#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuh s SER 2 N 0.00 6.95 -0.13 1.61 0.15 -1.26 -5.00 113.70 116.02 2cuh s SER 2 Ca 0.00 1.30 -0.05 0.00 0.70 0.00 0.00 55.95 57.90 2cuh s SER 2 Cb 0.00 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2cuh s SER 2 CO 0.00 0.02 0.04 -0.94 1.20 0.00 0.00 173.24 173.56 2cuh s SER 3 N -1.76 5.53 -0.40 5.45 1.04 -1.26 -4.92 113.70 117.38 2cuh s SER 3 Ca 0.43 0.15 0.12 0.00 0.48 0.00 0.00 55.95 57.13 2cuh s SER 3 Cb -0.15 -1.79 0.40 0.00 0.10 0.00 0.00 66.02 64.58 2cuh s SER 3 CO 0.20 0.29 0.92 0.61 0.98 0.00 0.00 173.24 176.24 2cuh n GLY 4 N 2.76 3.69 0.10 7.32 0.00 -1.26 -4.82 105.19 112.99 2cuh n GLY 4 Ca -0.18 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuh n SER 5 N -0.08 1.90 -0.01 1.61 2.88 -1.26 -4.80 113.62 113.86 2cuh n SER 5 Ca 0.23 0.42 -0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2cuh n SER 5 Cb 0.67 -0.84 -0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2cuh n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cuh h SER 6 N -1.00 0.00 0.00 -3.46 0.02 -2.06 -3.50 113.55 103.55 2cuh h SER 6 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2cuh h SER 6 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2cuh h SER 6 CO -0.16 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 2cuh n GLY 7 N 1.94 0.64 0.00 -3.77 0.00 -1.26 -5.17 105.19 97.57 2cuh n GLY 7 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2cuh n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 8 N 0.00 -0.48 -0.14 1.61 -0.04 -1.26 -4.99 135.00 129.69 2cuh n PRO 8 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2cuh n PRO 8 Cb 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.59 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cuh n ASP 9 N -2.21 2.66 -3.19 3.54 9.92 -1.26 -4.75 116.55 121.26 2cuh n ASP 9 Ca 0.00 -2.58 -0.14 0.00 -0.53 0.00 0.00 54.79 51.53 2cuh n ASP 9 Cb 0.00 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cuh n GLY 10 N -0.66 3.87 3.75 0.44 0.00 -1.26 -4.70 105.19 106.62 2cuh n GLY 10 Ca 0.12 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2cuh n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 11 N -2.82 4.43 0.29 1.61 0.04 -1.26 -4.29 135.00 133.00 2cuh s PRO 11 Ca 0.01 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2cuh s PRO 11 Cb -0.00 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2cuh s PRO 11 CO 0.00 -0.14 0.25 0.95 0.04 0.00 0.00 177.00 178.10 2cuh s THR 12 N -0.50 0.00 -1.60 1.26 -4.23 -1.22 -4.42 115.64 104.93 2cuh s THR 12 Ca 0.52 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 2cuh s THR 12 Cb -0.36 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.09 2cuh s THR 12 CO 0.43 0.00 0.86 0.00 -0.54 0.00 0.00 174.62 175.37 2cuh n GLN 13 N -0.51 -4.28 -1.70 3.99 6.02 -1.26 -2.53 117.38 117.12 2cuh n GLN 13 Ca 0.05 0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 57.10 2cuh n GLN 13 Cb 0.63 -5.30 -0.03 0.00 1.02 0.00 0.00 30.24 26.57 2cuh n GLN 13 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2cuh n LEU 14 N -4.48 3.87 -4.68 1.08 7.94 -1.26 -4.66 117.00 114.82 2cuh n LEU 14 Ca 0.06 1.03 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 2cuh n LEU 14 Cb 0.51 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 2cuh n LEU 14 CO 0.79 0.10 -0.24 -0.13 -1.11 0.00 0.00 177.39 176.81 2cuh s ARG 15 N 2.00 2.10 -0.21 1.96 0.52 -1.04 -4.95 118.95 119.32 2cuh s ARG 15 Ca 0.80 -2.32 -0.01 0.00 -0.52 0.00 0.00 55.73 53.67 2cuh s ARG 15 Cb -0.53 -1.22 0.06 0.00 0.52 0.00 0.00 34.95 33.78 2cuh s ARG 15 CO 0.36 -0.39 -0.01 0.00 0.02 0.00 0.00 175.30 175.28 2cuh s ALA 16 N -2.98 1.48 0.89 2.13 0.00 -1.26 -3.92 121.76 118.09 2cuh s ALA 16 Ca 0.12 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 2cuh s ALA 16 Cb 0.02 -1.30 0.13 0.00 0.00 0.00 0.00 23.12 21.97 2cuh s ALA 16 CO 0.07 -1.17 1.17 -0.48 0.00 0.00 0.00 175.76 175.35 2cuh s LEU 17 N 1.63 2.19 -0.24 0.00 0.05 -1.26 -4.96 118.68 116.08 2cuh s LEU 17 Ca -0.03 0.84 -0.29 0.00 0.05 0.00 0.00 54.13 54.69 2cuh s LEU 17 Cb -0.18 -3.18 -0.02 0.00 -2.05 0.00 0.00 46.19 40.76 2cuh s LEU 17 CO -0.07 -2.39 1.52 0.20 -0.55 0.00 0.00 176.35 175.06 2cuh s ASN 18 N -4.28 6.48 0.84 1.48 0.01 -1.26 -4.99 114.94 113.22 2cuh s ASN 18 Ca 0.64 1.50 -0.10 0.00 -0.71 0.00 0.00 52.86 54.19 2cuh s ASN 18 Cb -0.12 -2.53 0.10 0.00 0.41 0.00 0.00 41.25 39.10 2cuh s ASN 18 CO 0.52 -1.20 1.12 -0.76 -1.51 0.00 0.00 177.10 175.27 2cuh s LEU 19 N 4.92 2.93 -0.19 0.60 2.01 -1.26 -5.06 118.68 122.63 2cuh s LEU 19 Ca 0.67 2.01 -0.28 0.00 0.01 0.00 0.00 54.13 56.53 2cuh s LEU 19 Cb -0.22 -4.54 0.10 0.00 0.01 0.00 0.00 46.19 41.53 2cuh s LEU 19 CO 0.27 -2.58 0.87 0.28 1.01 0.00 0.00 176.35 176.20 2cuh s THR 20 N -2.78 0.00 -1.49 5.49 -1.32 -1.26 -4.67 115.64 109.61 2cuh s THR 20 Ca 0.64 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.05 2cuh s THR 20 Cb -0.20 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.81 2cuh s THR 20 CO 0.57 0.00 0.76 1.21 -2.21 0.00 0.00 174.62 174.95 2cuh n GLU 21 N 1.61 -5.55 -3.87 7.08 4.07 -1.26 -2.31 120.64 120.41 2cuh n GLU 21 Ca -0.14 0.84 -0.25 0.00 -0.06 0.00 0.00 57.16 57.55 2cuh n GLU 21 Cb 0.56 -5.74 0.00 0.00 -0.06 0.00 0.00 31.44 26.21 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2cuh n GLY 22 N -1.62 -0.28 2.85 8.31 0.00 -1.26 -4.97 105.19 108.22 2cuh n GLY 22 Ca -0.07 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cuh s PHE 23 N -3.77 1.77 -0.25 1.61 5.36 -0.98 -4.98 117.98 116.74 2cuh s PHE 23 Ca 0.08 -1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 54.60 2cuh s PHE 23 Cb -0.04 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.26 2cuh s PHE 23 CO 0.86 -0.70 0.21 0.00 -1.46 0.00 0.00 175.22 174.13 2cuh s ALA 24 N 1.61 3.58 0.22 11.12 0.00 -1.25 -4.07 121.76 132.97 2cuh s ALA 24 Ca -0.04 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2cuh s ALA 24 Cb -0.18 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 2cuh s ALA 24 CO -0.07 -0.35 -0.01 0.14 0.00 0.00 0.00 175.76 175.46 2cuh s VAL 25 N 1.39 1.06 0.04 0.00 -7.23 -1.26 -0.68 120.40 113.72 2cuh s VAL 25 Ca 0.09 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2cuh s VAL 25 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2cuh s VAL 25 CO 0.07 -0.36 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.70 2cuh s LEU 26 N -3.29 3.31 -0.11 1.32 1.43 -1.19 -4.82 118.68 115.33 2cuh s LEU 26 Ca 0.27 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2cuh s LEU 26 Cb 0.05 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.32 2cuh s LEU 26 CO 0.08 0.23 -0.09 -1.00 0.23 0.00 0.00 176.35 175.81 2cuh s HIS 27 N -1.14 1.54 0.11 0.29 3.76 -1.25 -3.35 115.29 115.25 2cuh s HIS 27 Ca 0.21 -0.77 0.06 0.00 -0.15 0.00 0.00 55.06 54.41 2cuh s HIS 27 Cb -0.11 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.29 2cuh s HIS 27 CO 0.12 -0.51 -0.15 1.67 -0.85 0.00 0.00 174.74 175.03 2cuh s TRP 28 N 1.61 1.39 -0.17 1.40 -2.14 -1.25 -2.49 118.94 117.29 2cuh s TRP 28 Ca 0.04 -0.52 -0.18 0.00 2.66 0.00 0.00 56.10 58.09 2cuh s TRP 28 Cb -0.13 -0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.08 0.13 0.51 0.21 -2.66 0.00 0.00 176.95 175.06 2cuh s LYS 29 N -2.41 4.24 0.02 3.25 2.20 -1.05 -4.87 119.74 121.12 2cuh s LYS 29 Ca 0.06 0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 2cuh s LYS 29 Cb -0.06 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 2cuh s LYS 29 CO 0.03 -0.05 1.43 -1.25 -0.36 0.00 0.00 175.35 175.14 2cuh s PRO 30 N 1.32 4.28 0.86 4.03 0.04 -1.26 -3.39 135.00 140.88 2cuh s PRO 30 Ca 0.25 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2cuh s PRO 30 Cb -0.15 -3.53 0.11 0.00 0.04 0.00 0.00 34.50 30.97 2cuh s PRO 30 CO 0.10 -0.57 1.09 -1.25 0.04 0.00 0.00 177.00 176.41 2cuh s PRO 31 N 2.23 1.54 0.20 0.56 0.04 -1.26 -4.89 135.00 133.42 2cuh s PRO 31 Ca 0.65 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2cuh s PRO 31 Cb -0.33 -1.83 0.31 0.00 0.04 0.00 0.00 34.50 32.68 2cuh s PRO 31 CO 0.28 -2.07 1.13 0.94 0.04 0.00 0.00 177.00 177.31 2cuh n GLN 32 N -3.78 -0.08 -4.40 4.56 7.27 -1.26 -3.94 117.38 115.74 2cuh n GLN 32 Ca 0.08 1.13 -0.34 0.00 0.07 0.00 0.00 57.00 57.94 2cuh n GLN 32 Cb 0.55 -1.68 -0.13 0.00 2.41 0.00 0.00 30.24 31.38 2cuh n GLN 32 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2cuh s ASN 33 N -5.20 4.54 0.57 1.69 2.47 -1.26 -5.11 114.94 112.65 2cuh s ASN 33 Ca -0.11 -0.22 -0.18 0.00 0.42 0.00 0.00 52.86 52.77 2cuh s ASN 33 Cb 0.19 -1.74 -0.04 0.00 -1.45 0.00 0.00 41.25 38.21 2cuh s ASN 33 CO 0.56 0.13 1.12 -2.16 -3.72 0.00 0.00 177.10 173.04 2cuh s PRO 34 N 0.56 3.21 0.52 0.43 0.04 -1.25 -4.87 135.00 133.64 2cuh s PRO 34 Ca -0.04 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2cuh s PRO 34 Cb -0.15 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2cuh s PRO 34 CO 0.03 -0.95 0.72 1.33 0.04 0.00 0.00 177.00 178.16 2cuh n VAL 35 N -1.59 0.00 -0.11 -0.36 0.24 -1.26 -5.07 118.33 110.18 2cuh n VAL 35 Ca 0.11 -1.43 -0.21 0.00 -2.04 0.00 0.00 64.34 60.78 2cuh n VAL 35 Cb 0.51 -0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 32.00 2cuh n VAL 35 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2cuh n ASP 36 N -2.67 1.87 -3.82 -1.34 9.92 -1.17 -4.02 116.55 115.33 2cuh n ASP 36 Ca 0.13 0.43 -0.13 0.00 -0.53 0.00 0.00 54.79 54.70 2cuh n ASP 36 Cb 0.48 -0.92 -0.14 0.00 -0.64 0.00 0.00 41.12 39.90 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2cuh s THR 37 N -2.39 -0.02 -0.20 -3.53 -4.23 -1.25 0.15 115.64 104.18 2cuh s THR 37 Ca -0.29 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 2cuh s THR 37 Cb 0.07 -0.13 -0.04 0.00 1.34 0.00 0.00 72.50 73.73 2cuh s THR 37 CO 0.52 0.03 0.29 -0.31 -0.54 0.00 0.00 174.62 174.60 2cuh s TYR 38 N 0.38 3.39 -0.35 3.99 2.02 0.98 -0.22 117.35 127.54 2cuh s TYR 38 Ca -0.03 0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 57.00 2cuh s TYR 38 Cb -0.04 -2.38 -0.00 0.00 -0.40 0.00 0.00 41.96 39.14 2cuh s TYR 38 CO -0.01 0.11 0.43 0.34 -1.57 0.00 0.00 175.55 174.85 2cuh s ASP 39 N 0.80 6.23 -0.06 2.29 -1.08 -0.60 -2.43 116.67 121.82 2cuh s ASP 39 Ca 0.15 -0.20 0.05 0.00 -0.52 0.00 0.00 52.55 52.02 2cuh s ASP 39 Cb -0.14 -2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 2cuh s ASP 39 CO 0.05 -0.42 -0.20 -0.63 0.52 0.00 0.00 175.17 174.49 2cuh s ILE 40 N 2.18 2.53 -0.06 4.11 1.09 -1.19 0.12 121.20 129.99 2cuh s ILE 40 Ca 0.15 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2cuh s ILE 40 Cb -0.16 -1.96 0.02 0.00 -1.06 0.00 0.00 42.46 39.29 2cuh s ILE 40 CO 0.13 0.57 -0.07 -1.58 -0.10 0.00 0.00 174.94 173.89 2cuh s GLN 41 N -0.34 1.13 -0.04 2.79 0.74 0.19 -2.90 119.66 121.23 2cuh s GLN 41 Ca 0.02 -0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.30 2cuh s GLN 41 Cb -0.13 -1.09 -0.02 0.00 1.10 0.00 0.00 33.01 32.87 2cuh s GLN 41 CO 0.02 -0.09 -0.21 0.08 -0.55 0.00 0.00 175.29 174.54 2cuh s VAL 42 N 1.02 2.43 0.17 1.34 1.01 -0.61 -0.05 120.40 125.71 2cuh s VAL 42 Ca -0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 2cuh s VAL 42 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2cuh s VAL 42 CO -0.00 0.58 0.21 0.42 0.00 0.00 0.00 175.10 176.31 2cuh s THR 43 N -0.56 0.06 -0.08 3.92 -4.23 -0.97 -1.46 115.64 112.30 2cuh s THR 43 Ca 0.08 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2cuh s THR 43 Cb -0.11 -2.04 0.11 0.00 1.34 0.00 0.00 72.50 71.80 2cuh s THR 43 CO 0.00 -0.27 0.91 0.00 -0.54 0.00 0.00 174.62 174.72 2cuh s ALA 44 N -4.03 -1.87 -0.34 3.99 0.00 -1.26 -2.22 121.76 116.03 2cuh s ALA 44 Ca 0.23 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 2cuh s ALA 44 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2cuh s ALA 44 CO 0.03 -0.46 1.69 -1.25 0.00 0.00 0.00 175.76 175.77 2cuh s PRO 45 N -1.87 3.44 0.00 0.00 0.04 -1.26 -2.22 135.00 133.12 2cuh s PRO 45 Ca -0.01 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2cuh s PRO 45 Cb -0.01 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2cuh s PRO 45 CO -0.01 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.71 2cuh n GLY 46 N 5.28 0.79 3.29 0.56 0.00 -1.26 -5.05 105.19 108.79 2cuh n GLY 46 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2cuh n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuh s ALA 47 N -2.03 1.81 0.50 4.61 0.00 -0.94 -5.14 121.76 120.57 2cuh s ALA 47 Ca 0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.44 2cuh s ALA 47 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 2cuh s ALA 47 CO 0.00 0.29 1.15 -1.25 0.00 0.00 0.00 175.76 175.95 2cuh s PRO 48 N -2.22 3.56 0.24 0.00 0.04 -1.26 -4.44 135.00 130.93 2cuh s PRO 48 Ca 0.09 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2cuh s PRO 48 Cb -0.08 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2cuh s PRO 48 CO 0.05 -0.70 1.27 -1.25 0.04 0.00 0.00 177.00 176.41 2cuh s PRO 49 N -2.98 4.43 -0.13 0.56 0.04 -1.26 -4.75 135.00 130.91 2cuh s PRO 49 Ca 0.68 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2cuh s PRO 49 Cb -0.26 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2cuh s PRO 49 CO 0.31 -0.15 -0.17 -1.17 0.04 0.00 0.00 177.00 175.86 2cuh s LEU 50 N -0.76 2.46 -0.07 -3.56 2.96 -0.54 -5.03 118.68 114.14 2cuh s LEU 50 Ca 0.53 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2cuh s LEU 50 Cb -0.36 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2cuh s LEU 50 CO 0.42 0.14 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.90 2cuh s GLN 51 N 0.49 1.66 0.26 1.98 0.74 -1.26 -1.57 119.66 121.95 2cuh s GLN 51 Ca -0.11 -0.39 -0.04 0.00 0.05 0.00 0.00 55.36 54.87 2cuh s GLN 51 Cb -0.16 -1.40 -0.02 0.00 1.10 0.00 0.00 33.01 32.52 2cuh s GLN 51 CO 0.05 -0.00 0.32 0.00 -0.55 0.00 0.00 175.29 175.10 2cuh s ALA 52 N 0.76 0.75 0.05 1.58 0.00 -1.14 -5.08 121.76 118.67 2cuh s ALA 52 Ca -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.33 2cuh s ALA 52 Cb -0.15 1.26 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 2cuh s ALA 52 CO 0.03 -0.72 0.05 -2.00 0.00 0.00 0.00 175.76 173.12 2cuh s GLU 53 N -3.82 0.61 0.01 0.00 2.56 -1.26 -3.14 118.70 113.66 2cuh s GLU 53 Ca 0.33 -0.95 -0.07 0.00 0.00 0.00 0.00 54.97 54.27 2cuh s GLU 53 Cb 0.03 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.39 2cuh s GLU 53 CO 0.14 -0.14 0.14 -0.08 -0.56 0.00 0.00 175.26 174.76 2cuh s THR 54 N -3.21 0.09 0.61 -1.70 -1.32 -1.02 -4.98 115.64 104.11 2cuh s THR 54 Ca 0.00 -0.72 -0.17 0.00 -1.21 0.00 0.00 61.69 59.59 2cuh s THR 54 Cb 0.03 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 2cuh s THR 54 CO -0.07 -0.40 1.12 -2.16 -2.21 0.00 0.00 174.62 170.90 2cuh s PRO 55 N -1.51 3.03 0.44 7.08 0.04 -1.26 -0.01 135.00 142.81 2cuh s PRO 55 Ca -0.14 1.48 0.30 0.00 0.04 0.00 0.00 61.00 62.68 2cuh s PRO 55 Cb -0.07 -1.97 1.60 0.00 0.04 0.00 0.00 34.50 34.10 2cuh s PRO 55 CO 0.01 -1.09 1.92 0.78 0.04 0.00 0.00 177.00 178.66 2cuh h GLY 56 N 0.51 0.00 -0.72 0.56 0.00 0.12 -1.12 103.07 102.42 2cuh h GLY 56 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2cuh h GLY 56 CO 0.55 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.95 2cuh n SER 57 N -2.56 0.84 -4.30 0.19 3.41 -1.26 -4.68 113.62 105.26 2cuh n SER 57 Ca -0.02 -2.04 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 2cuh n SER 57 Cb 0.06 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cuh s ALA 58 N -1.51 2.05 -0.13 7.33 0.00 -0.42 -5.02 121.76 124.05 2cuh s ALA 58 Ca 0.04 -1.14 0.16 0.00 0.00 0.00 0.00 51.96 51.02 2cuh s ALA 58 Cb 0.02 -0.45 0.28 0.00 0.00 0.00 0.00 23.12 22.97 2cuh s ALA 58 CO 0.02 0.48 1.16 1.33 0.00 0.00 0.00 175.76 178.75 2cuh n VAL 59 N 2.03 1.81 -3.60 0.00 0.24 -1.26 -4.96 118.33 112.58 2cuh n VAL 59 Ca -0.17 -2.05 -0.09 0.00 -2.04 0.00 0.00 64.34 59.99 2cuh n VAL 59 Cb 0.52 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 2cuh n VAL 59 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2cuh s ASP 60 N -2.52 -0.35 -0.34 -1.34 -4.77 -1.26 -3.78 116.67 102.32 2cuh s ASP 60 Ca 0.29 0.46 -0.01 0.00 -3.30 0.00 0.00 52.55 49.99 2cuh s ASP 60 Cb 0.25 0.39 0.11 0.00 -1.09 0.00 0.00 42.92 42.58 2cuh s ASP 60 CO 0.03 -0.27 0.15 -0.47 0.70 0.00 0.00 175.17 175.31 2cuh s TYR 61 N -0.79 1.41 -0.29 2.11 5.04 -1.21 -4.98 117.35 118.65 2cuh s TYR 61 Ca 0.00 -1.73 -0.29 0.00 -2.44 0.00 0.00 57.07 52.61 2cuh s TYR 61 Cb -0.02 -1.51 -0.02 0.00 0.35 0.00 0.00 41.96 40.76 2cuh s TYR 61 CO -0.01 -0.84 1.66 -1.25 -1.34 0.00 0.00 175.55 173.76 2cuh s PRO 62 N 1.35 3.59 -0.13 4.97 0.04 -1.26 -3.18 135.00 140.38 2cuh s PRO 62 Ca 0.12 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 2cuh s PRO 62 Cb -0.19 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 2cuh s PRO 62 CO -0.18 -1.55 0.29 -0.51 0.04 0.00 0.00 177.00 175.09 2cuh s LEU 63 N 5.88 4.30 0.45 -3.56 1.43 0.14 -4.95 118.68 122.38 2cuh s LEU 63 Ca 0.73 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2cuh s LEU 63 Cb -0.22 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2cuh s LEU 63 CO 0.31 0.18 0.07 -1.38 0.23 0.00 0.00 176.35 175.77 2cuh s HIS 64 N -0.02 2.29 -0.73 0.29 -3.43 -1.26 -3.77 115.29 108.67 2cuh s HIS 64 Ca 0.17 -0.75 -0.01 0.00 -0.80 0.00 0.00 55.06 53.68 2cuh s HIS 64 Cb -0.13 -1.78 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 2cuh s HIS 64 CO 0.05 0.27 0.61 -3.47 -2.00 0.00 0.00 174.74 170.21 2cuh n ASP 65 N -1.16 -2.39 -4.33 7.38 -0.08 -1.26 -5.02 116.55 109.68 2cuh n ASP 65 Ca -0.08 -0.36 -0.35 0.00 -1.51 0.00 0.00 54.79 52.49 2cuh n ASP 65 Cb 0.66 -3.25 -0.14 0.00 2.34 0.00 0.00 41.12 40.73 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cuh s LEU 66 N -4.62 2.95 0.17 -2.67 1.43 -1.26 -5.07 118.68 109.60 2cuh s LEU 66 Ca 0.05 -0.36 -0.34 0.00 -1.03 0.00 0.00 54.13 52.46 2cuh s LEU 66 Cb -0.02 -1.75 -0.14 0.00 0.03 0.00 0.00 46.19 44.30 2cuh s LEU 66 CO 0.43 -0.00 1.46 0.52 0.23 0.00 0.00 176.35 178.99 2cuh n VAL 67 N 4.68 0.33 -2.21 -1.59 0.31 -1.26 -4.87 118.33 113.71 2cuh n VAL 67 Ca -0.18 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 63.75 2cuh n VAL 67 Cb 0.51 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.07 2cuh n VAL 67 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cuh s LEU 68 N 0.59 3.53 -1.09 7.52 2.01 -1.26 -4.00 118.68 126.00 2cuh s LEU 68 Ca 0.76 1.64 -0.05 0.00 0.01 0.00 0.00 54.13 56.49 2cuh s LEU 68 Cb -0.73 -4.51 0.01 0.00 0.01 0.00 0.00 46.19 40.96 2cuh s LEU 68 CO 0.44 -0.82 0.93 1.41 1.01 0.00 0.00 176.35 179.32 2cuh n HIS 69 N -1.87 -2.20 -3.68 0.29 8.25 -1.26 -5.02 115.22 109.73 2cuh n HIS 69 Ca 0.07 0.83 -0.11 0.00 -0.26 0.00 0.00 57.72 58.25 2cuh n HIS 69 Cb 0.54 -4.46 -0.09 0.00 1.12 0.00 0.00 29.99 27.10 2cuh n HIS 69 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2cuh s THR 70 N -3.28 -0.01 -0.19 1.59 2.01 -1.26 -5.06 115.64 109.44 2cuh s THR 70 Ca 0.31 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 2cuh s THR 70 Cb -0.14 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2cuh s THR 70 CO 0.61 0.02 1.34 0.20 -0.69 0.00 0.00 174.62 176.09 2cuh s ASN 71 N 1.10 6.81 -0.24 3.53 -0.87 -1.26 -4.09 114.94 119.92 2cuh s ASN 71 Ca -0.07 1.63 -0.02 0.00 -1.57 0.00 0.00 52.86 52.83 2cuh s ASN 71 Cb -0.06 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.65 2cuh s ASN 71 CO -0.10 -0.89 -0.06 -0.31 -2.57 0.00 0.00 177.10 173.17 2cuh s TYR 72 N 3.88 3.02 -0.26 2.20 1.51 -1.25 -4.48 117.35 121.97 2cuh s TYR 72 Ca 0.58 -1.34 -0.19 0.00 -1.01 0.00 0.00 57.07 55.11 2cuh s TYR 72 Cb -0.22 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.53 2cuh s TYR 72 CO 0.19 -0.67 0.56 0.99 -1.11 0.00 0.00 175.55 175.51 2cuh s THR 73 N 1.38 5.03 -0.09 -0.71 2.01 -0.94 -4.16 115.64 118.15 2cuh s THR 73 Ca 0.02 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 62.99 2cuh s THR 73 Cb -0.16 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2cuh s THR 73 CO -0.04 0.06 -0.02 0.00 -0.69 0.00 0.00 174.62 173.92 2cuh s ALA 74 N 2.40 3.15 -0.23 7.40 0.00 -1.23 -2.30 121.76 130.95 2cuh s ALA 74 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2cuh s ALA 74 Cb -0.16 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.59 2cuh s ALA 74 CO 0.09 0.51 -0.09 0.99 0.00 0.00 0.00 175.76 177.26 2cuh s THR 75 N -0.62 1.79 -0.07 0.00 2.01 0.92 -2.69 115.64 116.99 2cuh s THR 75 Ca 0.10 -1.27 -0.05 0.00 0.31 0.00 0.00 61.69 60.77 2cuh s THR 75 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2cuh s THR 75 CO 0.02 0.04 0.16 -0.69 -0.69 0.00 0.00 174.62 173.46 2cuh s VAL 76 N 1.30 5.47 0.33 3.82 1.01 0.76 -0.64 120.40 132.45 2cuh s VAL 76 Ca -0.05 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.06 2cuh s VAL 76 Cb -0.18 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2cuh s VAL 76 CO -0.07 0.49 0.28 -0.13 0.00 0.00 0.00 175.10 175.66 2cuh s ARG 77 N -1.44 1.77 -0.05 2.72 0.52 0.33 0.01 118.95 122.82 2cuh s ARG 77 Ca 0.21 -2.03 0.01 0.00 -0.52 0.00 0.00 55.73 53.40 2cuh s ARG 77 Cb -0.12 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.66 2cuh s ARG 77 CO 0.11 -0.65 -0.05 0.20 0.02 0.00 0.00 175.30 174.93 2cuh s GLY 78 N -3.38 0.46 -0.53 -3.53 0.00 -1.26 -1.56 107.32 97.51 2cuh s GLY 78 Ca 0.40 -0.07 -0.20 0.00 0.00 0.00 0.00 44.72 44.85 2cuh s GLY 78 CO 0.27 0.44 0.69 1.08 0.00 0.00 0.00 173.10 175.58 2cuh s LEU 79 N 0.93 4.88 -0.42 0.66 2.01 0.70 -1.32 118.68 126.11 2cuh s LEU 79 Ca -0.11 -0.90 0.03 0.00 0.01 0.00 0.00 54.13 53.17 2cuh s LEU 79 Cb -0.14 -2.48 0.12 0.00 0.01 0.00 0.00 46.19 43.69 2cuh s LEU 79 CO 0.00 -0.98 0.16 -0.13 1.01 0.00 0.00 176.35 176.41 2cuh s ARG 80 N 2.86 1.61 3.49 1.70 1.81 -1.14 -3.01 118.95 126.26 2cuh s ARG 80 Ca 0.17 -2.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.04 2cuh s ARG 80 Cb -0.19 -3.09 0.00 0.00 -0.45 0.00 0.00 34.95 31.22 2cuh s ARG 80 CO 0.12 -1.03 0.00 0.41 -0.68 0.00 0.00 175.30 174.12 2cuh n GLY 81 N 3.76 0.61 0.00 -3.53 0.00 -1.26 -2.64 105.19 102.13 2cuh n GLY 81 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.33 2cuh n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 82 N 0.00 0.49 -4.69 1.61 -0.04 -1.26 -4.74 135.00 126.38 2cuh n PRO 82 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2cuh n PRO 82 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 2cuh n PRO 82 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cuh s ASN 83 N -1.83 3.83 0.33 3.54 0.01 -1.08 -5.17 114.94 114.58 2cuh s ASN 83 Ca 0.15 -1.58 0.08 0.00 -0.71 0.00 0.00 52.86 50.80 2cuh s ASN 83 Cb 0.07 0.28 -0.06 0.00 0.41 0.00 0.00 41.25 41.95 2cuh s ASN 83 CO 0.12 -0.76 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.13 2cuh s LEU 84 N -3.79 2.64 0.54 0.60 1.43 -1.26 -2.88 118.68 115.96 2cuh s LEU 84 Ca 0.16 -1.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.11 2cuh s LEU 84 Cb 0.04 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.48 2cuh s LEU 84 CO 0.08 -0.31 0.62 0.42 0.23 0.00 0.00 176.35 177.39 2cuh s THR 85 N -2.79 2.11 0.06 5.49 -4.23 -0.44 -4.87 115.64 110.96 2cuh s THR 85 Ca 0.32 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 59.34 2cuh s THR 85 Cb 0.04 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 71.52 2cuh s THR 85 CO 0.15 0.00 1.41 -0.94 -0.54 0.00 0.00 174.62 174.70 2cuh s SER 86 N -4.47 6.83 0.65 3.99 1.04 -1.26 -4.56 113.70 115.92 2cuh s SER 86 Ca 0.51 2.22 -0.15 0.00 0.48 0.00 0.00 55.95 59.02 2cuh s SER 86 Cb -0.05 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2cuh s SER 86 CO 0.32 -0.69 1.11 -2.16 0.98 0.00 0.00 173.24 172.80 2cuh s PRO 87 N 1.82 2.82 -0.17 4.02 0.04 -1.26 -4.17 135.00 138.10 2cuh s PRO 87 Ca 0.65 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2cuh s PRO 87 Cb -0.34 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.33 2cuh s PRO 87 CO 0.29 -1.24 0.28 0.00 0.04 0.00 0.00 177.00 176.36 2cuh s ALA 88 N -2.32 -0.59 0.33 8.56 0.00 0.10 -4.46 121.76 123.39 2cuh s ALA 88 Ca 0.67 0.76 0.08 0.00 0.00 0.00 0.00 51.96 53.47 2cuh s ALA 88 Cb -0.21 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.63 2cuh s ALA 88 CO 0.41 -0.91 -0.05 0.45 0.00 0.00 0.00 175.76 175.66 2cuh s SER 89 N 2.42 3.26 0.09 0.00 0.15 -1.26 -0.17 113.70 118.20 2cuh s SER 89 Ca 0.04 -1.23 -0.19 0.00 0.70 0.00 0.00 55.95 55.27 2cuh s SER 89 Cb -0.14 -0.26 0.05 0.00 -1.71 0.00 0.00 66.02 63.96 2cuh s SER 89 CO -0.11 -0.32 0.47 -0.51 1.20 0.00 0.00 173.24 173.97 2cuh s ILE 90 N -2.84 0.04 -0.24 6.45 2.07 -1.09 -4.80 121.20 120.79 2cuh s ILE 90 Ca 0.32 -0.37 -0.07 0.00 -1.41 0.00 0.00 60.65 59.12 2cuh s ILE 90 Cb 0.04 -1.05 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2cuh s ILE 90 CO 0.15 -0.20 0.06 -0.89 -1.91 0.00 0.00 174.94 172.15 2cuh s THR 91 N -3.15 4.31 -0.06 4.00 2.01 -1.26 -3.53 115.64 117.96 2cuh s THR 91 Ca -0.01 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 2cuh s THR 91 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.54 2cuh s THR 91 CO -0.07 0.35 0.14 0.72 -0.69 0.00 0.00 174.62 175.07 2cuh s PHE 92 N 1.50 -0.15 0.22 4.92 -0.12 -1.26 -5.03 117.98 118.05 2cuh s PHE 92 Ca 0.06 0.43 -0.24 0.00 -0.05 0.00 0.00 56.93 57.12 2cuh s PHE 92 Cb -0.15 -0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.11 2cuh s PHE 92 CO 0.03 -0.13 0.82 0.99 -0.05 0.00 0.00 175.22 176.88 2cuh s THR 93 N 0.81 4.35 0.72 -4.49 2.01 -1.26 -3.95 115.64 113.83 2cuh s THR 93 Ca -0.06 1.66 -0.08 0.00 0.31 0.00 0.00 61.69 63.52 2cuh s THR 93 Cb -0.08 -4.06 0.06 0.00 0.01 0.00 0.00 72.50 68.43 2cuh s THR 93 CO -0.04 0.35 1.04 0.42 -0.69 0.00 0.00 174.62 175.70 2cuh s THR 94 N -1.36 2.32 -1.49 -0.82 -4.23 -1.26 -4.22 115.64 104.58 2cuh s THR 94 Ca 0.41 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2cuh s THR 94 Cb -0.21 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.69 2cuh s THR 94 CO 0.25 -0.04 0.81 0.61 -0.54 0.00 0.00 174.62 175.71 2cuh n GLY 95 N -2.97 -0.49 2.32 3.99 0.00 -1.26 -4.13 105.19 102.64 2cuh n GLY 95 Ca 0.08 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2cuh n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cuh n LEU 96 N -4.36 7.54 0.00 0.99 7.94 -1.26 -4.93 117.00 122.92 2cuh n LEU 96 Ca 0.02 -4.20 -0.10 0.00 -1.11 0.00 0.00 56.01 50.62 2cuh n LEU 96 Cb 0.53 -1.00 0.10 0.00 0.53 0.00 0.00 43.42 43.58 2cuh n LEU 96 CO 0.68 1.46 0.11 -1.84 -1.11 0.00 0.00 177.39 176.69 2cuh n GLU 97 N -0.72 -1.60 -3.18 1.96 0.28 -1.26 -4.68 120.64 111.43 2cuh n GLU 97 Ca 0.58 -0.47 -0.38 0.00 -0.16 0.00 0.00 57.16 56.74 2cuh n GLU 97 Cb 0.62 -0.77 -0.02 0.00 1.43 0.00 0.00 31.44 32.70 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cuh n ALA 98 N -3.39 4.73 -1.00 -1.84 0.00 -1.26 -4.76 120.51 112.98 2cuh n ALA 98 Ca -0.06 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.59 2cuh n ALA 98 Cb 0.19 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2cuh n ALA 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2cuh n PRO 99 N 1.26 0.27 0.16 0.00 -0.04 -1.26 -4.68 135.00 130.71 2cuh n PRO 99 Ca 0.27 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2cuh n PRO 99 Cb 0.36 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.01 2cuh n PRO 99 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2cuh h ARG 100 N 0.00 0.00 0.00 0.54 0.11 -1.97 -3.13 114.38 109.94 2cuh h ARG 100 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2cuh h ARG 100 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2cuh h ARG 100 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 2cuh n ASP 101 N -2.73 0.00 -0.21 0.08 8.00 -1.26 -4.58 116.55 115.85 2cuh n ASP 101 Ca 0.04 0.15 -0.03 0.00 0.71 0.00 0.00 54.79 55.66 2cuh n ASP 101 Cb 0.50 -0.35 0.04 0.00 -0.02 0.00 0.00 41.12 41.28 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2cuh h LEU 102 N 0.00 -0.89 -8.53 0.64 4.07 -1.91 -3.33 115.31 105.35 2cuh h LEU 102 Ca 0.00 0.21 -0.53 0.00 0.08 0.00 0.00 57.88 57.64 2cuh h LEU 102 Cb 0.00 0.49 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 2cuh h LEU 102 CO 0.00 -0.27 1.19 -0.70 -1.08 0.00 0.00 178.44 177.58 2cuh s GLU 103 N -6.11 3.05 0.39 1.13 -6.30 -1.18 -4.97 118.70 104.70 2cuh s GLU 103 Ca -0.14 0.44 -0.12 0.00 -2.50 0.00 0.00 54.97 52.64 2cuh s GLU 103 Cb 0.18 -4.23 -0.07 0.00 0.00 0.00 0.00 34.13 30.00 2cuh s GLU 103 CO 0.71 -2.24 0.78 0.00 0.02 0.00 0.00 175.26 174.53 2cuh s ALA 104 N 7.07 3.31 -0.13 6.30 0.00 -1.25 -4.68 121.76 132.39 2cuh s ALA 104 Ca 0.56 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 2cuh s ALA 104 Cb -0.12 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.29 2cuh s ALA 104 CO 0.22 0.08 0.31 0.21 0.00 0.00 0.00 175.76 176.58 2cuh s LYS 105 N -3.58 0.28 0.80 0.00 2.47 -1.26 -5.16 119.74 113.28 2cuh s LYS 105 Ca 0.53 0.62 -0.09 0.00 -1.56 0.00 0.00 55.97 55.46 2cuh s LYS 105 Cb -0.10 -0.08 0.12 0.00 -1.46 0.00 0.00 37.83 36.31 2cuh s LYS 105 CO 0.27 -0.16 1.13 -1.21 0.16 0.00 0.00 175.35 175.54 2cuh s GLU 106 N 1.27 1.58 0.01 4.03 0.41 -1.26 -5.11 118.70 119.63 2cuh s GLU 106 Ca -0.09 -0.42 -0.00 0.00 -0.41 0.00 0.00 54.97 54.05 2cuh s GLU 106 Cb -0.09 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.18 2cuh s GLU 106 CO -0.10 -1.69 -0.01 0.54 -0.49 0.00 0.00 175.26 173.51 2cuh s VAL 107 N -3.47 0.06 -0.41 2.63 0.11 -1.26 -5.13 120.40 112.94 2cuh s VAL 107 Ca 0.66 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 59.18 2cuh s VAL 107 Cb -0.08 -0.15 0.10 0.00 -1.53 0.00 0.00 36.38 34.73 2cuh s VAL 107 CO 0.48 -0.27 0.21 0.28 -3.33 0.00 0.00 175.10 172.47 2cuh s THR 108 N -0.78 3.54 -0.69 5.04 -1.32 -1.26 -5.05 115.64 115.11 2cuh s THR 108 Ca -0.09 -1.84 -0.26 0.00 -1.21 0.00 0.00 61.69 58.29 2cuh s THR 108 Cb -0.05 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.58 2cuh s THR 108 CO -0.01 -0.61 1.89 -2.16 -2.21 0.00 0.00 174.62 171.52 2cuh s PRO 109 N 1.23 2.60 0.45 7.08 0.04 -1.26 -4.83 135.00 140.31 2cuh s PRO 109 Ca 0.06 0.36 0.17 0.00 0.04 0.00 0.00 61.00 61.63 2cuh s PRO 109 Cb -0.23 -4.58 1.13 0.00 0.04 0.00 0.00 34.50 30.86 2cuh s PRO 109 CO -0.02 -2.92 1.96 0.77 0.04 0.00 0.00 177.00 176.82 2cuh h SER 110 N 13.95 0.29 0.00 6.66 0.02 -2.08 -3.42 113.55 128.97 2cuh h SER 110 Ca -0.16 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.52 2cuh h SER 110 Cb 1.12 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 2cuh h SER 110 CO 1.22 0.16 1.18 0.61 -1.14 0.00 0.00 176.83 178.85 2cuh n GLY 111 N -1.55 -0.31 0.27 -3.77 0.00 -1.26 -4.70 105.19 93.87 2cuh n GLY 111 Ca 0.12 0.45 0.16 0.00 0.00 0.00 0.00 46.02 46.75 2cuh n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuh h PRO 112 N 7.35 0.00 -6.38 1.61 0.13 -2.03 -3.47 132.00 129.21 2cuh h PRO 112 Ca -0.01 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.64 2cuh h PRO 112 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2cuh h PRO 112 CO 0.94 0.04 -0.86 0.43 -0.23 0.00 0.00 178.00 178.32 2cuh n SER 113 N -3.17 -1.13 -4.80 1.44 7.64 -1.26 -4.92 113.62 107.42 2cuh n SER 113 Ca 0.00 -0.94 -0.34 0.00 1.01 0.00 0.00 58.87 58.61 2cuh n SER 113 Cb 0.31 -3.38 -0.04 0.00 -1.01 0.00 0.00 64.21 60.09 2cuh n SER 113 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cuh s SER 114 N -4.20 6.40 0.00 6.43 1.04 -1.26 -5.33 113.70 116.77 2cuh s SER 114 Ca 0.11 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.41 2cuh s SER 114 Cb -0.06 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2cuh s SER 114 CO 0.87 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.95