#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 2.32 -0.14 1.61 0.01 -1.26 -5.15 113.70 111.10 2cuh s SER 2 Ca 0.00 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 2cuh s SER 2 Cb 0.00 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.19 2cuh s SER 2 CO 0.00 -0.22 0.30 -0.94 0.41 0.00 0.00 173.24 172.79 2cuh s SER 3 N -3.26 -0.04 0.00 2.44 1.04 -1.26 -5.15 113.70 107.47 2cuh s SER 3 Ca 0.21 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2cuh s SER 3 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2cuh s SER 3 CO 0.05 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2cuh n GLY 4 N 4.84 1.41 3.18 7.32 0.00 -1.26 -5.08 105.19 115.60 2cuh n GLY 4 Ca -0.15 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 2cuh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuh s SER 5 N 0.00 5.71 -0.12 1.61 0.01 -1.26 -5.04 113.70 114.62 2cuh s SER 5 Ca 0.00 -2.53 -0.00 0.00 1.31 0.00 0.00 55.95 54.73 2cuh s SER 5 Cb 0.00 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.28 2cuh s SER 5 CO 0.00 -0.51 -0.08 -0.94 0.41 0.00 0.00 173.24 172.12 2cuh s SER 6 N 1.61 2.29 -0.69 2.44 1.04 -1.26 -5.06 113.70 114.07 2cuh s SER 6 Ca 0.14 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2cuh s SER 6 Cb -0.20 -0.89 0.25 0.00 0.10 0.00 0.00 66.02 65.29 2cuh s SER 6 CO -0.04 -0.12 0.82 0.61 0.98 0.00 0.00 173.24 175.49 2cuh n GLY 7 N 4.92 4.83 1.95 7.32 0.00 -1.26 -5.03 105.19 117.91 2cuh n GLY 7 Ca -0.13 -2.76 -0.17 0.00 0.00 0.00 0.00 46.02 42.96 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 0.95 -2.21 0.00 1.61 -0.04 -1.26 -4.96 135.00 129.09 2cuh n PRO 8 Ca 0.29 -0.97 0.13 0.00 -0.04 0.00 0.00 63.50 62.91 2cuh n PRO 8 Cb 0.40 -0.91 0.34 0.00 -0.04 0.00 0.00 33.50 33.28 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cuh n ASP 9 N -4.04 1.48 -3.10 3.54 5.68 -1.26 -4.70 116.55 114.15 2cuh n ASP 9 Ca 0.08 -1.26 -0.10 0.00 -0.50 0.00 0.00 54.79 53.02 2cuh n ASP 9 Cb 0.33 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cuh n GLY 10 N 1.31 2.89 3.75 6.12 0.00 -1.26 -4.69 105.19 113.30 2cuh n GLY 10 Ca 0.14 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.88 4.43 0.16 1.61 0.04 -1.26 -4.43 135.00 132.66 2cuh s PRO 11 Ca 0.13 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 2cuh s PRO 11 Cb -0.01 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2cuh s PRO 11 CO 0.08 -0.14 0.06 0.95 0.04 0.00 0.00 177.00 177.99 2cuh s THR 12 N -0.48 0.23 -1.17 1.26 -4.23 -1.23 -4.54 115.64 105.48 2cuh s THR 12 Ca 0.52 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2cuh s THR 12 Cb -0.36 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.30 2cuh s THR 12 CO 0.43 -0.35 1.02 0.00 -0.54 0.00 0.00 174.62 175.18 2cuh n GLN 13 N -0.18 -6.83 -2.22 3.99 1.13 -1.26 -3.03 117.38 108.99 2cuh n GLN 13 Ca -0.04 0.72 -0.40 0.00 -1.94 0.00 0.00 57.00 55.34 2cuh n GLN 13 Cb 0.64 -5.44 -0.03 0.00 0.11 0.00 0.00 30.24 25.53 2cuh n GLN 13 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2cuh s LEU 14 N -6.41 4.43 0.09 1.08 2.96 -1.26 -4.68 118.68 114.89 2cuh s LEU 14 Ca 0.46 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 56.91 2cuh s LEU 14 Cb -0.20 -3.68 -0.03 0.00 0.50 0.00 0.00 46.19 42.77 2cuh s LEU 14 CO 0.63 -0.46 0.04 -0.13 -1.32 0.00 0.00 176.35 175.11 2cuh s ARG 15 N -1.76 0.77 -0.47 1.98 0.52 -1.21 -4.98 118.95 113.79 2cuh s ARG 15 Ca 0.49 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.29 2cuh s ARG 15 Cb -0.37 0.24 0.07 0.00 0.52 0.00 0.00 34.95 35.42 2cuh s ARG 15 CO 0.49 -0.19 0.40 0.00 0.02 0.00 0.00 175.30 176.01 2cuh s ALA 16 N -3.96 3.56 0.89 2.13 0.00 -1.26 -4.11 121.76 119.01 2cuh s ALA 16 Ca 0.13 -2.13 -0.13 0.00 0.00 0.00 0.00 51.96 49.83 2cuh s ALA 16 Cb 0.07 -3.07 0.13 0.00 0.00 0.00 0.00 23.12 20.25 2cuh s ALA 16 CO -0.06 -1.74 1.17 -0.51 0.00 0.00 0.00 175.76 174.63 2cuh s LEU 17 N 1.63 2.21 0.02 0.00 2.01 -1.26 -4.98 118.68 118.31 2cuh s LEU 17 Ca 0.04 0.81 -0.30 0.00 0.01 0.00 0.00 54.13 54.69 2cuh s LEU 17 Cb -0.24 -3.15 -0.06 0.00 0.01 0.00 0.00 46.19 42.75 2cuh s LEU 17 CO 0.06 -2.39 1.37 0.20 1.01 0.00 0.00 176.35 176.60 2cuh s ASN 18 N -4.31 6.87 0.77 2.29 0.01 -1.26 -4.91 114.94 114.40 2cuh s ASN 18 Ca 0.64 2.12 -0.14 0.00 -0.71 0.00 0.00 52.86 54.78 2cuh s ASN 18 Cb -0.12 -2.57 0.06 0.00 0.41 0.00 0.00 41.25 39.03 2cuh s ASN 18 CO 0.52 -0.68 1.18 -0.76 -1.51 0.00 0.00 177.10 175.85 2cuh s LEU 19 N 2.10 3.21 -0.15 0.60 1.02 -1.26 -4.89 118.68 119.31 2cuh s LEU 19 Ca 0.63 2.27 0.01 0.00 0.02 0.00 0.00 54.13 57.06 2cuh s LEU 19 Cb -0.32 -4.58 0.21 0.00 0.02 0.00 0.00 46.19 41.53 2cuh s LEU 19 CO 0.27 -2.39 1.35 1.07 0.02 0.00 0.00 176.35 176.67 2cuh n THR 20 N -3.07 1.77 -2.98 5.49 5.66 -1.17 -4.79 114.28 115.19 2cuh n THR 20 Ca 0.13 -0.67 -0.22 0.00 -3.05 0.00 0.00 64.05 60.23 2cuh n THR 20 Cb 0.51 -0.87 0.03 0.00 -1.55 0.00 0.00 70.33 68.45 2cuh n THR 20 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cuh n GLU 21 N 0.02 -4.60 0.02 1.09 1.02 -1.26 -4.57 120.64 112.37 2cuh n GLU 21 Ca 0.19 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 2cuh n GLU 21 Cb 0.86 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.53 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cuh n GLY 22 N -1.47 -0.61 2.93 0.62 0.00 -1.26 -5.11 105.19 100.29 2cuh n GLY 22 Ca -0.12 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 0.27 0.12 1.61 -0.12 -1.26 -4.90 117.98 111.70 2cuh s PHE 23 Ca 0.00 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.73 2cuh s PHE 23 Cb 0.00 -0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 2cuh s PHE 23 CO 0.00 -0.02 0.32 0.00 -0.05 0.00 0.00 175.22 175.47 2cuh s ALA 24 N -0.27 3.86 0.25 1.99 0.00 -1.22 -3.06 121.76 123.31 2cuh s ALA 24 Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2cuh s ALA 24 Cb -0.02 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 2cuh s ALA 24 CO -0.00 0.72 -0.07 0.14 0.00 0.00 0.00 175.76 176.55 2cuh s VAL 25 N -1.61 1.55 -0.10 0.00 -7.23 -1.26 -0.94 120.40 110.81 2cuh s VAL 25 Ca 0.39 -2.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2cuh s VAL 25 Cb -0.12 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2cuh s VAL 25 CO 0.26 -0.40 0.04 -0.76 -0.31 0.00 0.00 175.10 173.93 2cuh s LEU 26 N -3.38 3.79 -0.16 1.32 1.43 -1.09 -4.59 118.68 116.00 2cuh s LEU 26 Ca 0.27 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2cuh s LEU 26 Cb 0.03 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2cuh s LEU 26 CO 0.10 0.37 -0.13 -1.00 0.23 0.00 0.00 176.35 175.91 2cuh s HIS 27 N -0.82 2.22 0.10 0.29 3.76 -1.26 -2.83 115.29 116.74 2cuh s HIS 27 Ca 0.13 -1.30 0.06 0.00 -0.15 0.00 0.00 55.06 53.80 2cuh s HIS 27 Cb -0.12 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 2cuh s HIS 27 CO 0.03 -0.69 -0.15 1.67 -0.85 0.00 0.00 174.74 174.75 2cuh s TRP 28 N 1.47 1.36 -0.16 1.40 -2.14 -1.25 -3.34 118.94 116.28 2cuh s TRP 28 Ca 0.04 -0.49 -0.17 0.00 2.66 0.00 0.00 56.10 58.14 2cuh s TRP 28 Cb -0.14 -0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 29.45 2cuh s TRP 28 CO -0.10 0.11 0.42 0.15 -2.66 0.00 0.00 176.95 174.87 2cuh s LYS 29 N -2.14 4.26 0.03 3.25 3.01 -1.17 -4.84 119.74 122.14 2cuh s LYS 29 Ca 0.04 0.29 -0.30 0.00 -1.01 0.00 0.00 55.97 54.99 2cuh s LYS 29 Cb -0.08 -3.47 -0.06 0.00 -1.01 0.00 0.00 37.83 33.20 2cuh s LYS 29 CO 0.03 0.09 1.42 -1.25 0.51 0.00 0.00 175.35 176.15 2cuh s PRO 30 N 0.88 4.28 1.09 -1.68 0.04 -1.26 -3.57 135.00 134.78 2cuh s PRO 30 Ca 0.22 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.13 2cuh s PRO 30 Cb -0.15 -3.51 0.24 0.00 0.04 0.00 0.00 34.50 31.12 2cuh s PRO 30 CO 0.08 -0.56 1.10 -1.25 0.04 0.00 0.00 177.00 176.41 2cuh s PRO 31 N 2.16 -0.34 0.23 0.56 0.04 -1.26 -4.92 135.00 131.47 2cuh s PRO 31 Ca 0.65 0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 2cuh s PRO 31 Cb -0.33 -1.67 0.36 0.00 0.04 0.00 0.00 34.50 32.89 2cuh s PRO 31 CO 0.28 -3.19 1.62 0.37 0.04 0.00 0.00 177.00 176.12 2cuh h GLN 32 N -2.22 0.05 -5.04 4.56 5.75 -1.94 -3.36 115.11 112.92 2cuh h GLN 32 Ca -0.51 -0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.35 2cuh h GLN 32 Cb 1.32 -0.01 -0.19 0.00 1.07 0.00 0.00 27.48 29.67 2cuh h GLN 32 CO 0.48 0.03 -0.58 1.21 -2.65 0.00 0.00 178.83 177.32 2cuh s ASN 33 N -5.21 5.52 0.16 -0.69 2.47 -1.26 -5.07 114.94 110.85 2cuh s ASN 33 Ca -0.14 -0.07 -0.31 0.00 0.42 0.00 0.00 52.86 52.77 2cuh s ASN 33 Cb 0.21 -1.99 -0.08 0.00 -1.45 0.00 0.00 41.25 37.94 2cuh s ASN 33 CO 0.75 0.02 1.33 -2.16 -3.72 0.00 0.00 177.10 173.32 2cuh s PRO 34 N 1.27 4.37 0.73 0.43 0.04 -1.26 -4.90 135.00 135.68 2cuh s PRO 34 Ca 0.06 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 2cuh s PRO 34 Cb -0.14 -3.23 0.17 0.00 0.04 0.00 0.00 34.50 31.33 2cuh s PRO 34 CO 0.05 -0.32 0.99 1.33 0.04 0.00 0.00 177.00 179.08 2cuh n VAL 35 N 3.24 0.00 -0.11 -0.36 0.24 -1.26 -5.06 118.33 115.03 2cuh n VAL 35 Ca 0.08 -0.76 -0.17 0.00 -2.04 0.00 0.00 64.34 61.45 2cuh n VAL 35 Cb 0.43 -1.60 -0.06 0.00 -1.47 0.00 0.00 33.84 31.14 2cuh n VAL 35 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2cuh n ASP 36 N -3.61 1.92 -3.80 -1.34 2.03 -1.19 -3.95 116.55 106.61 2cuh n ASP 36 Ca 0.13 0.39 -0.13 0.00 0.52 0.00 0.00 54.79 55.70 2cuh n ASP 36 Cb 0.44 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 39.88 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2cuh s THR 37 N -2.61 -0.03 -0.07 5.18 -4.23 -1.25 0.58 115.64 113.22 2cuh s THR 37 Ca -0.30 0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.13 2cuh s THR 37 Cb 0.08 -0.14 -0.05 0.00 1.34 0.00 0.00 72.50 73.73 2cuh s THR 37 CO 0.44 0.04 0.46 -0.31 -0.54 0.00 0.00 174.62 174.71 2cuh s TYR 38 N 0.56 3.60 -0.53 3.99 2.02 0.88 -0.90 117.35 126.98 2cuh s TYR 38 Ca -0.04 0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 57.44 2cuh s TYR 38 Cb -0.06 -2.47 0.11 0.00 -0.40 0.00 0.00 41.96 39.14 2cuh s TYR 38 CO -0.02 0.34 0.53 0.34 -1.57 0.00 0.00 175.55 175.17 2cuh s ASP 39 N -0.03 6.18 -0.12 2.29 2.15 -0.01 -2.88 116.67 124.25 2cuh s ASP 39 Ca 0.25 -1.54 -0.06 0.00 0.43 0.00 0.00 52.55 51.64 2cuh s ASP 39 Cb -0.16 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2cuh s ASP 39 CO 0.12 -0.87 0.09 -0.63 -0.17 0.00 0.00 175.17 173.71 2cuh s ILE 40 N 1.93 5.10 -0.14 4.11 1.09 -0.99 0.00 121.20 132.30 2cuh s ILE 40 Ca 0.06 0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 59.64 2cuh s ILE 40 Cb -0.27 -3.22 0.05 0.00 -1.06 0.00 0.00 42.46 37.96 2cuh s ILE 40 CO 0.05 0.58 0.05 -1.58 -0.10 0.00 0.00 174.94 173.95 2cuh s GLN 41 N -0.71 0.33 -0.20 2.79 2.00 0.68 -2.89 119.66 121.66 2cuh s GLN 41 Ca 0.13 -0.08 -0.10 0.00 -2.00 0.00 0.00 55.36 53.31 2cuh s GLN 41 Cb -0.12 -1.55 -0.05 0.00 0.80 0.00 0.00 33.01 32.09 2cuh s GLN 41 CO 0.03 -0.54 0.13 0.08 -0.50 0.00 0.00 175.29 174.48 2cuh s VAL 42 N 2.02 5.31 0.05 1.34 1.01 -0.88 -0.97 120.40 128.29 2cuh s VAL 42 Ca 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2cuh s VAL 42 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2cuh s VAL 42 CO -0.07 0.43 0.02 0.42 0.00 0.00 0.00 175.10 175.90 2cuh s THR 43 N 0.49 0.18 0.18 3.92 -4.23 -0.22 -1.78 115.64 114.18 2cuh s THR 43 Ca 0.07 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 58.94 2cuh s THR 43 Cb -0.12 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.56 2cuh s THR 43 CO -0.01 -0.81 0.51 0.00 -0.54 0.00 0.00 174.62 173.77 2cuh s ALA 44 N -3.31 -1.00 -1.12 3.99 0.00 -1.26 -1.35 121.76 117.71 2cuh s ALA 44 Ca 0.01 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 2cuh s ALA 44 Cb 0.03 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 23.90 2cuh s ALA 44 CO -0.08 -0.77 1.94 -1.25 0.00 0.00 0.00 175.76 175.60 2cuh s PRO 45 N -3.85 2.51 0.00 0.00 0.04 -1.26 -3.09 135.00 129.35 2cuh s PRO 45 Ca 0.07 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.15 2cuh s PRO 45 Cb -0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2cuh s PRO 45 CO -0.06 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 173.56 2cuh n GLY 46 N 6.06 1.93 3.77 0.56 0.00 -1.26 -5.09 105.19 111.15 2cuh n GLY 46 Ca 0.44 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.68 2.61 0.50 4.61 0.00 -1.18 -5.00 121.76 122.62 2cuh s ALA 47 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 2cuh s ALA 47 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 2cuh s ALA 47 CO 0.00 -0.97 1.15 -1.25 0.00 0.00 0.00 175.76 174.69 2cuh s PRO 48 N -3.55 3.54 0.43 0.00 0.04 -1.26 -4.31 135.00 129.89 2cuh s PRO 48 Ca 0.71 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 2cuh s PRO 48 Cb -0.23 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 2cuh s PRO 48 CO 0.32 -0.71 1.18 -1.25 0.04 0.00 0.00 177.00 176.58 2cuh s PRO 49 N -3.01 3.90 -0.07 0.56 0.04 -1.26 -4.77 135.00 130.40 2cuh s PRO 49 Ca 0.69 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.59 2cuh s PRO 49 Cb -0.26 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.74 2cuh s PRO 49 CO 0.31 -0.45 -0.12 -1.17 0.04 0.00 0.00 177.00 175.60 2cuh s LEU 50 N -2.74 1.66 -0.19 -3.56 2.96 -0.73 -5.02 118.68 111.05 2cuh s LEU 50 Ca 0.60 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2cuh s LEU 50 Cb -0.30 -0.84 0.04 0.00 0.50 0.00 0.00 46.19 45.59 2cuh s LEU 50 CO 0.38 0.04 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.74 2cuh s GLN 51 N 0.64 2.29 0.05 1.98 2.00 -1.26 -2.07 119.66 123.29 2cuh s GLN 51 Ca -0.14 -0.83 0.01 0.00 -2.00 0.00 0.00 55.36 52.39 2cuh s GLN 51 Cb -0.16 -2.43 -0.03 0.00 0.80 0.00 0.00 33.01 31.19 2cuh s GLN 51 CO 0.04 -0.36 -0.05 0.00 -0.50 0.00 0.00 175.29 174.41 2cuh s ALA 52 N 1.37 0.57 0.19 1.58 0.00 -1.14 -5.08 121.76 119.25 2cuh s ALA 52 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2cuh s ALA 52 Cb -0.15 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2cuh s ALA 52 CO -0.09 -0.19 -0.06 -2.00 0.00 0.00 0.00 175.76 173.42 2cuh s GLU 53 N -2.69 1.22 -0.08 0.00 2.12 -1.26 -2.35 118.70 115.66 2cuh s GLU 53 Ca -0.02 -1.57 -0.17 0.00 0.36 0.00 0.00 54.97 53.57 2cuh s GLU 53 Cb -0.02 -0.68 0.04 0.00 0.26 0.00 0.00 34.13 33.73 2cuh s GLU 53 CO -0.04 0.00 0.41 -0.08 -0.54 0.00 0.00 175.26 175.01 2cuh s THR 54 N -3.33 0.03 0.50 -1.70 -1.32 -1.14 -4.96 115.64 103.71 2cuh s THR 54 Ca 0.23 -0.22 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 2cuh s THR 54 Cb 0.04 -0.66 -0.07 0.00 -1.51 0.00 0.00 72.50 70.30 2cuh s THR 54 CO 0.05 -0.12 1.15 -2.16 -2.21 0.00 0.00 174.62 171.33 2cuh s PRO 55 N -0.69 3.58 0.41 7.08 0.04 -1.26 -0.08 135.00 144.07 2cuh s PRO 55 Ca -0.08 1.71 0.19 0.00 0.04 0.00 0.00 61.00 62.86 2cuh s PRO 55 Cb -0.04 -2.23 1.04 0.00 0.04 0.00 0.00 34.50 33.32 2cuh s PRO 55 CO 0.04 -0.69 1.53 0.78 0.04 0.00 0.00 177.00 178.70 2cuh h GLY 56 N 1.67 0.00 -1.25 0.56 0.00 0.01 0.73 103.07 104.79 2cuh h GLY 56 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2cuh h GLY 56 CO 0.59 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.99 2cuh n SER 57 N -2.30 1.53 -4.03 0.19 3.41 -1.26 -4.75 113.62 106.42 2cuh n SER 57 Ca -0.01 -2.11 -0.24 0.00 -0.26 0.00 0.00 58.87 56.25 2cuh n SER 57 Cb 0.27 -0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.30 1.18 -0.24 7.33 0.00 0.25 -5.02 121.76 123.96 2cuh s ALA 58 Ca 0.07 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 51.73 2cuh s ALA 58 Cb 0.05 -0.50 0.47 0.00 0.00 0.00 0.00 23.12 23.14 2cuh s ALA 58 CO 0.02 0.14 1.37 1.33 0.00 0.00 0.00 175.76 178.62 2cuh n VAL 59 N 3.62 2.37 -3.64 0.00 0.24 -1.26 -4.93 118.33 114.72 2cuh n VAL 59 Ca -0.21 -2.70 -0.04 0.00 -2.04 0.00 0.00 64.34 59.34 2cuh n VAL 59 Cb 0.52 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.66 -0.41 -0.34 -1.34 -4.77 -1.26 -3.97 116.67 101.92 2cuh s ASP 60 Ca 0.41 0.70 -0.00 0.00 -3.30 0.00 0.00 52.55 50.36 2cuh s ASP 60 Cb 0.38 1.00 0.11 0.00 -1.09 0.00 0.00 42.92 43.31 2cuh s ASP 60 CO -0.00 -0.11 0.13 -0.47 0.70 0.00 0.00 175.17 175.41 2cuh s TYR 61 N 0.88 1.66 0.01 2.11 5.04 -1.13 -4.97 117.35 120.95 2cuh s TYR 61 Ca -0.04 -1.84 -0.30 0.00 -2.44 0.00 0.00 57.07 52.45 2cuh s TYR 61 Cb -0.04 -1.68 -0.06 0.00 0.35 0.00 0.00 41.96 40.53 2cuh s TYR 61 CO -0.12 -0.86 1.44 -1.25 -1.34 0.00 0.00 175.55 173.42 2cuh s PRO 62 N 1.36 4.27 -0.24 4.97 0.04 -1.26 -2.66 135.00 141.47 2cuh s PRO 62 Ca 0.12 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 62 Cb -0.19 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 2cuh s PRO 62 CO -0.19 -0.60 0.02 -0.51 0.04 0.00 0.00 177.00 175.76 2cuh s LEU 63 N 2.45 3.22 0.00 -3.56 1.43 -0.11 -4.97 118.68 117.15 2cuh s LEU 63 Ca 0.65 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 2cuh s LEU 63 Cb -0.33 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2cuh s LEU 63 CO 0.27 -0.02 0.57 0.00 0.23 0.00 0.00 176.35 177.40 2cuh n HIS 64 N 4.83 -1.33 -3.18 0.29 1.44 -1.26 -3.43 115.22 112.58 2cuh n HIS 64 Ca -0.17 -2.21 -0.14 0.00 -2.01 0.00 0.00 57.72 53.19 2cuh n HIS 64 Cb 0.51 -0.49 0.07 0.00 0.12 0.00 0.00 29.99 30.21 2cuh n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2cuh n ASP 65 N -2.05 -2.12 -4.26 4.39 8.00 -1.26 -5.01 116.55 114.23 2cuh n ASP 65 Ca 0.06 -0.51 -0.34 0.00 0.71 0.00 0.00 54.79 54.71 2cuh n ASP 65 Cb 0.61 -4.30 -0.15 0.00 -0.02 0.00 0.00 41.12 37.26 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cuh s LEU 66 N -5.60 2.64 0.23 0.64 1.43 -1.26 -5.09 118.68 111.68 2cuh s LEU 66 Ca 0.01 -0.46 -0.32 0.00 -1.03 0.00 0.00 54.13 52.34 2cuh s LEU 66 Cb -0.01 -1.64 -0.13 0.00 0.03 0.00 0.00 46.19 44.44 2cuh s LEU 66 CO 0.60 0.01 1.47 0.52 0.23 0.00 0.00 176.35 179.19 2cuh n VAL 67 N 4.56 0.74 -2.17 -1.59 0.31 -1.26 -4.96 118.33 113.97 2cuh n VAL 67 Ca -0.19 -0.19 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 2cuh n VAL 67 Cb 0.51 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 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 0.21 3.51 -1.15 7.52 2.01 -1.26 -4.07 118.68 125.44 2cuh s LEU 68 Ca 0.70 1.64 -0.00 0.00 0.01 0.00 0.00 54.13 56.48 2cuh s LEU 68 Cb -0.63 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.06 2cuh s LEU 68 CO 0.47 -0.87 0.96 1.41 1.01 0.00 0.00 176.35 179.33 2cuh n HIS 69 N -1.95 -2.12 -3.63 0.29 8.25 -1.22 -5.02 115.22 109.82 2cuh n HIS 69 Ca 0.07 0.90 -0.13 0.00 -0.26 0.00 0.00 57.72 58.31 2cuh n HIS 69 Cb 0.54 -4.95 -0.07 0.00 1.12 0.00 0.00 29.99 26.63 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 -3.34 0.00 0.11 1.59 2.01 -1.26 -5.05 115.64 109.70 2cuh s THR 70 Ca 0.02 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 2cuh s THR 70 Cb -0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 2cuh s THR 70 CO 0.70 0.00 1.07 0.21 -0.69 0.00 0.00 174.62 175.91 2cuh s ASN 71 N 0.41 7.29 -0.06 3.53 3.84 -1.26 -3.75 114.94 124.94 2cuh s ASN 71 Ca 0.00 1.94 0.05 0.00 0.21 0.00 0.00 52.86 55.06 2cuh s ASN 71 Cb -0.05 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 2cuh s ASN 71 CO -0.01 -0.25 -0.21 -0.31 -2.79 0.00 0.00 177.10 173.53 2cuh s TYR 72 N 0.31 2.07 -0.24 0.43 2.02 -1.22 -4.60 117.35 116.13 2cuh s TYR 72 Ca 0.51 -0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 2cuh s TYR 72 Cb -0.27 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2cuh s TYR 72 CO 0.31 -0.22 0.06 0.99 -1.57 0.00 0.00 175.55 175.13 2cuh s THR 73 N 0.02 4.25 -0.23 -0.71 2.01 -0.46 -3.57 115.64 116.95 2cuh s THR 73 Ca -0.06 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2cuh s THR 73 Cb -0.13 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2cuh s THR 73 CO 0.03 0.35 -0.08 0.00 -0.69 0.00 0.00 174.62 174.24 2cuh s ALA 74 N 1.54 2.66 -0.28 7.40 0.00 -1.23 -1.05 121.76 130.79 2cuh s ALA 74 Ca 0.06 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 2cuh s ALA 74 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2cuh s ALA 74 CO 0.03 -0.63 0.09 0.99 0.00 0.00 0.00 175.76 176.24 2cuh s THR 75 N 1.36 4.20 -0.00 0.00 2.01 -0.14 -2.98 115.64 120.08 2cuh s THR 75 Ca 0.02 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2cuh s THR 75 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2cuh s THR 75 CO -0.06 0.16 0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 2cuh s VAL 76 N 1.56 4.59 0.26 3.82 1.01 0.12 -0.23 120.40 131.54 2cuh s VAL 76 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2cuh s VAL 76 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2cuh s VAL 76 CO 0.03 0.36 0.16 -0.13 0.00 0.00 0.00 175.10 175.52 2cuh s ARG 77 N -1.69 1.44 -0.09 2.72 0.52 0.10 -0.42 118.95 121.53 2cuh s ARG 77 Ca 0.22 -1.80 0.03 0.00 -0.52 0.00 0.00 55.73 53.66 2cuh s ARG 77 Cb -0.12 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.47 2cuh s ARG 77 CO 0.13 -0.44 -0.16 0.20 0.02 0.00 0.00 175.30 175.05 2cuh s GLY 78 N -3.28 1.01 -0.59 -3.53 0.00 -1.26 -0.83 107.32 98.84 2cuh s GLY 78 Ca 0.38 -0.65 -0.19 0.00 0.00 0.00 0.00 44.72 44.26 2cuh s GLY 78 CO 0.17 0.04 0.70 1.08 0.00 0.00 0.00 173.10 175.09 2cuh s LEU 79 N 0.69 5.34 -0.42 0.66 2.01 -0.07 -0.83 118.68 126.05 2cuh s LEU 79 Ca -0.13 -1.39 0.04 0.00 0.01 0.00 0.00 54.13 52.66 2cuh s LEU 79 Cb -0.16 -2.32 0.11 0.00 0.01 0.00 0.00 46.19 43.84 2cuh s LEU 79 CO 0.03 -1.11 0.15 -0.13 1.01 0.00 0.00 176.35 176.31 2cuh s ARG 80 N 2.71 1.72 3.49 1.70 1.81 -1.15 -3.16 118.95 126.07 2cuh s ARG 80 Ca 0.12 -2.21 0.00 0.00 -1.72 0.00 0.00 55.73 51.92 2cuh s ARG 80 Cb -0.24 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 30.99 2cuh s ARG 80 CO 0.07 -1.02 0.00 0.41 -0.68 0.00 0.00 175.30 174.08 2cuh n GLY 81 N 3.75 0.59 0.00 -3.53 0.00 -1.26 -2.66 105.19 102.08 2cuh n GLY 81 Ca 0.04 -0.79 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 0.48 -4.72 1.61 -0.04 -1.26 -4.74 135.00 126.34 2cuh n PRO 82 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2cuh n PRO 82 Cb 0.00 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 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 3.94 0.24 3.54 0.01 -1.09 -5.17 114.94 114.60 2cuh s ASN 83 Ca 0.15 -1.65 0.06 0.00 -0.71 0.00 0.00 52.86 50.71 2cuh s ASN 83 Cb 0.07 0.49 -0.05 0.00 0.41 0.00 0.00 41.25 42.17 2cuh s ASN 83 CO 0.11 -0.85 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.01 2cuh s LEU 84 N -3.84 2.47 0.56 0.60 1.43 -1.26 -2.91 118.68 115.73 2cuh s LEU 84 Ca 0.09 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 2cuh s LEU 84 Cb 0.02 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.72 2cuh s LEU 84 CO 0.05 -0.31 0.77 0.42 0.23 0.00 0.00 176.35 177.51 2cuh s THR 85 N -3.06 2.36 0.04 5.49 -4.23 -0.01 -4.89 115.64 111.34 2cuh s THR 85 Ca 0.26 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 2cuh s THR 85 Cb 0.02 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.37 2cuh s THR 85 CO 0.09 0.00 1.45 -0.94 -0.54 0.00 0.00 174.62 174.69 2cuh s SER 86 N -4.59 6.79 0.37 3.99 1.04 -1.26 -4.49 113.70 115.55 2cuh s SER 86 Ca 0.61 2.23 -0.26 0.00 0.48 0.00 0.00 55.95 59.01 2cuh s SER 86 Cb -0.07 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 2cuh s SER 86 CO 0.38 -0.74 1.20 -2.16 0.98 0.00 0.00 173.24 172.90 2cuh s PRO 87 N 2.20 4.17 -0.11 4.02 0.04 -1.26 -4.38 135.00 139.68 2cuh s PRO 87 Ca 0.66 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.63 2cuh s PRO 87 Cb -0.34 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.42 2cuh s PRO 87 CO 0.28 -0.25 -0.00 0.00 0.04 0.00 0.00 177.00 177.07 2cuh s ALA 88 N -1.31 0.87 0.12 8.56 0.00 0.44 -4.97 121.76 125.47 2cuh s ALA 88 Ca 0.54 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.24 2cuh s ALA 88 Cb -0.33 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2cuh s ALA 88 CO 0.43 -0.64 -0.18 0.45 0.00 0.00 0.00 175.76 175.81 2cuh s SER 89 N 1.90 2.44 0.06 0.00 0.15 -1.26 -0.70 113.70 116.29 2cuh s SER 89 Ca 0.03 -0.76 -0.04 0.00 0.70 0.00 0.00 55.95 55.89 2cuh s SER 89 Cb -0.14 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2cuh s SER 89 CO -0.06 -0.01 0.06 -0.51 1.20 0.00 0.00 173.24 173.91 2cuh s ILE 90 N -1.61 0.17 -0.21 6.45 2.07 -1.16 -5.01 121.20 121.90 2cuh s ILE 90 Ca 0.09 -1.43 -0.07 0.00 -1.41 0.00 0.00 60.65 57.83 2cuh s ILE 90 Cb -0.08 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.22 2cuh s ILE 90 CO 0.05 -0.79 0.06 0.42 -1.91 0.00 0.00 174.94 172.77 2cuh s THR 91 N -3.45 4.53 -0.06 4.00 -4.23 -1.26 -3.55 115.64 111.62 2cuh s THR 91 Ca 0.02 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 2cuh s THR 91 Cb 0.04 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.84 2cuh s THR 91 CO -0.08 0.40 0.12 0.72 -0.54 0.00 0.00 174.62 175.24 2cuh s PHE 92 N 0.94 -0.11 -0.06 3.99 -0.12 -1.23 -4.89 117.98 116.50 2cuh s PHE 92 Ca 0.04 0.40 -0.18 0.00 -0.05 0.00 0.00 56.93 57.14 2cuh s PHE 92 Cb -0.14 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 2cuh s PHE 92 CO 0.03 -0.16 0.49 0.99 -0.05 0.00 0.00 175.22 176.52 2cuh s THR 93 N 1.27 5.07 0.48 -4.49 2.01 -1.26 -3.37 115.64 115.34 2cuh s THR 93 Ca -0.08 1.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 2cuh s THR 93 Cb -0.12 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2cuh s THR 93 CO -0.05 0.41 0.93 0.42 -0.69 0.00 0.00 174.62 175.64 2cuh s THR 94 N -0.01 4.57 0.00 -0.82 -4.23 -1.25 -4.67 115.64 109.23 2cuh s THR 94 Ca 0.27 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 2cuh s THR 94 Cb -0.16 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2cuh s THR 94 CO 0.13 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 2cuh n GLY 95 N -1.39 1.03 3.79 3.99 0.00 -1.26 -3.41 105.19 107.94 2cuh n GLY 95 Ca 0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.74 -4.63 0.99 7.94 -1.26 -4.89 117.00 112.42 2cuh n LEU 96 Ca 0.00 -0.94 -0.33 0.00 -1.11 0.00 0.00 56.01 53.63 2cuh n LEU 96 Cb 0.00 -2.43 -0.10 0.00 0.53 0.00 0.00 43.42 41.42 2cuh n LEU 96 CO 0.00 0.43 -0.35 -1.83 -1.11 0.00 0.00 177.39 174.52 2cuh s GLU 97 N -6.18 2.75 -0.22 1.96 4.04 -1.26 -4.99 118.70 114.80 2cuh s GLU 97 Ca 0.11 -0.58 -0.21 0.00 0.04 0.00 0.00 54.97 54.34 2cuh s GLU 97 Cb -0.04 -2.62 0.06 0.00 0.02 0.00 0.00 34.13 31.54 2cuh s GLU 97 CO 0.85 0.65 0.59 0.00 -1.84 0.00 0.00 175.26 175.51 2cuh s ALA 98 N -0.93 -1.46 0.32 -0.84 0.00 -1.26 -4.98 121.76 112.61 2cuh s ALA 98 Ca 0.15 1.67 0.11 0.00 0.00 0.00 0.00 51.96 53.89 2cuh s ALA 98 Cb -0.11 -0.97 0.52 0.00 0.00 0.00 0.00 23.12 22.56 2cuh s ALA 98 CO 0.05 -0.28 1.71 -1.00 0.00 0.00 0.00 175.76 176.24 2cuh h PRO 99 N 5.21 0.03 0.00 0.00 0.13 -2.06 -3.40 132.00 131.91 2cuh h PRO 99 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2cuh h PRO 99 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cuh h PRO 99 CO 0.13 0.51 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 2cuh n ARG 100 N -3.96 0.00 -3.64 0.86 1.74 -1.26 -5.11 116.66 105.29 2cuh n ARG 100 Ca -0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 2cuh n ARG 100 Cb 0.51 -0.19 -0.07 0.00 -1.02 0.00 0.00 32.46 31.69 2cuh n ARG 100 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2cuh s ASP 101 N -2.45 -0.46 -0.14 0.55 -4.77 -1.26 -5.02 116.67 103.12 2cuh s ASP 101 Ca 0.00 0.82 -0.11 0.00 -3.30 0.00 0.00 52.55 49.96 2cuh s ASP 101 Cb 0.00 0.96 -0.06 0.00 -1.09 0.00 0.00 42.92 42.73 2cuh s ASP 101 CO 0.00 -0.14 -0.25 -0.11 0.70 0.00 0.00 175.17 175.38 2cuh n LEU 102 N 2.73 1.52 -0.04 2.11 0.00 -1.26 -4.90 117.00 117.16 2cuh n LEU 102 Ca -0.15 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 56.05 2cuh n LEU 102 Cb 0.57 -0.59 -0.03 0.00 0.00 0.00 0.00 43.42 43.36 2cuh n LEU 102 CO 0.02 -0.00 -0.76 1.21 0.00 0.00 0.00 177.39 177.85 2cuh n GLU 103 N -4.02 0.19 -2.41 1.96 2.13 -1.26 -4.94 120.64 112.30 2cuh n GLU 103 Ca -0.24 0.05 -0.42 0.00 0.66 0.00 0.00 57.16 57.22 2cuh n GLU 103 Cb 0.57 -1.07 -0.03 0.00 0.27 0.00 0.00 31.44 31.19 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cuh s ALA 104 N -2.16 2.84 -0.47 4.31 0.00 -1.26 -4.97 121.76 120.05 2cuh s ALA 104 Ca -0.11 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2cuh s ALA 104 Cb 0.03 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 19.09 2cuh s ALA 104 CO 0.17 -2.88 0.77 0.21 0.00 0.00 0.00 175.76 174.03 2cuh s LYS 105 N 5.42 3.35 0.08 0.00 2.20 -1.26 -4.78 119.74 124.76 2cuh s LYS 105 Ca 0.52 -0.23 -0.35 0.00 -0.36 0.00 0.00 55.97 55.55 2cuh s LYS 105 Cb -0.11 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.11 2cuh s LYS 105 CO 0.25 -1.16 1.61 -0.85 -0.36 0.00 0.00 175.35 174.84 2cuh n GLU 106 N 6.70 1.95 -4.64 4.03 0.28 -1.26 -4.98 120.64 122.72 2cuh n GLU 106 Ca 0.01 0.71 -0.25 0.00 -0.16 0.00 0.00 57.16 57.46 2cuh n GLU 106 Cb 0.48 -2.47 -0.14 0.00 1.43 0.00 0.00 31.44 30.74 2cuh n GLU 106 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2cuh s VAL 107 N 1.57 1.66 -0.87 3.84 -7.23 -1.26 -5.09 120.40 113.02 2cuh s VAL 107 Ca 0.83 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.79 2cuh s VAL 107 Cb -0.74 -1.45 0.21 0.00 0.56 0.00 0.00 36.38 34.97 2cuh s VAL 107 CO 0.43 0.20 0.75 -0.89 -0.31 0.00 0.00 175.10 175.29 2cuh s THR 108 N -0.80 4.30 0.65 5.32 2.01 -1.26 -5.08 115.64 120.78 2cuh s THR 108 Ca 0.07 -3.79 -0.15 0.00 0.31 0.00 0.00 61.69 58.12 2cuh s THR 108 Cb -0.09 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2cuh s THR 108 CO 0.02 -1.07 1.11 -2.16 -0.69 0.00 0.00 174.62 171.83 2cuh s PRO 109 N -1.24 2.86 0.32 4.92 0.04 -1.26 -5.06 135.00 135.58 2cuh s PRO 109 Ca 0.27 1.42 0.08 0.00 0.04 0.00 0.00 61.00 62.81 2cuh s PRO 109 Cb -0.08 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2cuh s PRO 109 CO -0.12 -1.20 0.11 -1.54 0.04 0.00 0.00 177.00 174.29 2cuh s SER 110 N -2.49 4.67 -0.09 6.66 1.04 -1.26 -5.13 113.70 117.09 2cuh s SER 110 Ca 0.68 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2cuh s SER 110 Cb -0.21 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.16 2cuh s SER 110 CO 0.40 -0.22 -0.08 -0.83 0.98 0.00 0.00 173.24 173.49 2cuh s GLY 111 N -3.80 0.76 0.76 7.32 0.00 -1.26 -5.14 107.32 105.96 2cuh s GLY 111 Ca 0.36 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 2cuh s GLY 111 CO 0.22 0.58 1.09 2.56 0.00 0.00 0.00 173.10 177.55 2cuh s PRO 112 N 1.33 2.31 -0.21 2.90 0.04 -1.26 -5.08 135.00 135.03 2cuh s PRO 112 Ca -0.03 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 2cuh s PRO 112 Cb -0.14 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.56 2cuh s PRO 112 CO -0.04 -1.60 0.54 -1.54 0.04 0.00 0.00 177.00 174.40 2cuh s SER 113 N -3.31 -0.63 0.12 6.66 1.04 -1.26 -5.06 113.70 111.25 2cuh s SER 113 Ca 0.62 1.13 -0.23 0.00 0.48 0.00 0.00 55.95 57.95 2cuh s SER 113 Cb -0.17 1.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.96 2cuh s SER 113 CO 0.54 -0.20 1.27 -1.54 0.98 0.00 0.00 173.24 174.30 2cuh n SER 114 N 3.53 -0.78 0.00 7.02 3.41 -1.26 -5.37 113.62 120.17 2cuh n SER 114 Ca -0.18 1.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.97 2cuh n SER 114 Cb 0.57 -0.24 0.54 0.00 -0.26 0.00 0.00 64.21 64.81 2cuh n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49