#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 5.99 0.86 1.61 0.15 -1.26 -4.99 113.70 116.06 2cuh s SER 2 Ca 0.00 0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.99 2cuh s SER 2 Cb 0.00 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 2cuh s SER 2 CO 0.00 -1.79 1.14 -0.44 1.20 0.00 0.00 173.24 173.35 2cuh s SER 3 N 5.12 3.44 -0.35 5.45 0.01 -1.26 -4.91 113.70 121.20 2cuh s SER 3 Ca 0.58 2.11 0.15 0.00 1.31 0.00 0.00 55.95 60.10 2cuh s SER 3 Cb -0.13 -2.56 0.43 0.00 0.21 0.00 0.00 66.02 63.97 2cuh s SER 3 CO 0.26 -2.75 1.04 0.61 0.41 0.00 0.00 173.24 172.81 2cuh n GLY 4 N -0.16 1.62 3.69 3.44 0.00 -1.26 -4.89 105.19 107.63 2cuh n GLY 4 Ca 0.11 -0.97 -0.50 0.00 0.00 0.00 0.00 46.02 44.66 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cuh n SER 5 N -0.15 3.24 -3.16 1.61 3.41 -1.26 -0.92 113.62 116.39 2cuh n SER 5 Ca 0.07 1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 59.48 2cuh n SER 5 Cb 0.81 -1.33 0.07 0.00 -0.26 0.00 0.00 64.21 63.50 2cuh n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cuh n SER 6 N 6.28 -5.33 0.00 4.04 7.64 -1.26 -4.75 113.62 120.24 2cuh n SER 6 Ca 0.23 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2cuh n SER 6 Cb 0.26 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 2cuh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cuh n GLY 7 N -1.72 -0.90 0.00 0.23 0.00 -0.09 -5.05 105.19 97.65 2cuh n GLY 7 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.06 -0.26 -0.40 1.61 -0.04 -1.26 -4.79 135.00 129.81 2cuh n PRO 8 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2cuh n PRO 8 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2cuh n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2cuh n ASP 9 N -1.87 0.96 -0.77 3.54 2.03 -1.26 -5.02 116.55 114.17 2cuh n ASP 9 Ca 0.00 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.85 2cuh n ASP 9 Cb 0.00 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cuh n GLY 10 N -0.53 5.15 3.71 0.27 0.00 -1.26 -4.85 105.19 107.67 2cuh n GLY 10 Ca 0.07 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.61 4.32 0.27 1.61 0.04 -1.26 -4.48 135.00 134.89 2cuh s PRO 11 Ca 0.00 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2cuh s PRO 11 Cb 0.00 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2cuh s PRO 11 CO 0.00 -0.47 0.12 0.95 0.04 0.00 0.00 177.00 177.64 2cuh s THR 12 N 1.49 0.43 -1.42 1.26 -4.23 -1.24 -4.52 115.64 107.40 2cuh s THR 12 Ca 0.64 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 2cuh s THR 12 Cb -0.35 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2cuh s THR 12 CO 0.29 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.70 2cuh n GLN 13 N -0.49 -3.16 -1.63 3.99 1.13 -1.26 -2.60 117.38 113.35 2cuh n GLN 13 Ca 0.00 0.82 -0.44 0.00 -1.94 0.00 0.00 57.00 55.45 2cuh n GLN 13 Cb 0.66 -5.38 -0.03 0.00 0.11 0.00 0.00 30.24 25.59 2cuh n GLN 13 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2cuh n LEU 14 N -3.15 3.61 -4.32 1.08 7.94 -1.26 -4.73 117.00 116.16 2cuh n LEU 14 Ca -0.14 0.61 -0.17 0.00 -1.11 0.00 0.00 56.01 55.19 2cuh n LEU 14 Cb 0.63 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.97 2cuh n LEU 14 CO 0.35 -0.23 -0.43 -0.60 -1.11 0.00 0.00 177.39 175.36 2cuh s ARG 15 N 5.27 1.26 -0.27 1.96 3.52 -1.01 -4.90 118.95 124.79 2cuh s ARG 15 Ca 0.95 -1.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2cuh s ARG 15 Cb -0.45 -1.01 0.08 0.00 -1.56 0.00 0.00 34.95 32.01 2cuh s ARG 15 CO 0.41 0.16 0.01 0.00 -0.81 0.00 0.00 175.30 175.07 2cuh s ALA 16 N -3.04 1.90 0.79 6.12 0.00 -1.26 -3.58 121.76 122.69 2cuh s ALA 16 Ca 0.21 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 2cuh s ALA 16 Cb -0.00 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.65 2cuh s ALA 16 CO 0.05 -1.39 1.14 -1.17 0.00 0.00 0.00 175.76 174.39 2cuh s LEU 17 N 1.42 2.56 -0.95 0.00 2.96 -1.26 -4.92 118.68 118.49 2cuh s LEU 17 Ca 0.01 0.97 -0.24 0.00 -0.22 0.00 0.00 54.13 54.65 2cuh s LEU 17 Cb -0.18 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2cuh s LEU 17 CO -0.11 -1.83 1.90 0.20 -1.32 0.00 0.00 176.35 175.19 2cuh s ASN 18 N -4.37 5.26 0.49 3.68 0.01 -1.26 -4.93 114.94 113.82 2cuh s ASN 18 Ca 0.61 -0.88 0.08 0.00 -0.71 0.00 0.00 52.86 51.96 2cuh s ASN 18 Cb -0.12 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.01 2cuh s ASN 18 CO 0.51 -2.67 0.54 -1.48 -1.51 0.00 0.00 177.10 172.49 2cuh s LEU 19 N 9.72 3.20 0.28 0.60 2.34 -1.26 -4.34 118.68 129.22 2cuh s LEU 19 Ca 0.68 -0.83 -0.15 0.00 0.06 0.00 0.00 54.13 53.89 2cuh s LEU 19 Cb -0.05 -1.85 -0.11 0.00 -0.56 0.00 0.00 46.19 43.62 2cuh s LEU 19 CO 0.00 -0.97 0.06 1.07 -1.06 0.00 0.00 176.35 175.45 2cuh n THR 20 N -1.85 0.45 -0.19 5.48 5.66 -1.26 -4.51 114.28 118.06 2cuh n THR 20 Ca 0.07 -0.35 -0.13 0.00 -3.05 0.00 0.00 64.05 60.59 2cuh n THR 20 Cb 0.62 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.49 2cuh n THR 20 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2cuh n GLU 21 N 0.93 1.67 0.00 1.09 -0.00 -1.25 -4.08 120.64 118.99 2cuh n GLU 21 Ca 0.08 -1.61 0.00 0.00 -0.00 0.00 0.00 57.16 55.63 2cuh n GLU 21 Cb 0.28 -1.63 0.00 0.00 -0.00 0.00 0.00 31.44 30.09 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cuh n GLY 22 N -0.38 0.00 2.84 -1.84 0.00 -1.26 -3.48 105.19 101.06 2cuh n GLY 22 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cuh s PHE 23 N -1.86 1.00 0.31 1.61 -0.12 -1.26 -4.80 117.98 112.86 2cuh s PHE 23 Ca 0.00 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.46 2cuh s PHE 23 Cb 0.00 -0.96 -0.04 0.00 -0.63 0.00 0.00 43.02 41.39 2cuh s PHE 23 CO 0.00 -0.39 0.53 0.00 -0.05 0.00 0.00 175.22 175.32 2cuh s ALA 24 N 1.76 3.68 0.16 1.99 0.00 -1.22 -4.59 121.76 123.54 2cuh s ALA 24 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2cuh s ALA 24 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2cuh s ALA 24 CO -0.06 0.14 0.00 0.14 0.00 0.00 0.00 175.76 175.99 2cuh s VAL 25 N -2.17 0.63 -0.19 0.00 -7.23 -1.26 -0.80 120.40 109.38 2cuh s VAL 25 Ca 0.41 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.54 2cuh s VAL 25 Cb -0.10 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2cuh s VAL 25 CO 0.33 -0.51 0.07 -0.76 -0.31 0.00 0.00 175.10 173.92 2cuh s LEU 26 N -3.15 3.84 -0.22 1.32 1.43 -1.13 -4.90 118.68 115.86 2cuh s LEU 26 Ca 0.23 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2cuh s LEU 26 Cb 0.06 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2cuh s LEU 26 CO 0.03 0.16 -0.07 -2.28 0.23 0.00 0.00 176.35 174.42 2cuh s HIS 27 N 0.48 2.96 0.12 0.29 2.46 -1.24 -2.99 115.29 117.37 2cuh s HIS 27 Ca 0.04 -1.19 0.06 0.00 0.47 0.00 0.00 55.06 54.44 2cuh s HIS 27 Cb -0.12 -2.07 -0.04 0.00 -0.13 0.00 0.00 32.58 30.22 2cuh s HIS 27 CO 0.01 -0.63 -0.14 1.67 -2.47 0.00 0.00 174.74 173.17 2cuh s TRP 28 N 1.42 1.39 -0.19 3.88 -2.14 -1.22 -2.41 118.94 119.66 2cuh s TRP 28 Ca 0.04 -0.55 -0.15 0.00 2.66 0.00 0.00 56.10 58.11 2cuh s TRP 28 Cb -0.15 -0.73 -0.04 0.00 -3.10 0.00 0.00 33.47 29.45 2cuh s TRP 28 CO -0.05 0.14 0.34 0.15 -2.66 0.00 0.00 176.95 174.87 2cuh s LYS 29 N -2.59 4.19 -0.01 3.25 1.02 -1.07 -4.83 119.74 119.70 2cuh s LYS 29 Ca 0.08 0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.89 2cuh s LYS 29 Cb -0.05 -3.50 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 2cuh s LYS 29 CO 0.03 0.06 1.46 -1.25 -0.92 0.00 0.00 175.35 174.72 2cuh s PRO 30 N 1.02 4.26 0.95 -1.68 0.04 -1.26 -3.74 135.00 134.58 2cuh s PRO 30 Ca 0.17 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2cuh s PRO 30 Cb -0.14 -3.64 0.16 0.00 0.04 0.00 0.00 34.50 30.92 2cuh s PRO 30 CO 0.06 -0.64 1.09 -1.25 0.04 0.00 0.00 177.00 176.31 2cuh s PRO 31 N 2.69 0.86 0.23 0.56 0.04 -1.26 -4.87 135.00 133.25 2cuh s PRO 31 Ca 0.66 0.67 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2cuh s PRO 31 Cb -0.32 -1.77 0.60 0.00 0.04 0.00 0.00 34.50 33.04 2cuh s PRO 31 CO 0.27 -2.48 1.11 0.94 0.04 0.00 0.00 177.00 176.88 2cuh n GLN 32 N -4.02 -0.05 -4.31 4.56 -0.06 -1.26 -3.76 117.38 108.47 2cuh n GLN 32 Ca 0.06 1.04 -0.33 0.00 -2.00 0.00 0.00 57.00 55.77 2cuh n GLN 32 Cb 0.56 -1.69 -0.16 0.00 -4.06 0.00 0.00 30.24 24.90 2cuh n GLN 32 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2cuh s ASN 33 N -4.95 3.48 -0.21 1.69 2.47 -1.26 -5.09 114.94 111.07 2cuh s ASN 33 Ca -0.09 -0.54 -0.29 0.00 0.42 0.00 0.00 52.86 52.36 2cuh s ASN 33 Cb 0.21 -1.54 -0.03 0.00 -1.45 0.00 0.00 41.25 38.44 2cuh s ASN 33 CO 0.55 0.04 1.60 -2.16 -3.72 0.00 0.00 177.10 173.41 2cuh s PRO 34 N 1.09 3.83 1.29 0.43 0.04 -1.25 -4.97 135.00 135.46 2cuh s PRO 34 Ca -0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 2cuh s PRO 34 Cb -0.14 -4.02 0.30 0.00 0.04 0.00 0.00 34.50 30.67 2cuh s PRO 34 CO -0.06 -1.26 0.69 1.33 0.04 0.00 0.00 177.00 177.75 2cuh n VAL 35 N 6.33 0.00 -0.06 -0.36 0.24 -1.26 -4.94 118.33 118.29 2cuh n VAL 35 Ca 0.19 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.36 2cuh n VAL 35 Cb 0.45 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 2cuh n VAL 35 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2cuh h ASP 36 N -3.22 0.00 -5.03 -1.34 5.19 -1.87 -3.32 116.42 106.84 2cuh h ASP 36 Ca -0.38 -0.31 -0.15 0.00 -0.62 0.00 0.00 57.03 55.57 2cuh h ASP 36 Cb 1.16 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.47 2cuh h ASP 36 CO 0.25 0.68 -0.64 0.42 -3.12 0.00 0.00 179.24 176.83 2cuh s THR 37 N -1.80 0.12 -0.15 0.35 -4.23 -1.25 0.11 115.64 108.80 2cuh s THR 37 Ca -0.07 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2cuh s THR 37 Cb -0.01 -0.54 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 2cuh s THR 37 CO 0.23 -0.56 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.43 2cuh s TYR 38 N -1.93 3.10 -0.44 3.99 2.02 0.89 -0.77 117.35 124.21 2cuh s TYR 38 Ca -0.11 -0.13 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 2cuh s TYR 38 Cb -0.06 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.57 2cuh s TYR 38 CO -0.02 0.09 0.45 0.34 -1.57 0.00 0.00 175.55 174.84 2cuh s ASP 39 N 0.17 6.19 -0.15 2.29 2.15 -0.06 -2.86 116.67 124.40 2cuh s ASP 39 Ca 0.00 -0.80 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 2cuh s ASP 39 Cb -0.13 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2cuh s ASP 39 CO 0.02 -0.62 0.02 -0.63 -0.17 0.00 0.00 175.17 173.79 2cuh s ILE 40 N 2.12 4.44 -0.14 4.11 1.09 -1.16 -0.86 121.20 130.80 2cuh s ILE 40 Ca 0.11 -0.17 -0.01 0.00 -1.10 0.00 0.00 60.65 59.49 2cuh s ILE 40 Cb -0.18 -2.95 0.03 0.00 -1.06 0.00 0.00 42.46 38.30 2cuh s ILE 40 CO 0.12 0.51 -0.06 -1.58 -0.10 0.00 0.00 174.94 173.84 2cuh s GLN 41 N -0.01 1.39 -0.13 2.79 0.74 -0.10 -3.24 119.66 121.09 2cuh s GLN 41 Ca 0.04 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.07 2cuh s GLN 41 Cb -0.13 -1.76 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 2cuh s GLN 41 CO 0.02 -0.36 -0.06 0.08 -0.55 0.00 0.00 175.29 174.42 2cuh s VAL 42 N 1.70 3.74 0.25 1.34 1.01 -0.94 -1.17 120.40 126.33 2cuh s VAL 42 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2cuh s VAL 42 Cb -0.14 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2cuh s VAL 42 CO -0.08 0.52 0.31 0.42 0.00 0.00 0.00 175.10 176.28 2cuh s THR 43 N 0.08 0.00 -0.10 3.92 -4.23 -0.97 -1.91 115.64 112.43 2cuh s THR 43 Ca -0.01 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.46 2cuh s THR 43 Cb -0.14 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.40 2cuh s THR 43 CO 0.03 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.10 2cuh s ALA 44 N -3.89 -1.91 -1.06 3.99 0.00 -1.26 -2.44 121.76 115.18 2cuh s ALA 44 Ca 0.32 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.38 2cuh s ALA 44 Cb 0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 2cuh s ALA 44 CO 0.13 -0.53 1.94 -1.25 0.00 0.00 0.00 175.76 176.05 2cuh s PRO 45 N -2.25 2.52 0.00 0.00 0.04 -1.26 -2.67 135.00 131.37 2cuh s PRO 45 Ca 0.03 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.28 2cuh s PRO 45 Cb -0.01 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2cuh s PRO 45 CO -0.05 -3.73 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2cuh n GLY 46 N 6.25 1.17 3.85 0.56 0.00 -1.26 -5.10 105.19 110.66 2cuh n GLY 46 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.44 3.20 0.50 4.61 0.00 -1.09 -5.05 121.76 122.50 2cuh s ALA 47 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 2cuh s ALA 47 Cb 0.00 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 2cuh s ALA 47 CO 0.00 0.04 1.15 -1.25 0.00 0.00 0.00 175.76 175.70 2cuh s PRO 48 N -3.56 3.56 0.45 0.00 0.04 -1.26 -4.32 135.00 129.91 2cuh s PRO 48 Ca 0.56 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2cuh s PRO 48 Cb -0.10 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 2cuh s PRO 48 CO 0.24 -0.70 1.17 -1.25 0.04 0.00 0.00 177.00 176.50 2cuh s PRO 49 N -2.99 3.80 -0.04 0.56 0.04 -1.26 -4.77 135.00 130.33 2cuh s PRO 49 Ca 0.68 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.52 2cuh s PRO 49 Cb -0.26 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.85 2cuh s PRO 49 CO 0.31 -0.52 -0.07 -1.17 0.04 0.00 0.00 177.00 175.58 2cuh s LEU 50 N -2.95 1.50 0.01 -3.56 2.96 -0.80 -5.05 118.68 110.80 2cuh s LEU 50 Ca 0.63 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 2cuh s LEU 50 Cb -0.29 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 2cuh s LEU 50 CO 0.35 -0.01 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.61 2cuh s GLN 51 N 0.69 1.39 0.23 1.98 0.74 -1.26 -2.21 119.66 121.22 2cuh s GLN 51 Ca -0.11 -0.77 -0.22 0.00 0.05 0.00 0.00 55.36 54.31 2cuh s GLN 51 Cb -0.13 -1.41 0.04 0.00 1.10 0.00 0.00 33.01 32.60 2cuh s GLN 51 CO 0.01 0.37 0.74 0.00 -0.55 0.00 0.00 175.29 175.87 2cuh s ALA 52 N -0.61 -1.39 0.04 1.58 0.00 -1.20 -5.08 121.76 115.10 2cuh s ALA 52 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2cuh s ALA 52 Cb -0.08 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 2cuh s ALA 52 CO 0.00 -0.97 0.12 -2.00 0.00 0.00 0.00 175.76 172.90 2cuh s GLU 53 N -3.75 0.60 -0.04 0.00 2.56 -1.26 -3.00 118.70 113.81 2cuh s GLU 53 Ca 0.09 -0.71 -0.11 0.00 0.00 0.00 0.00 54.97 54.25 2cuh s GLU 53 Cb -0.04 0.24 0.02 0.00 2.00 0.00 0.00 34.13 36.34 2cuh s GLU 53 CO 0.02 -0.15 0.25 -0.08 -0.56 0.00 0.00 175.26 174.73 2cuh s THR 54 N -2.51 0.05 0.48 -1.70 -1.32 -1.13 -4.97 115.64 104.53 2cuh s THR 54 Ca -0.06 -0.39 -0.22 0.00 -1.21 0.00 0.00 61.69 59.82 2cuh s THR 54 Cb -0.02 -0.49 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 2cuh s THR 54 CO -0.04 -0.21 1.15 -2.16 -2.21 0.00 0.00 174.62 171.15 2cuh s PRO 55 N -0.87 3.65 0.30 7.08 0.04 -1.26 -0.07 135.00 143.87 2cuh s PRO 55 Ca -0.10 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.72 2cuh s PRO 55 Cb -0.05 -2.29 0.80 0.00 0.04 0.00 0.00 34.50 32.99 2cuh s PRO 55 CO 0.02 -0.63 1.69 0.78 0.04 0.00 0.00 177.00 178.90 2cuh h GLY 56 N 1.82 1.63 -0.60 0.56 0.00 -0.42 0.23 103.07 106.28 2cuh h GLY 56 Ca -0.50 -0.17 0.25 0.00 0.00 0.00 0.00 47.33 46.91 2cuh h GLY 56 CO 0.59 -0.31 1.06 1.76 0.00 0.00 0.00 176.54 179.64 2cuh h SER 57 N 0.38 0.00 -3.42 0.19 0.02 -1.84 -3.38 113.55 105.51 2cuh h SER 57 Ca 0.59 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 61.00 2cuh h SER 57 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2cuh h SER 57 CO -0.55 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.05 2cuh s ALA 58 N -4.44 3.55 -0.08 3.77 0.00 0.80 -4.99 121.76 120.38 2cuh s ALA 58 Ca -0.03 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 51.84 2cuh s ALA 58 Cb 0.13 -2.49 0.17 0.00 0.00 0.00 0.00 23.12 20.94 2cuh s ALA 58 CO 0.45 0.48 1.06 1.33 0.00 0.00 0.00 175.76 179.08 2cuh n VAL 59 N 0.18 1.27 -3.59 0.00 0.24 -1.26 -4.94 118.33 110.22 2cuh n VAL 59 Ca -0.01 -1.49 -0.10 0.00 -2.04 0.00 0.00 64.34 60.70 2cuh n VAL 59 Cb 0.52 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.05 -0.36 -0.27 -1.34 1.47 -1.26 -3.41 116.67 109.45 2cuh s ASP 60 Ca 0.19 0.45 -0.02 0.00 1.18 0.00 0.00 52.55 54.35 2cuh s ASP 60 Cb 0.17 0.37 0.09 0.00 -0.34 0.00 0.00 42.92 43.21 2cuh s ASP 60 CO 0.02 -0.29 0.09 -0.47 0.68 0.00 0.00 175.17 175.20 2cuh s TYR 61 N -0.86 1.17 -0.16 2.11 5.04 -1.16 -4.97 117.35 118.53 2cuh s TYR 61 Ca -0.00 -1.26 -0.29 0.00 -2.44 0.00 0.00 57.07 53.08 2cuh s TYR 61 Cb -0.01 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 40.95 2cuh s TYR 61 CO -0.01 -0.78 1.57 -1.25 -1.34 0.00 0.00 175.55 173.74 2cuh s PRO 62 N 1.80 4.00 -0.17 4.97 0.04 -1.26 -2.84 135.00 141.54 2cuh s PRO 62 Ca 0.06 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 2cuh s PRO 62 Cb -0.17 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 2cuh s PRO 62 CO -0.22 -1.05 0.41 -0.51 0.04 0.00 0.00 177.00 175.67 2cuh s LEU 63 N 4.53 4.21 0.42 -3.56 1.43 0.02 -4.97 118.68 120.76 2cuh s LEU 63 Ca 0.69 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2cuh s LEU 63 Cb -0.27 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 2cuh s LEU 63 CO 0.27 -0.03 0.06 -1.38 0.23 0.00 0.00 176.35 175.50 2cuh s HIS 64 N 0.95 2.46 -0.83 0.29 -3.43 -1.26 -3.46 115.29 110.01 2cuh s HIS 64 Ca 0.21 -0.68 -0.01 0.00 -0.80 0.00 0.00 55.06 53.79 2cuh s HIS 64 Cb -0.15 -1.82 0.00 0.00 -1.43 0.00 0.00 32.58 29.19 2cuh s HIS 64 CO 0.08 0.34 0.70 -3.47 -2.00 0.00 0.00 174.74 170.39 2cuh n ASP 65 N -1.09 -2.47 -4.47 7.38 2.03 -1.26 -5.03 116.55 111.64 2cuh n ASP 65 Ca -0.05 -0.41 -0.30 0.00 0.52 0.00 0.00 54.79 54.54 2cuh n ASP 65 Cb 0.66 -3.65 -0.12 0.00 -0.72 0.00 0.00 41.12 37.29 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cuh s LEU 66 N -5.02 2.65 -0.21 -2.67 1.43 -1.26 -5.10 118.68 108.51 2cuh s LEU 66 Ca 0.06 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2cuh s LEU 66 Cb -0.03 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 2cuh s LEU 66 CO 0.50 0.24 1.15 -0.69 0.23 0.00 0.00 176.35 177.78 2cuh s VAL 67 N -0.98 4.47 0.90 -1.59 1.01 -1.26 -5.01 120.40 117.94 2cuh s VAL 67 Ca 0.16 1.77 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 2cuh s VAL 67 Cb -0.11 -4.17 0.14 0.00 0.00 0.00 0.00 36.38 32.24 2cuh s VAL 67 CO 0.07 -0.18 1.12 -0.76 0.00 0.00 0.00 175.10 175.34 2cuh s LEU 68 N 3.40 2.69 -1.48 3.92 2.01 -1.26 -3.40 118.68 124.56 2cuh s LEU 68 Ca 0.49 2.01 -0.12 0.00 0.01 0.00 0.00 54.13 56.53 2cuh s LEU 68 Cb -0.18 -4.43 0.06 0.00 0.01 0.00 0.00 46.19 41.66 2cuh s LEU 68 CO 0.11 -2.92 1.02 1.41 1.01 0.00 0.00 176.35 176.98 2cuh n HIS 69 N -4.11 -2.43 -3.89 0.29 8.25 0.12 -4.98 115.22 108.47 2cuh n HIS 69 Ca 0.10 0.93 -0.11 0.00 -0.26 0.00 0.00 57.72 58.38 2cuh n HIS 69 Cb 0.53 -4.26 -0.13 0.00 1.12 0.00 0.00 29.99 27.25 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 -3.32 0.04 -0.49 1.59 2.01 -1.22 -5.04 115.64 109.21 2cuh s THR 70 Ca 0.61 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 2cuh s THR 70 Cb -0.30 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.10 2cuh s THR 70 CO 0.81 -0.17 0.90 0.21 -0.69 0.00 0.00 174.62 175.68 2cuh s ASN 71 N -0.50 6.42 -0.14 3.53 3.84 -1.26 -3.88 114.94 122.96 2cuh s ASN 71 Ca -0.06 -0.11 -0.04 0.00 0.21 0.00 0.00 52.86 52.87 2cuh s ASN 71 Cb -0.04 -2.43 -0.03 0.00 -0.55 0.00 0.00 41.25 38.20 2cuh s ASN 71 CO -0.00 -1.09 -0.02 -0.31 -2.79 0.00 0.00 177.10 172.89 2cuh s TYR 72 N 3.73 3.08 -0.24 0.43 2.02 -1.25 -4.67 117.35 120.46 2cuh s TYR 72 Ca 0.33 -0.11 -0.07 0.00 -0.37 0.00 0.00 57.07 56.86 2cuh s TYR 72 Cb -0.11 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2cuh s TYR 72 CO 0.23 0.13 0.06 0.99 -1.57 0.00 0.00 175.55 175.39 2cuh s THR 73 N -0.00 4.23 0.11 -0.71 2.01 -1.02 -3.89 115.64 116.37 2cuh s THR 73 Ca 0.02 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.89 2cuh s THR 73 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2cuh s THR 73 CO 0.02 0.35 -0.07 0.00 -0.69 0.00 0.00 174.62 174.24 2cuh s ALA 74 N 1.53 3.04 -0.08 7.40 0.00 -1.22 -2.30 121.76 130.13 2cuh s ALA 74 Ca 0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2cuh s ALA 74 Cb -0.15 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2cuh s ALA 74 CO 0.03 0.63 -0.00 0.99 0.00 0.00 0.00 175.76 177.40 2cuh s THR 75 N -1.31 0.44 -0.11 0.00 2.01 -0.32 -2.63 115.64 113.73 2cuh s THR 75 Ca 0.23 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 2cuh s THR 75 Cb -0.11 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2cuh s THR 75 CO 0.15 0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.60 2cuh s VAL 76 N 1.94 3.81 0.16 3.82 1.01 0.61 -0.93 120.40 130.83 2cuh s VAL 76 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2cuh s VAL 76 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2cuh s VAL 76 CO -0.06 0.55 -0.11 -0.13 0.00 0.00 0.00 175.10 175.36 2cuh s ARG 77 N -0.30 1.12 -0.19 2.72 0.52 -0.04 -0.42 118.95 122.36 2cuh s ARG 77 Ca 0.05 -1.48 -0.05 0.00 -0.52 0.00 0.00 55.73 53.73 2cuh s ARG 77 Cb -0.13 -0.74 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 2cuh s ARG 77 CO 0.02 0.10 -0.00 0.20 0.02 0.00 0.00 175.30 175.64 2cuh s GLY 78 N -3.20 1.73 -0.61 -3.53 0.00 -1.26 -0.88 107.32 99.57 2cuh s GLY 78 Ca 0.18 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.77 2cuh s GLY 78 CO 0.02 0.16 0.78 1.08 0.00 0.00 0.00 173.10 175.14 2cuh s LEU 79 N 0.81 5.11 -0.47 0.66 2.01 0.05 -1.16 118.68 125.68 2cuh s LEU 79 Ca 0.00 -1.32 0.01 0.00 0.01 0.00 0.00 54.13 52.83 2cuh s LEU 79 Cb -0.14 -2.34 0.13 0.00 0.01 0.00 0.00 46.19 43.85 2cuh s LEU 79 CO 0.02 -1.21 0.24 -0.13 1.01 0.00 0.00 176.35 176.28 2cuh s ARG 80 N 3.08 1.99 3.65 1.70 1.81 -1.10 -2.44 118.95 127.63 2cuh s ARG 80 Ca 0.15 -2.23 0.00 0.00 -1.72 0.00 0.00 55.73 51.93 2cuh s ARG 80 Cb -0.22 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 30.83 2cuh s ARG 80 CO 0.07 -1.07 0.00 0.41 -0.68 0.00 0.00 175.30 174.03 2cuh n GLY 81 N 3.83 0.68 0.00 -3.53 0.00 -1.26 -2.56 105.19 102.36 2cuh n GLY 81 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.67 1.61 -0.04 -1.26 -4.74 135.00 126.39 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 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.82 3.71 0.24 3.54 0.01 -1.06 -5.17 114.94 114.40 2cuh s ASN 83 Ca 0.15 -1.58 0.06 0.00 -0.71 0.00 0.00 52.86 50.77 2cuh s ASN 83 Cb 0.07 0.29 -0.05 0.00 0.41 0.00 0.00 41.25 41.97 2cuh s ASN 83 CO 0.11 -0.77 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.12 2cuh s LEU 84 N -3.77 2.40 0.56 0.60 1.43 -1.26 -2.72 118.68 115.92 2cuh s LEU 84 Ca 0.17 -1.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.19 2cuh s LEU 84 Cb 0.04 -0.50 0.07 0.00 0.03 0.00 0.00 46.19 45.83 2cuh s LEU 84 CO 0.09 -0.38 0.70 0.42 0.23 0.00 0.00 176.35 177.41 2cuh s THR 85 N -3.17 2.09 0.14 5.49 -4.23 -0.31 -4.90 115.64 110.76 2cuh s THR 85 Ca 0.27 -1.10 -0.31 0.00 -1.18 0.00 0.00 61.69 59.37 2cuh s THR 85 Cb 0.04 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 2cuh s THR 85 CO 0.09 0.00 1.46 -0.94 -0.54 0.00 0.00 174.62 174.69 2cuh s SER 86 N -4.57 6.72 0.46 3.99 1.04 -1.26 -4.51 113.70 115.57 2cuh s SER 86 Ca 0.56 2.46 -0.23 0.00 0.48 0.00 0.00 55.95 59.22 2cuh s SER 86 Cb -0.05 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 2cuh s SER 86 CO 0.35 -0.72 1.16 -2.16 0.98 0.00 0.00 173.24 172.85 2cuh s PRO 87 N 1.02 3.75 -0.12 4.02 0.04 -1.26 -4.56 135.00 137.89 2cuh s PRO 87 Ca 0.66 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 63.45 2cuh s PRO 87 Cb -0.40 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 31.78 2cuh s PRO 87 CO 0.31 -0.56 0.03 0.00 0.04 0.00 0.00 177.00 176.82 2cuh s ALA 88 N -1.55 0.71 0.26 8.56 0.00 0.44 -4.97 121.76 125.21 2cuh s ALA 88 Ca 0.64 -0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.41 2cuh s ALA 88 Cb -0.29 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 2cuh s ALA 88 CO 0.35 -0.78 -0.15 0.45 0.00 0.00 0.00 175.76 175.62 2cuh s SER 89 N 1.98 3.84 0.06 0.00 0.15 -1.26 -0.28 113.70 118.19 2cuh s SER 89 Ca 0.03 -0.88 -0.07 0.00 0.70 0.00 0.00 55.95 55.72 2cuh s SER 89 Cb -0.14 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.71 2cuh s SER 89 CO -0.06 0.05 0.15 -0.51 1.20 0.00 0.00 173.24 174.06 2cuh s ILE 90 N -2.30 0.14 -0.32 6.45 2.07 -1.08 -4.93 121.20 121.23 2cuh s ILE 90 Ca 0.29 -1.13 -0.04 0.00 -1.41 0.00 0.00 60.65 58.36 2cuh s ILE 90 Cb -0.06 -1.11 0.04 0.00 0.13 0.00 0.00 42.46 41.46 2cuh s ILE 90 CO 0.15 -0.62 0.05 -0.89 -1.91 0.00 0.00 174.94 171.72 2cuh s THR 91 N -3.15 3.39 0.03 4.00 2.01 -1.26 -3.42 115.64 117.23 2cuh s THR 91 Ca -0.00 -1.22 0.06 0.00 0.31 0.00 0.00 61.69 60.84 2cuh s THR 91 Cb 0.02 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 2cuh s THR 91 CO -0.07 -0.12 -0.18 0.72 -0.69 0.00 0.00 174.62 174.28 2cuh s PHE 92 N 1.34 1.60 -0.24 4.92 -0.71 -1.25 -5.00 117.98 118.63 2cuh s PHE 92 Ca -0.03 -0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 55.42 2cuh s PHE 92 Cb -0.19 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.60 2cuh s PHE 92 CO 0.01 0.04 0.14 0.99 -1.34 0.00 0.00 175.22 175.06 2cuh s THR 93 N -0.70 5.10 -0.02 -4.49 2.01 -1.26 -3.79 115.64 112.50 2cuh s THR 93 Ca 0.06 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 2cuh s THR 93 Cb -0.08 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2cuh s THR 93 CO 0.01 0.33 0.79 0.42 -0.69 0.00 0.00 174.62 175.48 2cuh s THR 94 N 1.25 4.91 0.00 -0.82 -4.23 -1.25 -4.06 115.64 111.43 2cuh s THR 94 Ca 0.07 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 2cuh s THR 94 Cb -0.14 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.56 2cuh s THR 94 CO 0.06 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2cuh n GLY 95 N 2.84 2.13 1.73 3.99 0.00 -1.23 0.13 105.19 114.78 2cuh n GLY 95 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 5.75 -3.64 0.99 7.94 -1.26 -4.72 117.00 122.07 2cuh n LEU 96 Ca 0.00 -2.85 -0.11 0.00 -1.11 0.00 0.00 56.01 51.93 2cuh n LEU 96 Cb 0.00 -1.14 -0.11 0.00 0.53 0.00 0.00 43.42 42.69 2cuh n LEU 96 CO 0.00 1.19 -0.07 -1.61 -1.11 0.00 0.00 177.39 175.79 2cuh s GLU 97 N -0.55 0.23 -0.15 1.96 0.41 -1.26 -4.92 118.70 114.42 2cuh s GLU 97 Ca 0.20 0.83 -0.19 0.00 -0.41 0.00 0.00 54.97 55.40 2cuh s GLU 97 Cb 0.13 0.05 0.05 0.00 -1.78 0.00 0.00 34.13 32.58 2cuh s GLU 97 CO -0.01 -0.30 0.51 0.00 -0.49 0.00 0.00 175.26 174.97 2cuh s ALA 98 N 2.50 -1.29 -1.01 5.21 0.00 -1.26 -3.83 121.76 122.09 2cuh s ALA 98 Ca 0.01 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.42 2cuh s ALA 98 Cb -0.12 -0.63 0.61 0.00 0.00 0.00 0.00 23.12 22.98 2cuh s ALA 98 CO -0.11 -0.26 1.45 -0.35 0.00 0.00 0.00 175.76 176.49 2cuh n PRO 99 N 2.36 0.00 -4.67 0.00 -0.04 -1.26 -4.77 135.00 126.63 2cuh n PRO 99 Ca -0.15 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 2cuh n PRO 99 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 2cuh n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cuh s ARG 100 N -2.99 2.08 0.19 0.54 1.81 -1.26 -5.10 118.95 114.22 2cuh s ARG 100 Ca 0.07 -2.29 -0.32 0.00 -1.72 0.00 0.00 55.73 51.47 2cuh s ARG 100 Cb 0.09 -1.27 -0.11 0.00 -0.45 0.00 0.00 34.95 33.21 2cuh s ARG 100 CO 0.26 -0.35 1.63 0.34 -0.68 0.00 0.00 175.30 176.50 2cuh s ASP 101 N -3.77 6.49 0.04 0.23 -1.08 -1.26 -4.93 116.67 112.40 2cuh s ASP 101 Ca 0.15 2.74 -0.27 0.00 -0.52 0.00 0.00 52.55 54.64 2cuh s ASP 101 Cb 0.03 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.72 2cuh s ASP 101 CO 0.08 -0.89 1.45 -0.07 0.52 0.00 0.00 175.17 176.26 2cuh h LEU 102 N 6.70 -0.42 -8.49 -1.34 3.38 -1.99 -3.39 115.31 109.75 2cuh h LEU 102 Ca -0.43 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 57.13 2cuh h LEU 102 Cb 1.20 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2cuh h LEU 102 CO 0.93 -0.17 1.16 1.21 0.09 0.00 0.00 178.44 181.67 2cuh n GLU 103 N -5.23 0.84 -3.35 1.13 0.00 -1.26 -4.90 120.64 107.86 2cuh n GLU 103 Ca -0.10 -0.26 -0.43 0.00 0.00 0.00 0.00 57.16 56.37 2cuh n GLU 103 Cb 0.26 -3.41 -0.09 0.00 0.00 0.00 0.00 31.44 28.20 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cuh s ALA 104 N 12.73 3.44 0.32 4.31 0.00 -1.26 -5.06 121.76 136.24 2cuh s ALA 104 Ca 0.99 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 2cuh s ALA 104 Cb -0.21 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2cuh s ALA 104 CO 0.22 -1.49 1.10 0.15 0.00 0.00 0.00 175.76 175.74 2cuh s LYS 105 N 2.07 4.46 -0.27 0.00 1.02 -1.26 -5.04 119.74 120.73 2cuh s LYS 105 Ca 0.11 1.74 -0.01 0.00 0.02 0.00 0.00 55.97 57.84 2cuh s LYS 105 Cb -0.17 -2.97 0.15 0.00 -0.52 0.00 0.00 37.83 34.32 2cuh s LYS 105 CO 0.13 0.06 0.41 -2.00 -0.92 0.00 0.00 175.35 173.03 2cuh s GLU 106 N -1.80 0.39 -0.07 1.68 2.56 -1.26 -5.15 118.70 115.06 2cuh s GLU 106 Ca 0.49 0.40 0.03 0.00 0.00 0.00 0.00 54.97 55.89 2cuh s GLU 106 Cb -0.29 -0.32 -0.02 0.00 2.00 0.00 0.00 34.13 35.49 2cuh s GLU 106 CO 0.38 -0.81 -0.13 0.14 -0.56 0.00 0.00 175.26 174.27 2cuh s VAL 107 N 2.57 3.13 -0.05 3.70 -7.23 -1.26 -5.12 120.40 116.14 2cuh s VAL 107 Ca 0.12 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2cuh s VAL 107 Cb -0.14 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2cuh s VAL 107 CO -0.22 0.58 0.04 0.42 -0.31 0.00 0.00 175.10 175.60 2cuh s THR 108 N -0.51 4.52 0.63 5.32 -4.23 -1.26 -5.12 115.64 115.00 2cuh s THR 108 Ca 0.07 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2cuh s THR 108 Cb -0.12 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.90 2cuh s THR 108 CO 0.02 0.49 0.56 -0.81 -0.54 0.00 0.00 174.62 174.34 2cuh n PRO 109 N 1.70 -2.12 -3.65 3.99 -0.04 -1.26 -5.10 135.00 128.52 2cuh n PRO 109 Ca -0.16 -0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 62.28 2cuh n PRO 109 Cb 0.53 -0.84 -0.08 0.00 -0.04 0.00 0.00 33.50 33.07 2cuh n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cuh s SER 110 N -3.03 -0.75 0.52 3.54 0.15 -1.26 -5.15 113.70 107.72 2cuh s SER 110 Ca 0.37 1.35 -0.19 0.00 0.70 0.00 0.00 55.95 58.18 2cuh s SER 110 Cb -0.04 1.33 -0.11 0.00 -1.71 0.00 0.00 66.02 65.49 2cuh s SER 110 CO 0.28 -0.23 0.40 0.61 1.20 0.00 0.00 173.24 175.50 2cuh n GLY 111 N 3.23 -1.84 3.52 9.45 0.00 -1.26 -4.96 105.19 113.33 2cuh n GLY 111 Ca -0.16 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2cuh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 112 N 0.43 -3.17 -3.54 1.61 -0.04 -1.26 -5.08 135.00 123.95 2cuh n PRO 112 Ca 0.11 -1.76 -0.24 0.00 -0.04 0.00 0.00 63.50 61.57 2cuh n PRO 112 Cb 0.45 -1.65 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2cuh n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cuh s SER 113 N -4.47 4.79 0.51 3.54 0.15 -1.26 -5.14 113.70 111.82 2cuh s SER 113 Ca 0.71 -1.12 0.09 0.00 0.70 0.00 0.00 55.95 56.33 2cuh s SER 113 Cb -0.07 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 2cuh s SER 113 CO 0.55 -1.26 0.69 -0.94 1.20 0.00 0.00 173.24 173.48 2cuh s SER 114 N -4.47 5.34 0.00 5.45 1.04 -1.26 -5.34 113.70 114.46 2cuh s SER 114 Ca 0.45 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2cuh s SER 114 Cb -0.04 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2cuh s SER 114 CO 0.29 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.03