.17 0.08 -2.47 0.00 0.00 174.74 171.25 2cre s VAL 39 N 10.64 1.27 -2.00 0.89 1.01 -1.26 -4.96 120.40 125.99 2cre s VAL 39 Ca 0.77 -2.11 0.15 0.00 0.00 0.00 0.00 61.98 60.79 2cre s VAL 39 Cb -0.12 -1.92 0.42 0.00 0.00 0.00 0.00 36.38 34.76 2cre s VAL 39 CO 0.15 -0.79 1.29 -0.81 0.00 0.00 0.00 175.10 174.94 2cre n PRO 40 N 4.09 0.49 -0.46 2.72 -0.04 -1.26 -2.09 135.00 138.44 2cre n PRO 40 Ca 0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2cre n PRO 40 Cb 0.38 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 2cre n PRO 40 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cre n GLU 41 N -0.97 3.25 -3.58 0.54 1.02 -1.26 -4.98 120.64 114.67 2cre n GLU 41 Ca 0.11 -2.73 -0.15 0.00 -0.02 0.00 0.00 57.16 54.37 2cre n GLU 41 Cb 0.05 -1.78 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 2cre n GLU 41 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2cre s SER 42 N -1.48 -0.48 -0.36 1.62 1.04 -0.89 -5.13 113.70 108.01 2cre s SER 42 Ca 0.41 0.32 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 2cre s SER 42 Cb 0.30 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.99 2cre s SER 42 CO 0.13 -0.66 0.13 -1.61 0.98 0.00 0.00 173.24 172.21 2cre s GLU 43 N -1.96 2.24 -0.60 4.02 0.41 -1.26 -4.62 118.70 116.92 2cre s GLU 43 Ca -0.08 -1.55 -0.03 0.00 -0.41 0.00 0.00 54.97 52.90 2cre s GLU 43 Cb -0.01 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 2cre s GLU 43 CO 0.02 -0.87 0.45 0.41 -0.49 0.00 0.00 175.26 174.78 2cre n GLY 44 N 4.64 0.28 3.53 -1.39 0.00 -1.26 -5.03 105.19 105.97 2cre n GLY 44 Ca -0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.06 2.26 -0.01 1.61 0.52 -1.26 -2.61 118.94 116.38 2cre s TRP 45 Ca 0.22 -0.73 0.00 0.00 0.02 0.00 0.00 56.10 55.61 2cre s TRP 45 Cb -0.10 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 2cre s TRP 45 CO 0.27 0.32 -0.00 -1.58 0.02 0.00 0.00 176.95 175.98 2cre s TRP 46 N -2.91 0.17 -0.65 -1.98 0.51 0.38 -4.73 118.94 109.73 2cre s TRP 46 Ca 0.34 0.02 -0.21 0.00 -2.12 0.00 0.00 56.10 54.12 2cre s TRP 46 Cb 0.08 -0.23 0.08 0.00 -0.81 0.00 0.00 33.47 32.59 2cre s TRP 46 CO 0.16 -0.06 0.90 0.21 -0.51 0.00 0.00 176.95 177.65 2cre s LYS 47 N 0.54 3.10 0.36 4.98 2.20 -1.19 0.83 119.74 130.55 2cre s LYS 47 Ca -0.05 -1.00 0.08 0.00 -0.36 0.00 0.00 55.97 54.65 2cre s LYS 47 Cb -0.07 -4.26 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 2cre s LYS 47 CO -0.01 -1.74 0.10 0.00 -0.36 0.00 0.00 175.35 173.33 2cre s LEU 49 N -3.81 2.10 -0.13 0.00 1.98 -1.09 -2.69 118.68 115.03 2cre s LEU 49 Ca 0.37 -0.58 -0.08 0.00 -2.89 0.00 0.00 54.13 50.96 2cre s LEU 49 Cb 0.00 -1.42 0.05 0.00 0.66 0.00 0.00 46.19 45.48 2cre s LEU 49 CO 0.21 0.13 0.32 -0.22 -1.89 0.00 0.00 176.35 174.91 2cre s LEU 50 N 0.52 0.30 -1.20 -0.68 2.96 -1.26 -3.87 118.68 115.46 2cre s LEU 50 Ca -0.14 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 2cre s LEU 50 Cb -0.17 1.05 0.15 0.00 0.50 0.00 0.00 46.19 47.72 2cre s LEU 50 CO 0.05 -0.16 0.38 1.41 -1.32 0.00 0.00 176.35 176.70 2cre n HIS 51 N 3.95 -1.46 -2.75 5.38 8.25 -1.26 0.18 115.22 127.52 2cre n HIS 51 Ca -0.22 0.44 -0.10 0.00 -0.26 0.00 0.00 57.72 57.58 2cre n HIS 51 Cb 0.55 -1.54 0.05 0.00 1.12 0.00 0.00 29.99 30.17 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 -0.85 -0.08 0.23 -1.41 0.00 -1.26 -5.00 105.19 96.82 2cre n GLY 52 Ca 0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.73 0.48 -3.45 1.61 5.12 0.13 -5.04 116.66 112.78 2cre n ARG 53 Ca -0.14 0.20 -0.18 0.00 -1.93 0.00 0.00 57.85 55.81 2cre n ARG 53 Cb 0.59 -1.33 0.08 0.00 -1.16 0.00 0.00 32.46 30.64 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 -4.24 -6.05 -4.44 5.56 6.02 -1.24 -4.95 117.38 108.04 2cre n GLN 54 Ca -0.26 0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 57.26 2cre n GLN 54 Cb 0.60 -5.77 -0.06 0.00 1.02 0.00 0.00 30.24 26.03 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 -1.20 3.54 3.94 1.08 0.00 -1.10 -4.95 105.19 106.51 2cre n GLY 55 Ca -0.27 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.19 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 3.41 -0.12 0.99 1.43 0.25 -1.85 118.68 122.80 2cre s LEU 56 Ca 0.04 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2cre s LEU 56 Cb 0.00 -3.32 0.04 0.00 0.03 0.00 0.00 46.19 42.94 2cre s LEU 56 CO 0.03 -0.92 0.40 0.00 0.23 0.00 0.00 176.35 176.09 2cre s ALA 57 N -2.79 -1.00 -0.64 4.21 0.00 0.24 0.19 121.76 121.98 2cre s ALA 57 Ca 0.52 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 2cre s ALA 57 Cb -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2cre s ALA 57 CO 0.41 -0.22 1.87 -1.25 0.00 0.00 0.00 175.76 176.58 2cre s PRO 58 N -0.22 2.61 0.66 0.00 0.04 -1.26 0.14 135.00 136.97 2cre s PRO 58 Ca -0.04 0.54 0.16 0.00 0.04 0.00 0.00 61.00 61.70 2cre s PRO 58 Cb -0.03 -4.45 0.87 0.00 0.04 0.00 0.00 34.50 30.93 2cre s PRO 58 CO 0.02 -2.79 1.49 0.00 0.04 0.00 0.00 177.00 175.76 2cre h ALA 59 N 14.70 1.65 -0.53 8.56 0.00 -1.79 0.54 119.26 142.39 2cre h ALA 59 Ca -0.23 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2cre h ALA 59 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2cre h ALA 59 CO 1.22 -0.65 -0.00 -0.97 0.00 0.00 0.00 179.25 178.85 2cre h ASN 60 N 0.00 0.87 -0.45 0.00 -0.73 -1.88 -2.30 115.58 111.09 2cre h ASN 60 Ca 0.00 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2cre h ASN 60 Cb 1.29 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.65 2cre h ASN 60 CO -0.00 0.93 0.00 0.54 -0.37 0.00 0.00 177.43 178.53 2cre n ARG 61 N -4.20 2.80 -4.20 6.67 1.74 0.19 -4.90 116.66 114.77 2cre n ARG 61 Ca 0.03 -1.95 -0.28 0.00 -0.77 0.00 0.00 57.85 54.88 2cre n ARG 61 Cb 0.32 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 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 -1.37 3.25 -0.28 0.55 2.01 -0.87 -1.77 118.68 120.20 2cre s LEU 62 Ca 0.35 -0.35 0.02 0.00 0.01 0.00 0.00 54.13 54.15 2cre s LEU 62 Cb 0.22 -1.96 0.08 0.00 0.01 0.00 0.00 46.19 44.54 2cre s LEU 62 CO 0.18 0.14 -0.00 -1.58 1.01 0.00 0.00 176.35 176.09 2cre s GLN 63 N -2.57 1.47 -0.20 1.70 0.74 0.40 -4.89 119.66 116.31 2cre s GLN 63 Ca 0.25 -1.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.10 2cre s GLN 63 Cb -0.10 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.31 2cre s GLN 63 CO 0.17 -0.75 1.56 0.42 -0.55 0.00 0.00 175.29 176.13 2cre s ILE 64 N 1.28 3.78 -0.53 -2.34 -1.09 -1.26 -0.93 121.20 120.12 2cre s ILE 64 Ca 0.01 0.90 -0.20 0.00 -2.23 0.00 0.00 60.65 59.13 2cre s ILE 64 Cb -0.19 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.01 2cre s ILE 64 CO -0.10 -0.27 0.67 -0.76 -1.23 0.00 0.00 174.94 173.25 2cre s LEU 65 N 4.81 4.96 -0.24 2.97 1.43 -1.24 -5.00 118.68 126.37 2cre s LEU 65 Ca 0.68 -0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2cre s LEU 65 Cb -0.25 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2cre s LEU 65 CO 0.27 -0.97 0.02 -0.94 0.23 0.00 0.00 176.35 174.97 2cre s SER 66 N 2.88 4.77 0.29 2.29 1.04 -1.26 -4.90 113.70 118.81 2cre s SER 66 Ca 0.16 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.31 2cre s SER 66 Cb -0.19 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.10 2cre s SER 66 CO 0.11 -0.03 0.16 0.61 0.98 0.00 0.00 173.24 175.07 2cre n GLY 67 N 4.85 1.26 3.77 7.32 0.00 -1.26 -5.09 105.19 116.05 2cre n GLY 67 Ca -0.17 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.67 2.56 0.61 1.61 0.04 -1.26 -5.05 135.00 130.84 2cre s PRO 68 Ca 0.11 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 2cre s PRO 68 Cb -0.01 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2cre s PRO 68 CO 0.07 -1.43 0.90 -1.12 0.04 0.00 0.00 177.00 175.47 2cre s SER 69 N -2.95 5.32 0.00 6.66 0.01 -1.26 -5.04 113.70 116.44 2cre s SER 69 Ca 0.64 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2cre s SER 69 Cb -0.19 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2cre s SER 69 CO 0.48 -1.22 0.00 -1.20 0.41 0.00 0.00 173.24 171.71 2cre n SER 70 N -2.62 0.07 0.00 2.44 7.64 -1.26 -5.35 113.62 114.54 2cre n SER 70 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2cre n SER 70 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2cre n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64