#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 4.61 -0.32 1.61 0.01 -1.26 -5.08 113.70 113.27 2cre s SER 2 Ca 0.00 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2cre s SER 2 Cb 0.00 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.45 2cre s SER 2 CO 0.00 -0.01 0.11 -0.55 0.41 0.00 0.00 173.24 173.20 2cre s SER 3 N 1.44 5.30 0.00 2.44 0.15 -1.26 -5.04 113.70 116.73 2cre s SER 3 Ca 0.05 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2cre s SER 3 Cb -0.15 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2cre s SER 3 CO -0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2cre n GLY 4 N 4.87 0.47 3.82 9.45 0.00 -1.26 -5.19 105.19 117.34 2cre n GLY 4 Ca -0.13 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 -0.10 -0.15 1.61 0.15 -1.26 -5.09 113.70 108.87 2cre s SER 5 Ca 0.00 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 55.93 2cre s SER 5 Cb 0.00 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2cre s SER 5 CO 0.00 -1.10 -0.20 -0.24 1.20 0.00 0.00 173.24 172.89 2cre n SER 6 N -0.87 1.15 -2.40 5.45 2.88 -1.26 -5.12 113.62 113.46 2cre n SER 6 Ca -0.05 0.20 -0.01 0.00 -1.33 0.00 0.00 58.87 57.67 2cre n SER 6 Cb 0.60 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2cre n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cre n GLY 7 N 2.06 -5.30 4.00 0.46 0.00 -1.26 -5.03 105.19 100.12 2cre n GLY 7 Ca -0.28 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2cre n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cre s LEU 8 N -0.57 3.19 -0.07 0.99 2.01 -0.62 -4.90 118.68 118.72 2cre s LEU 8 Ca -0.05 -0.36 0.01 0.00 0.01 0.00 0.00 54.13 53.73 2cre s LEU 8 Cb 0.00 -2.28 0.02 0.00 0.01 0.00 0.00 46.19 43.94 2cre s LEU 8 CO 0.15 -1.37 -0.08 -0.76 1.01 0.00 0.00 176.35 175.29 2cre s LEU 9 N -4.81 1.42 0.15 1.79 1.43 -1.26 -0.27 118.68 117.13 2cre s LEU 9 Ca 0.61 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2cre s LEU 9 Cb -0.08 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 2cre s LEU 9 CO 0.40 -0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.87 2cre s ALA 10 N 0.99 1.43 0.31 4.21 0.00 -0.30 -3.54 121.76 124.86 2cre s ALA 10 Ca -0.09 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 50.42 2cre s ALA 10 Cb -0.15 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2cre s ALA 10 CO 0.00 -0.16 0.36 0.50 0.00 0.00 0.00 175.76 176.47 2cre s ARG 11 N -3.79 3.00 -0.42 0.00 3.52 -0.98 -0.68 118.95 119.60 2cre s ARG 11 Ca 0.18 -1.08 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 2cre s ARG 11 Cb 0.04 -2.68 0.11 0.00 -1.56 0.00 0.00 34.95 30.86 2cre s ARG 11 CO 0.01 0.16 0.23 0.00 -0.81 0.00 0.00 175.30 174.89 2cre s ALA 12 N -2.19 3.19 0.24 6.12 0.00 -0.80 -1.77 121.76 126.56 2cre s ALA 12 Ca 0.41 -2.54 -0.04 0.00 0.00 0.00 0.00 51.96 49.78 2cre s ALA 12 Cb -0.08 -2.48 0.27 0.00 0.00 0.00 0.00 23.12 20.83 2cre s ALA 12 CO 0.29 -1.82 1.75 -0.07 0.00 0.00 0.00 175.76 175.91 2cre h LEU 13 N 8.11 0.87 -8.52 0.00 3.38 -1.85 -0.52 115.31 116.79 2cre h LEU 13 Ca -0.14 -0.20 -0.36 0.00 0.09 0.00 0.00 57.88 57.27 2cre h LEU 13 Cb 1.05 -0.23 -0.18 0.00 0.09 0.00 0.00 40.66 41.39 2cre h LEU 13 CO 0.72 0.89 -0.74 -0.31 0.09 0.00 0.00 178.44 179.09 2cre s TYR 14 N -5.11 1.21 0.09 1.13 1.51 -1.26 -4.70 117.35 110.22 2cre s TYR 14 Ca -0.10 -0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 55.05 2cre s TYR 14 Cb 0.15 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 2cre s TYR 14 CO 0.82 0.07 1.02 0.16 -1.11 0.00 0.00 175.55 176.51 2cre s ASP 15 N -2.43 7.37 -0.22 2.29 1.47 -1.26 -4.42 116.67 119.47 2cre s ASP 15 Ca 0.07 1.84 -0.11 0.00 1.18 0.00 0.00 52.55 55.53 2cre s ASP 15 Cb -0.04 -2.59 -0.05 0.00 -0.34 0.00 0.00 42.92 39.91 2cre s ASP 15 CO 0.01 -0.19 0.19 0.21 0.68 0.00 0.00 175.17 176.08 2cre s ASN 16 N 0.35 6.19 -0.93 2.11 2.47 0.11 -4.96 114.94 120.27 2cre s ASN 16 Ca 0.50 0.20 -0.04 0.00 0.42 0.00 0.00 52.86 53.94 2cre s ASN 16 Cb -0.25 -2.12 0.23 0.00 -1.45 0.00 0.00 41.25 37.66 2cre s ASN 16 CO 0.30 0.07 0.84 0.00 -3.72 0.00 0.00 177.10 174.59 2cre s PRO 18 N -1.25 1.74 -0.09 0.00 0.04 -1.26 -5.00 135.00 129.19 2cre s PRO 18 Ca 0.28 0.99 0.13 0.00 0.04 0.00 0.00 61.00 62.43 2cre s PRO 18 Cb -0.08 -1.85 0.23 0.00 0.04 0.00 0.00 34.50 32.84 2cre s PRO 18 CO -0.11 -1.95 1.12 -0.25 0.04 0.00 0.00 177.00 175.84 2cre n ASP 19 N -3.71 1.37 -3.22 6.66 8.00 -1.26 -5.03 116.55 119.36 2cre n ASP 19 Ca 0.08 -2.75 -0.14 0.00 0.71 0.00 0.00 54.79 52.69 2cre n ASP 19 Cb 0.54 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cre h SER 21 N 2.10 0.01 -0.51 0.00 0.02 -2.01 -3.36 113.55 109.80 2cre h SER 21 Ca -0.29 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2cre h SER 21 Cb 1.24 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 2cre h SER 21 CO 0.39 1.02 0.15 0.44 -1.14 0.00 0.00 176.83 177.69 2cre h ASP 22 N 0.00 0.75 -3.46 3.07 5.19 -1.97 -3.44 116.42 116.57 2cre h ASP 22 Ca -0.24 -0.22 -0.41 0.00 -0.62 0.00 0.00 57.03 55.54 2cre h ASP 22 Cb 1.97 -0.20 0.19 0.00 0.18 0.00 0.00 39.33 41.48 2cre h ASP 22 CO 0.09 0.77 0.10 -1.61 -3.12 0.00 0.00 179.24 175.47 2cre s GLU 23 N -5.37 -1.34 -0.02 3.56 8.01 -1.26 -0.17 118.70 122.11 2cre s GLU 23 Ca -0.13 0.01 0.07 0.00 0.01 0.00 0.00 54.97 54.93 2cre s GLU 23 Cb 0.12 -1.58 -0.02 0.00 -4.31 0.00 0.00 34.13 28.35 2cre s GLU 23 CO 0.79 -3.80 -0.22 -1.17 0.01 0.00 0.00 175.26 170.86 2cre s LEU 24 N -7.03 2.04 -0.39 1.80 0.20 0.23 -3.91 118.68 111.61 2cre s LEU 24 Ca 0.70 -0.41 -0.05 0.00 0.69 0.00 0.00 54.13 55.06 2cre s LEU 24 Cb -0.11 -1.17 0.09 0.00 -0.43 0.00 0.00 46.19 44.57 2cre s LEU 24 CO 0.57 0.26 0.19 0.00 -0.29 0.00 0.00 176.35 177.08 2cre s ALA 25 N -0.44 3.15 0.18 5.97 0.00 -1.26 -4.43 121.76 124.93 2cre s ALA 25 Ca 0.06 -2.27 0.06 0.00 0.00 0.00 0.00 51.96 49.81 2cre s ALA 25 Cb -0.09 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2cre s ALA 25 CO -0.00 -1.66 -0.11 -0.59 0.00 0.00 0.00 175.76 173.40 2cre s PHE 26 N 1.26 1.50 0.45 0.00 -0.71 -1.23 -4.99 117.98 114.26 2cre s PHE 26 Ca 0.04 -0.69 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 2cre s PHE 26 Cb -0.22 -0.75 -0.01 0.00 -1.21 0.00 0.00 43.02 40.83 2cre s PHE 26 CO -0.01 0.19 0.37 -1.54 -1.34 0.00 0.00 175.22 172.88 2cre s SER 27 N -3.25 4.84 0.54 1.98 1.04 -1.26 -0.72 113.70 116.87 2cre s SER 27 Ca 0.21 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 2cre s SER 27 Cb 0.02 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2cre s SER 27 CO 0.04 -0.77 1.22 -0.60 0.98 0.00 0.00 173.24 174.11 2cre s ARG 28 N -4.15 3.27 -0.91 4.02 3.00 -1.26 -3.20 118.95 119.72 2cre s ARG 28 Ca 0.44 1.88 -0.00 0.00 -1.00 0.00 0.00 55.73 57.04 2cre s ARG 28 Cb -0.02 -2.14 0.00 0.00 0.00 0.00 0.00 34.95 32.79 2cre s ARG 28 CO 0.26 -0.98 0.06 0.41 0.00 0.00 0.00 175.30 175.05 2cre n GLY 29 N 0.50 -0.06 3.38 8.12 0.00 -0.20 -4.99 105.19 111.95 2cre n GLY 29 Ca 0.11 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.57 3.69 -0.31 1.61 1.11 -1.19 -4.93 116.67 114.07 2cre s ASP 30 Ca 0.03 -0.33 -0.21 0.00 0.18 0.00 0.00 52.55 52.22 2cre s ASP 30 Cb -0.01 -0.98 -0.00 0.00 1.07 0.00 0.00 42.92 43.00 2cre s ASP 30 CO 0.04 0.28 0.68 -0.63 1.18 0.00 0.00 175.17 176.72 2cre s ILE 31 N -0.33 4.88 -0.12 0.77 -1.09 -1.26 -1.90 121.20 122.15 2cre s ILE 31 Ca 0.02 0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 59.32 2cre s ILE 31 Cb -0.13 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2cre s ILE 31 CO 0.02 -0.20 0.03 -0.76 -1.23 0.00 0.00 174.94 172.80 2cre s LEU 32 N 2.74 3.68 -0.65 2.97 2.01 0.14 -4.97 118.68 124.60 2cre s LEU 32 Ca 0.27 0.13 -0.19 0.00 0.01 0.00 0.00 54.13 54.35 2cre s LEU 32 Cb -0.15 -1.88 0.10 0.00 0.01 0.00 0.00 46.19 44.28 2cre s LEU 32 CO 0.13 0.30 0.80 -0.89 1.01 0.00 0.00 176.35 177.70 2cre s THR 33 N -0.43 4.74 -0.81 5.49 2.01 -1.25 -1.15 115.64 124.24 2cre s THR 33 Ca 0.09 -0.98 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 2cre s THR 33 Cb -0.12 -4.56 -0.12 0.00 0.01 0.00 0.00 72.50 67.71 2cre s THR 33 CO 0.02 -1.23 2.30 -0.63 -0.69 0.00 0.00 174.62 174.39 2cre s ILE 34 N 2.87 3.11 0.16 1.82 1.01 0.63 -2.53 121.20 128.28 2cre s ILE 34 Ca 0.16 -0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2cre s ILE 34 Cb -0.20 -3.26 0.07 0.00 0.01 0.00 0.00 42.46 39.08 2cre s ILE 34 CO 0.05 -0.24 1.65 -0.07 0.00 0.00 0.00 174.94 176.33 2cre h LEU 35 N 21.43 -0.56 -7.41 2.97 3.38 -0.79 -1.65 115.31 132.68 2cre h LEU 35 Ca 0.02 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2cre h LEU 35 Cb 1.00 0.30 -0.22 0.00 0.09 0.00 0.00 40.66 41.83 2cre h LEU 35 CO 1.06 -0.20 -0.27 -1.83 0.09 0.00 0.00 178.44 177.29 2cre s GLU 36 N -6.16 0.55 -0.12 1.13 -1.05 -1.22 -4.16 118.70 107.66 2cre s GLU 36 Ca -0.14 0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.88 2cre s GLU 36 Cb 0.14 0.25 -0.25 0.00 -0.44 0.00 0.00 34.13 33.84 2cre s GLU 36 CO 0.70 -0.11 0.35 1.04 0.95 0.00 0.00 175.26 178.18 2cre n GLN 37 N 2.15 0.72 -2.02 -4.83 3.00 -1.26 -3.40 117.38 111.73 2cre n GLN 37 Ca -0.17 0.25 -0.38 0.00 -0.01 0.00 0.00 57.00 56.69 2cre n GLN 37 Cb 0.57 -1.70 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 2cre n GLN 37 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2cre s HIS 38 N -2.56 1.64 -0.38 1.08 3.76 -1.26 -4.88 115.29 112.69 2cre s HIS 38 Ca -0.20 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 2cre s HIS 38 Cb 0.07 -4.07 0.13 0.00 1.11 0.00 0.00 32.58 29.82 2cre s HIS 38 CO 0.76 -2.30 0.19 0.08 -0.85 0.00 0.00 174.74 172.63 2cre s VAL 39 N 9.22 0.92 0.19 -0.90 1.01 -1.26 -4.98 120.40 124.60 2cre s VAL 39 Ca 0.68 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 2cre s VAL 39 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2cre s VAL 39 CO 0.20 -0.86 1.54 1.55 0.00 0.00 0.00 175.10 177.53 2cre h PRO 40 N 7.20 0.70 -0.64 2.72 0.13 -1.96 -0.10 132.00 140.04 2cre h PRO 40 Ca -0.03 -0.37 0.06 0.00 -0.87 0.00 0.00 66.00 64.79 2cre h PRO 40 Cb 0.96 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 2cre h PRO 40 CO 0.43 0.98 0.35 1.05 -0.23 0.00 0.00 178.00 180.58 2cre h GLU 41 N 0.57 0.64 -1.54 0.86 4.11 -2.01 -3.15 114.58 114.05 2cre h GLU 41 Ca 0.04 -0.04 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2cre h GLU 41 Cb 0.95 -0.14 -0.41 0.00 0.50 0.00 0.00 28.75 29.65 2cre h GLU 41 CO 0.09 0.42 -0.87 0.43 0.07 0.00 0.00 179.01 179.15 2cre n SER 42 N -4.80 3.55 -3.26 3.06 7.64 -1.20 -5.09 113.62 113.52 2cre n SER 42 Ca 0.08 -3.40 -0.37 0.00 1.01 0.00 0.00 58.87 56.19 2cre n SER 42 Cb 0.17 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 2cre n SER 42 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2cre n GLU 43 N -0.28 0.00 0.00 1.43 0.00 -0.06 -0.28 120.64 121.46 2cre n GLU 43 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.45 2cre n GLU 43 Cb 0.66 -0.79 0.00 0.00 0.00 0.00 0.00 31.44 31.31 2cre n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cre n GLY 44 N 1.42 2.88 3.95 -1.84 0.00 -1.26 -5.01 105.19 105.32 2cre n GLY 44 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.75 2.91 -0.02 1.61 0.52 0.62 -3.28 118.94 119.54 2cre s TRP 45 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.41 2cre s TRP 45 Cb 0.00 -3.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 2cre s TRP 45 CO 0.00 -1.17 -0.07 -1.58 0.02 0.00 0.00 176.95 174.16 2cre s TRP 46 N -3.04 0.72 -0.68 -1.98 0.51 0.24 -4.71 118.94 110.00 2cre s TRP 46 Ca 0.59 -0.16 -0.22 0.00 -2.12 0.00 0.00 56.10 54.18 2cre s TRP 46 Cb -0.11 -0.53 0.07 0.00 -0.81 0.00 0.00 33.47 32.10 2cre s TRP 46 CO 0.42 -0.08 0.97 0.21 -0.51 0.00 0.00 176.95 177.96 2cre s LYS 47 N 0.21 3.14 0.39 4.98 2.20 -1.22 0.16 119.74 129.60 2cre s LYS 47 Ca -0.03 -0.90 0.08 0.00 -0.36 0.00 0.00 55.97 54.75 2cre s LYS 47 Cb -0.07 -4.28 -0.02 0.00 -1.51 0.00 0.00 37.83 31.95 2cre s LYS 47 CO 0.00 -1.81 0.36 0.00 -0.36 0.00 0.00 175.35 173.54 2cre s LEU 49 N -4.09 1.92 -0.24 0.00 1.98 -1.05 -2.64 118.68 114.56 2cre s LEU 49 Ca 0.46 -0.44 -0.19 0.00 -2.89 0.00 0.00 54.13 51.06 2cre s LEU 49 Cb -0.04 -1.16 0.07 0.00 0.66 0.00 0.00 46.19 45.71 2cre s LEU 49 CO 0.28 0.12 0.63 -0.22 -1.89 0.00 0.00 176.35 175.26 2cre s LEU 50 N 0.37 -0.52 -0.46 -0.68 2.96 -1.26 -3.77 118.68 115.33 2cre s LEU 50 Ca -0.14 1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 55.01 2cre s LEU 50 Cb -0.16 2.15 0.06 0.00 0.50 0.00 0.00 46.19 48.73 2cre s LEU 50 CO 0.06 -0.22 0.15 1.41 -1.32 0.00 0.00 176.35 176.42 2cre n HIS 51 N 3.28 -1.79 -2.87 5.38 8.25 -1.26 0.80 115.22 127.00 2cre n HIS 51 Ca -0.16 0.17 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2cre n HIS 51 Cb 0.56 -1.21 0.05 0.00 1.12 0.00 0.00 29.99 30.52 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 -0.64 -0.01 0.10 -1.41 0.00 -1.26 -4.99 105.19 96.99 2cre n GLY 52 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.86 0.54 -3.31 1.61 1.74 0.24 -5.03 116.66 109.59 2cre n ARG 53 Ca -0.14 0.26 -0.16 0.00 -0.77 0.00 0.00 57.85 57.04 2cre n ARG 53 Cb 0.59 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 -4.41 -5.54 -4.67 5.56 6.02 -1.24 -4.95 117.38 108.15 2cre n GLN 54 Ca -0.26 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.23 2cre n GLN 54 Cb 0.62 -5.64 -0.09 0.00 1.02 0.00 0.00 30.24 26.15 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 -4.12 2.74 0.61 1.08 0.00 -1.08 -4.93 107.32 101.61 2cre s GLY 55 Ca 0.07 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 2cre s GLY 55 CO 0.68 -2.12 0.98 1.08 0.00 0.00 0.00 173.10 173.73 2cre s LEU 56 N -3.77 3.25 -0.08 0.66 1.43 0.76 -1.54 118.68 119.39 2cre s LEU 56 Ca 0.21 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 2cre s LEU 56 Cb 0.06 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 42.12 2cre s LEU 56 CO 0.11 -0.91 0.28 0.00 0.23 0.00 0.00 176.35 176.05 2cre s ALA 57 N -3.11 -0.69 -0.32 4.21 0.00 0.43 0.76 121.76 123.03 2cre s ALA 57 Ca 0.54 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 2cre s ALA 57 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2cre s ALA 57 CO 0.51 -0.17 1.68 -1.25 0.00 0.00 0.00 175.76 176.53 2cre s PRO 58 N -0.30 3.48 0.66 0.00 0.04 -1.26 0.80 135.00 138.42 2cre s PRO 58 Ca -0.04 1.38 0.41 0.00 0.04 0.00 0.00 61.00 62.79 2cre s PRO 58 Cb -0.03 -4.13 2.27 0.00 0.04 0.00 0.00 34.50 32.65 2cre s PRO 58 CO 0.01 -1.68 2.31 0.00 0.04 0.00 0.00 177.00 177.68 2cre h ALA 59 N 11.98 1.11 0.00 8.56 0.00 -1.88 0.68 119.26 139.71 2cre h ALA 59 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2cre h ALA 59 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cre h ALA 59 CO 1.03 -0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.51 2cre n ASN 60 N -3.15 0.00 0.00 0.00 6.94 -1.26 -2.12 115.26 115.67 2cre n ASN 60 Ca -0.03 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 2cre n ASN 60 Cb 0.12 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 2cre n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2cre n ARG 61 N -1.41 0.06 -3.99 -3.83 1.74 0.22 -5.03 116.66 104.41 2cre n ARG 61 Ca 0.05 -0.75 -0.29 0.00 -0.77 0.00 0.00 57.85 56.09 2cre n ARG 61 Cb 0.16 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 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 -0.26 4.09 -0.35 0.55 2.01 -0.90 -2.66 118.68 121.16 2cre s LEU 62 Ca 0.00 0.10 0.04 0.00 0.01 0.00 0.00 54.13 54.28 2cre s LEU 62 Cb 0.00 -2.71 0.10 0.00 0.01 0.00 0.00 46.19 43.59 2cre s LEU 62 CO 0.00 0.14 0.07 -1.58 1.01 0.00 0.00 176.35 175.99 2cre s GLN 63 N -2.68 1.54 -0.32 1.70 0.74 -0.73 -4.92 119.66 114.99 2cre s GLN 63 Ca 0.32 -1.92 -0.28 0.00 0.05 0.00 0.00 55.36 53.54 2cre s GLN 63 Cb -0.12 -3.24 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 2cre s GLN 63 CO 0.25 -0.96 1.95 0.42 -0.55 0.00 0.00 175.29 176.40 2cre s ILE 64 N 0.85 3.32 -0.99 -2.34 -1.09 -1.26 -2.31 121.20 117.37 2cre s ILE 64 Ca 0.11 0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.70 2cre s ILE 64 Cb -0.20 -3.46 0.19 0.00 -1.58 0.00 0.00 42.46 37.42 2cre s ILE 64 CO -0.07 -0.31 1.08 -0.76 -1.23 0.00 0.00 174.94 173.65 2cre s LEU 65 N 7.68 5.79 0.06 2.97 1.43 -1.23 -5.02 118.68 130.35 2cre s LEU 65 Ca 0.86 -2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 50.95 2cre s LEU 65 Cb -0.24 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 2cre s LEU 65 CO 0.33 -0.72 1.37 -0.94 0.23 0.00 0.00 176.35 176.62 2cre s SER 66 N 2.63 6.88 0.00 2.29 1.04 -1.26 -4.90 113.70 120.38 2cre s SER 66 Ca 0.30 2.19 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2cre s SER 66 Cb -0.07 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2cre s SER 66 CO -0.07 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2cre n GLY 67 N 3.52 3.96 3.55 7.32 0.00 -1.26 -5.01 105.19 117.27 2cre n GLY 67 Ca 0.12 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.24 2.61 -1.30 1.61 0.04 -1.26 -3.97 135.00 130.49 2cre s PRO 68 Ca 0.00 0.43 -0.13 0.00 0.04 0.00 0.00 61.00 61.34 2cre s PRO 68 Cb 0.00 -4.52 0.13 0.00 0.04 0.00 0.00 34.50 30.15 2cre s PRO 68 CO 0.00 -2.86 0.32 0.43 0.04 0.00 0.00 177.00 174.93 2cre n SER 69 N 13.00 -0.79 -4.79 6.66 7.64 -1.26 -4.84 113.62 129.25 2cre n SER 69 Ca 0.24 -0.91 -0.37 0.00 1.01 0.00 0.00 58.87 58.84 2cre n SER 69 Cb 0.51 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2cre n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cre s SER 70 N -2.99 7.28 0.00 6.43 1.04 -1.26 -5.29 113.70 118.91 2cre s SER 70 Ca 0.45 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2cre s SER 70 Cb -0.26 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.32 2cre s SER 70 CO 0.74 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.54