#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 -0.46 -0.71 1.61 0.15 -1.26 -5.11 113.70 107.92 2cuh s SER 2 Ca 0.00 0.62 -0.19 0.00 0.70 0.00 0.00 55.95 57.08 2cuh s SER 2 Cb 0.00 0.65 0.12 0.00 -1.71 0.00 0.00 66.02 65.08 2cuh s SER 2 CO 0.00 -0.40 0.85 -0.44 1.20 0.00 0.00 173.24 174.45 2cuh s SER 3 N -0.71 6.35 0.00 5.45 0.01 -1.26 -4.51 113.70 119.03 2cuh s SER 3 Ca -0.08 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2cuh s SER 3 Cb -0.03 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2cuh s SER 3 CO 0.05 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.21 2cuh n GLY 4 N 5.19 -1.66 2.77 3.44 0.00 -1.26 -5.03 105.19 108.64 2cuh n GLY 4 Ca 0.02 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -2.06 0.09 1.61 2.88 -1.26 -4.95 113.62 109.94 2cuh n SER 5 Ca 0.00 -0.45 -0.13 0.00 -1.33 0.00 0.00 58.87 56.96 2cuh n SER 5 Cb 0.00 -3.87 -0.08 0.00 -0.75 0.00 0.00 64.21 59.52 2cuh n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cuh h SER 6 N -1.38 -0.15 -5.03 -3.46 0.87 -1.98 -3.46 113.55 98.96 2cuh h SER 6 Ca -0.43 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.01 2cuh h SER 6 Cb 1.25 0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 63.09 2cuh h SER 6 CO 0.36 -0.03 0.00 -0.83 -0.53 0.00 0.00 176.83 175.81 2cuh s GLY 7 N -2.32 -0.38 0.00 5.77 0.00 -1.26 -5.18 107.32 103.95 2cuh s GLY 7 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2cuh s GLY 7 CO 0.65 0.11 0.00 -1.55 0.00 0.00 0.00 173.10 172.31 2cuh n PRO 8 N 0.23 -0.24 0.00 2.90 -0.04 -1.26 -4.98 135.00 131.60 2cuh n PRO 8 Ca -0.18 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.38 2cuh n PRO 8 Cb 0.61 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.85 1.48 -0.56 3.54 8.00 -1.26 -4.98 116.55 120.92 2cuh n ASP 9 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2cuh n ASP 9 Cb 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cuh n GLY 10 N 1.38 2.56 3.73 0.44 0.00 -1.26 -4.81 105.19 107.22 2cuh n GLY 10 Ca 0.06 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 1.42 4.37 0.39 1.61 0.04 -1.26 -4.54 135.00 137.03 2cuh s PRO 11 Ca 0.00 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 11 Cb 0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2cuh s PRO 11 CO 0.00 -0.31 0.15 0.95 0.04 0.00 0.00 177.00 177.83 2cuh s THR 12 N 0.50 0.50 -1.28 1.26 -4.23 -1.24 -4.53 115.64 106.62 2cuh s THR 12 Ca 0.59 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 2cuh s THR 12 Cb -0.36 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.12 2cuh s THR 12 CO 0.35 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.74 2cuh n GLN 13 N -0.85 -3.17 -1.71 3.99 1.13 -1.26 -2.14 117.38 113.37 2cuh n GLN 13 Ca -0.04 0.63 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 2cuh n GLN 13 Cb 0.65 -5.33 -0.03 0.00 0.11 0.00 0.00 30.24 25.64 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 -6.18 4.42 0.22 1.08 2.96 -1.26 -4.68 118.68 115.23 2cuh s LEU 14 Ca 0.21 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.81 2cuh s LEU 14 Cb -0.11 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2cuh s LEU 14 CO 0.26 -1.03 0.03 -0.60 -1.32 0.00 0.00 176.35 173.70 2cuh s ARG 15 N 3.86 1.28 -0.20 1.98 3.52 -1.04 -4.99 118.95 123.37 2cuh s ARG 15 Ca 0.85 -1.65 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 2cuh s ARG 15 Cb -0.43 -0.39 0.04 0.00 -1.56 0.00 0.00 34.95 32.62 2cuh s ARG 15 CO 0.39 -0.17 -0.09 0.00 -0.81 0.00 0.00 175.30 174.62 2cuh s ALA 16 N -3.61 1.91 0.68 6.12 0.00 -1.26 -3.55 121.76 122.06 2cuh s ALA 16 Ca 0.30 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 2cuh s ALA 16 Cb 0.07 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.98 2cuh s ALA 16 CO 0.09 -0.83 0.97 -0.51 0.00 0.00 0.00 175.76 175.47 2cuh s LEU 17 N 1.43 2.92 -1.09 0.00 1.43 -1.26 -4.99 118.68 117.12 2cuh s LEU 17 Ca -0.01 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 2cuh s LEU 17 Cb -0.16 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.15 2cuh s LEU 17 CO -0.08 -1.53 1.43 0.20 0.23 0.00 0.00 176.35 176.60 2cuh s ASN 18 N -4.51 6.70 0.58 2.29 -0.87 -1.26 -4.96 114.94 112.92 2cuh s ASN 18 Ca 0.60 -2.08 0.04 0.00 -1.57 0.00 0.00 52.86 49.84 2cuh s ASN 18 Cb -0.10 -2.50 0.07 0.00 -0.02 0.00 0.00 41.25 38.69 2cuh s ASN 18 CO 0.43 -1.19 0.80 -1.48 -2.57 0.00 0.00 177.10 173.09 2cuh s LEU 19 N 3.67 3.22 0.23 0.60 -0.00 -1.26 -5.02 118.68 120.12 2cuh s LEU 19 Ca 0.44 -0.37 -0.16 0.00 -0.00 0.00 0.00 54.13 54.04 2cuh s LEU 19 Cb -0.01 -2.30 -0.11 0.00 -0.00 0.00 0.00 46.19 43.77 2cuh s LEU 19 CO -0.04 -1.32 0.15 1.07 -0.00 0.00 0.00 176.35 176.21 2cuh n THR 20 N -2.37 0.72 -0.57 5.48 5.66 -1.26 -4.71 114.28 117.23 2cuh n THR 20 Ca 0.12 -0.34 -0.04 0.00 -3.05 0.00 0.00 64.05 60.74 2cuh n THR 20 Cb 0.60 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.39 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 0.83 1.17 0.00 1.09 0.28 -1.26 -3.59 120.64 119.16 2cuh n GLU 21 Ca 0.09 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 2cuh n GLU 21 Cb 0.24 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.98 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cuh n GLY 22 N 1.25 0.00 2.76 -1.84 0.00 -1.26 -4.92 105.19 101.18 2cuh n GLY 22 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.14 0.20 0.04 1.61 -0.12 -1.24 -4.72 117.98 112.62 2cuh s PHE 23 Ca 0.00 0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 56.91 2cuh s PHE 23 Cb 0.00 -0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 2cuh s PHE 23 CO 0.00 -0.16 0.30 0.00 -0.05 0.00 0.00 175.22 175.32 2cuh s ALA 24 N 1.49 3.83 0.22 1.99 0.00 -1.24 -4.42 121.76 123.63 2cuh s ALA 24 Ca -0.04 -0.55 0.11 0.00 0.00 0.00 0.00 51.96 51.48 2cuh s ALA 24 Cb -0.13 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 2cuh s ALA 24 CO -0.03 0.65 -0.21 0.14 0.00 0.00 0.00 175.76 176.31 2cuh s VAL 25 N -1.38 2.30 0.04 0.00 -7.23 -1.26 -2.47 120.40 110.40 2cuh s VAL 25 Ca 0.31 -2.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.21 2cuh s VAL 25 Cb -0.13 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 2cuh s VAL 25 CO 0.18 -0.28 0.36 -0.76 -0.31 0.00 0.00 175.10 174.30 2cuh s LEU 26 N -3.02 4.38 -0.13 1.32 1.43 -1.21 -4.77 118.68 116.67 2cuh s LEU 26 Ca 0.24 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2cuh s LEU 26 Cb -0.06 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.38 2cuh s LEU 26 CO 0.11 0.22 -0.09 -1.00 0.23 0.00 0.00 176.35 175.83 2cuh s HIS 27 N -1.31 1.70 0.11 0.29 3.76 -1.23 -3.46 115.29 115.15 2cuh s HIS 27 Ca 0.30 -0.94 0.06 0.00 -0.15 0.00 0.00 55.06 54.33 2cuh s HIS 27 Cb -0.14 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2cuh s HIS 27 CO 0.16 -0.57 -0.15 1.67 -0.85 0.00 0.00 174.74 175.00 2cuh s TRP 28 N 1.64 1.40 -0.17 1.40 -2.14 -1.20 -2.48 118.94 117.38 2cuh s TRP 28 Ca 0.04 -0.52 -0.16 0.00 2.66 0.00 0.00 56.10 58.12 2cuh s TRP 28 Cb -0.13 -0.75 -0.04 0.00 -3.10 0.00 0.00 33.47 29.45 2cuh s TRP 28 CO -0.09 0.13 0.39 0.21 -2.66 0.00 0.00 176.95 174.94 2cuh s LYS 29 N -2.43 4.24 -0.21 3.25 2.20 -0.91 -4.82 119.74 121.06 2cuh s LYS 29 Ca 0.07 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2cuh s LYS 29 Cb -0.06 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2cuh s LYS 29 CO 0.03 0.08 1.60 -1.25 -0.36 0.00 0.00 175.35 175.44 2cuh s PRO 30 N 0.94 3.85 0.53 4.03 0.04 -1.26 -3.69 135.00 139.44 2cuh s PRO 30 Ca 0.20 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 2cuh s PRO 30 Cb -0.14 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.32 2cuh s PRO 30 CO 0.07 -1.23 1.14 -1.25 0.04 0.00 0.00 177.00 175.77 2cuh s PRO 31 N 4.56 3.44 0.22 0.56 0.04 -1.26 -4.89 135.00 137.67 2cuh s PRO 31 Ca 0.70 1.64 0.01 0.00 0.04 0.00 0.00 61.00 63.40 2cuh s PRO 31 Cb -0.25 -2.08 0.54 0.00 0.04 0.00 0.00 34.50 32.75 2cuh s PRO 31 CO 0.28 -0.79 1.12 0.94 0.04 0.00 0.00 177.00 178.59 2cuh n GLN 32 N -1.14 -0.06 -2.90 4.56 7.27 -1.26 -3.58 117.38 120.28 2cuh n GLN 32 Ca 0.11 1.07 -0.43 0.00 0.07 0.00 0.00 57.00 57.81 2cuh n GLN 32 Cb 0.50 -1.70 -0.05 0.00 2.41 0.00 0.00 30.24 31.41 2cuh n GLN 32 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2cuh s ASN 33 N -5.00 6.45 -0.04 1.69 4.22 -1.26 -5.01 114.94 115.98 2cuh s ASN 33 Ca -0.09 -0.02 -0.30 0.00 -2.14 0.00 0.00 52.86 50.31 2cuh s ASN 33 Cb 0.21 -2.42 -0.05 0.00 1.28 0.00 0.00 41.25 40.27 2cuh s ASN 33 CO 0.56 -0.98 1.48 -2.16 -2.04 0.00 0.00 177.10 173.96 2cuh s PRO 34 N 3.51 4.23 0.60 3.55 0.04 -1.23 -4.96 135.00 140.74 2cuh s PRO 34 Ca 0.33 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.30 2cuh s PRO 34 Cb -0.11 -3.74 0.14 0.00 0.04 0.00 0.00 34.50 30.83 2cuh s PRO 34 CO 0.24 -0.70 0.82 1.33 0.04 0.00 0.00 177.00 178.73 2cuh n VAL 35 N 5.04 0.00 -0.10 -0.36 0.24 -1.26 -5.06 118.33 116.83 2cuh n VAL 35 Ca 0.15 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.68 2cuh n VAL 35 Cb 0.43 -1.67 -0.05 0.00 -1.47 0.00 0.00 33.84 31.08 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 -3.51 1.92 -3.89 -1.34 9.92 -1.04 -4.27 116.55 114.34 2cuh n ASP 36 Ca 0.10 0.39 -0.11 0.00 -0.53 0.00 0.00 54.79 54.64 2cuh n ASP 36 Cb 0.36 -0.80 -0.12 0.00 -0.64 0.00 0.00 41.12 39.92 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 -2.67 0.05 -0.19 -3.53 -4.23 -1.24 -0.01 115.64 103.81 2cuh s THR 37 Ca -0.29 -0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 2cuh s THR 37 Cb 0.07 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 2cuh s THR 37 CO 0.42 -0.22 0.11 -0.31 -0.54 0.00 0.00 174.62 174.07 2cuh s TYR 38 N -0.69 3.35 -0.35 3.99 2.02 0.71 -1.08 117.35 125.30 2cuh s TYR 38 Ca -0.08 0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.69 2cuh s TYR 38 Cb -0.05 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2cuh s TYR 38 CO 0.00 0.23 0.43 0.34 -1.57 0.00 0.00 175.55 174.99 2cuh s ASP 39 N 0.38 6.24 -0.17 2.29 2.15 -1.06 -2.90 116.67 123.60 2cuh s ASP 39 Ca 0.06 -0.15 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 2cuh s ASP 39 Cb -0.12 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2cuh s ASP 39 CO -0.01 -0.41 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.82 2cuh s ILE 40 N 2.19 2.71 -0.24 4.11 1.01 -0.38 -0.67 121.20 129.93 2cuh s ILE 40 Ca 0.15 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2cuh s ILE 40 Cb -0.16 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.20 2cuh s ILE 40 CO 0.12 0.50 -0.07 -1.58 0.00 0.00 0.00 174.94 173.91 2cuh s GLN 41 N 1.05 1.79 -0.18 2.79 0.74 -1.01 -2.17 119.66 122.67 2cuh s GLN 41 Ca -0.01 -1.05 -0.17 0.00 0.05 0.00 0.00 55.36 54.18 2cuh s GLN 41 Cb -0.15 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 2cuh s GLN 41 CO -0.03 -0.58 0.46 0.08 -0.55 0.00 0.00 175.29 174.67 2cuh s VAL 42 N 1.33 5.17 0.15 1.34 1.01 -0.79 -2.58 120.40 126.03 2cuh s VAL 42 Ca -0.06 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2cuh s VAL 42 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2cuh s VAL 42 CO -0.06 0.25 0.11 0.42 0.00 0.00 0.00 175.10 175.82 2cuh s THR 43 N 1.19 0.08 -0.08 3.92 -4.23 -0.67 -1.43 115.64 114.41 2cuh s THR 43 Ca 0.23 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 2cuh s THR 43 Cb -0.15 -2.12 0.10 0.00 1.34 0.00 0.00 72.50 71.67 2cuh s THR 43 CO 0.09 -0.34 0.83 0.00 -0.54 0.00 0.00 174.62 174.66 2cuh s ALA 44 N -4.06 -1.83 -1.15 3.99 0.00 -1.26 -0.66 121.76 116.78 2cuh s ALA 44 Ca 0.26 1.34 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 2cuh s ALA 44 Cb 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2cuh s ALA 44 CO 0.04 -0.41 1.94 -1.25 0.00 0.00 0.00 175.76 176.08 2cuh s PRO 45 N -1.54 2.48 0.00 0.00 0.04 -1.26 -2.01 135.00 132.71 2cuh s PRO 45 Ca -0.05 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.93 2cuh s PRO 45 Cb -0.00 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.32 2cuh s PRO 45 CO 0.03 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.53 2cuh n GLY 46 N 5.92 0.95 3.26 0.56 0.00 -1.26 -5.12 105.19 109.50 2cuh n GLY 46 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.65 1.64 0.53 4.61 0.00 -0.85 -5.14 121.76 120.90 2cuh s ALA 47 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 2cuh s ALA 47 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 2cuh s ALA 47 CO 0.00 0.24 1.14 -1.25 0.00 0.00 0.00 175.76 175.89 2cuh s PRO 48 N -2.22 3.44 0.55 0.00 0.04 -1.26 -4.25 135.00 131.30 2cuh s PRO 48 Ca 0.07 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 2cuh s PRO 48 Cb -0.08 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2cuh s PRO 48 CO 0.04 -0.79 1.13 -1.25 0.04 0.00 0.00 177.00 176.17 2cuh s PRO 49 N -3.17 3.31 -0.05 0.56 0.04 -1.26 -4.76 135.00 129.66 2cuh s PRO 49 Ca 0.71 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2cuh s PRO 49 Cb -0.25 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2cuh s PRO 49 CO 0.28 -0.88 -0.06 -1.17 0.04 0.00 0.00 177.00 175.21 2cuh s LEU 50 N -3.89 1.37 0.18 -3.56 2.96 -0.51 -5.01 118.68 110.21 2cuh s LEU 50 Ca 0.72 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2cuh s LEU 50 Cb -0.24 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 2cuh s LEU 50 CO 0.28 -0.04 0.41 0.00 -1.32 0.00 0.00 176.35 175.68 2cuh s GLN 51 N 0.92 3.60 -0.29 1.98 -2.07 -1.26 -1.89 119.66 120.66 2cuh s GLN 51 Ca -0.11 -0.13 -0.20 0.00 -1.82 0.00 0.00 55.36 53.10 2cuh s GLN 51 Cb -0.15 -2.81 0.13 0.00 -1.09 0.00 0.00 33.01 29.09 2cuh s GLN 51 CO 0.00 0.41 0.96 0.00 -1.32 0.00 0.00 175.29 175.34 2cuh s ALA 52 N -1.77 -2.10 0.03 2.60 0.00 -0.92 -4.98 121.76 114.61 2cuh s ALA 52 Ca 0.41 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.48 2cuh s ALA 52 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2cuh s ALA 52 CO 0.26 -0.31 -0.04 -2.00 0.00 0.00 0.00 175.76 173.68 2cuh s GLU 53 N 0.94 0.38 -0.05 0.00 2.12 -1.26 -1.25 118.70 119.57 2cuh s GLU 53 Ca -0.04 -0.72 -0.21 0.00 0.36 0.00 0.00 54.97 54.36 2cuh s GLU 53 Cb -0.04 0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.47 2cuh s GLU 53 CO -0.12 -0.05 0.46 -0.08 -0.54 0.00 0.00 175.26 174.94 2cuh s THR 54 N -1.83 0.03 0.49 -1.70 -1.32 -1.14 -4.98 115.64 105.18 2cuh s THR 54 Ca -0.12 -0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.91 2cuh s THR 54 Cb -0.07 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.10 2cuh s THR 54 CO -0.02 -0.13 1.15 -2.16 -2.21 0.00 0.00 174.62 171.25 2cuh s PRO 55 N -1.03 3.62 0.31 7.08 0.04 -1.26 -0.21 135.00 143.56 2cuh s PRO 55 Ca -0.11 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.72 2cuh s PRO 55 Cb -0.03 -2.27 0.87 0.00 0.04 0.00 0.00 34.50 33.11 2cuh s PRO 55 CO 0.06 -0.65 1.62 0.78 0.04 0.00 0.00 177.00 178.84 2cuh h GLY 56 N 1.75 1.57 -1.50 0.56 0.00 -0.62 0.29 103.07 105.13 2cuh h GLY 56 Ca -0.50 -0.03 0.49 0.00 0.00 0.00 0.00 47.33 47.30 2cuh h GLY 56 CO 0.59 -0.49 0.99 -1.26 0.00 0.00 0.00 176.54 176.38 2cuh n SER 57 N -5.27 0.16 -4.85 0.19 2.88 -1.26 -4.33 113.62 101.14 2cuh n SER 57 Ca 0.26 1.28 -0.32 0.00 -1.33 0.00 0.00 58.87 58.76 2cuh n SER 57 Cb 0.84 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cuh s ALA 58 N -5.13 3.15 -0.03 -1.46 0.00 0.10 -4.99 121.76 113.41 2cuh s ALA 58 Ca -0.07 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.06 2cuh s ALA 58 Cb 0.30 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.48 2cuh s ALA 58 CO 0.82 -0.06 0.94 1.33 0.00 0.00 0.00 175.76 178.80 2cuh n VAL 59 N -1.21 0.94 -3.57 0.00 0.24 -1.26 -4.94 118.33 108.53 2cuh n VAL 59 Ca 0.05 -1.02 -0.08 0.00 -2.04 0.00 0.00 64.34 61.25 2cuh n VAL 59 Cb 0.54 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.24 -0.29 -0.24 -1.34 -4.77 -1.26 -3.28 116.67 104.26 2cuh s ASP 60 Ca 0.07 0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 49.45 2cuh s ASP 60 Cb 0.06 0.27 0.08 0.00 -1.09 0.00 0.00 42.92 42.24 2cuh s ASP 60 CO 0.01 -0.37 0.10 -0.47 0.70 0.00 0.00 175.17 175.14 2cuh s TYR 61 N -1.95 0.51 -0.20 2.11 6.14 -1.23 -5.00 117.35 117.74 2cuh s TYR 61 Ca 0.04 -0.76 -0.29 0.00 0.64 0.00 0.00 57.07 56.70 2cuh s TYR 61 Cb -0.01 -0.92 -0.03 0.00 0.42 0.00 0.00 41.96 41.42 2cuh s TYR 61 CO -0.04 -0.69 1.60 -1.25 0.64 0.00 0.00 175.55 175.81 2cuh s PRO 62 N 2.03 3.86 -0.16 4.97 0.04 -1.26 -3.30 135.00 141.18 2cuh s PRO 62 Ca 0.05 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2cuh s PRO 62 Cb -0.16 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 2cuh s PRO 62 CO -0.22 -1.22 0.27 -0.51 0.04 0.00 0.00 177.00 175.36 2cuh s LEU 63 N 4.99 4.24 0.52 -3.56 1.43 -1.03 -4.99 118.68 120.28 2cuh s LEU 63 Ca 0.71 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2cuh s LEU 63 Cb -0.26 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2cuh s LEU 63 CO 0.28 0.12 0.17 -1.00 0.23 0.00 0.00 176.35 176.15 2cuh s HIS 64 N 0.41 1.81 -1.27 0.29 3.76 -1.26 -3.59 115.29 115.44 2cuh s HIS 64 Ca 0.15 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.14 2cuh s HIS 64 Cb -0.13 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.82 2cuh s HIS 64 CO 0.03 -0.05 1.02 -0.25 -0.85 0.00 0.00 174.74 174.64 2cuh n ASP 65 N -1.46 -3.23 -4.44 1.40 8.00 -1.26 -4.99 116.55 110.56 2cuh n ASP 65 Ca -0.11 -0.63 -0.34 0.00 0.71 0.00 0.00 54.79 54.43 2cuh n ASP 65 Cb 0.66 -4.94 -0.13 0.00 -0.02 0.00 0.00 41.12 36.69 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 -6.69 3.07 0.24 0.64 1.43 -1.26 -5.08 118.68 111.02 2cuh s LEU 66 Ca 0.19 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 2cuh s LEU 66 Cb -0.08 -1.73 -0.12 0.00 0.03 0.00 0.00 46.19 44.28 2cuh s LEU 66 CO 0.74 0.14 1.64 0.52 0.23 0.00 0.00 176.35 179.63 2cuh n VAL 67 N 3.69 0.44 -1.27 -1.59 0.31 -1.26 -4.98 118.33 113.66 2cuh n VAL 67 Ca -0.18 -0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2cuh n VAL 67 Cb 0.52 -1.90 0.21 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.47 1.27 -1.23 7.52 2.01 -1.26 -4.00 118.68 123.46 2cuh s LEU 68 Ca 0.71 0.69 -0.05 0.00 0.01 0.00 0.00 54.13 55.48 2cuh s LEU 68 Cb -0.53 -2.59 0.01 0.00 0.01 0.00 0.00 46.19 43.09 2cuh s LEU 68 CO 0.40 -3.61 0.10 1.41 1.01 0.00 0.00 176.35 175.66 2cuh n HIS 69 N -4.42 -1.05 -3.67 0.29 8.25 -1.26 -4.82 115.22 108.53 2cuh n HIS 69 Ca 0.12 0.42 -0.09 0.00 -0.26 0.00 0.00 57.72 57.90 2cuh n HIS 69 Cb 0.59 -2.30 -0.10 0.00 1.12 0.00 0.00 29.99 29.30 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 -4.08 -0.29 -0.57 1.59 2.01 -1.26 -5.01 115.64 108.04 2cuh s THR 70 Ca 0.08 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 2cuh s THR 70 Cb -0.04 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.78 2cuh s THR 70 CO 0.82 0.04 1.42 0.20 -0.69 0.00 0.00 174.62 176.42 2cuh s ASN 71 N 1.93 6.10 -0.22 3.53 -0.87 -1.26 -3.93 114.94 120.23 2cuh s ASN 71 Ca -0.07 0.26 -0.13 0.00 -1.57 0.00 0.00 52.86 51.36 2cuh s ASN 71 Cb -0.09 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.54 2cuh s ASN 71 CO -0.14 -1.73 0.26 -0.31 -2.57 0.00 0.00 177.10 172.60 2cuh s TYR 72 N 6.13 3.35 -0.27 2.20 2.02 -1.24 -4.64 117.35 124.91 2cuh s TYR 72 Ca 0.52 0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 57.47 2cuh s TYR 72 Cb -0.11 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.06 2cuh s TYR 72 CO 0.24 0.07 0.43 0.99 -1.57 0.00 0.00 175.55 175.71 2cuh s THR 73 N 1.06 5.13 0.07 -0.71 2.01 0.16 -4.02 115.64 119.33 2cuh s THR 73 Ca 0.13 0.66 0.05 0.00 0.31 0.00 0.00 61.69 62.83 2cuh s THR 73 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2cuh s THR 73 CO 0.05 0.12 -0.03 0.00 -0.69 0.00 0.00 174.62 174.07 2cuh s ALA 74 N 2.16 3.19 -0.19 7.40 0.00 -1.22 -1.68 121.76 131.42 2cuh s ALA 74 Ca 0.17 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2cuh s ALA 74 Cb -0.16 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.87 2cuh s ALA 74 CO 0.10 0.67 -0.00 0.99 0.00 0.00 0.00 175.76 177.51 2cuh s THR 75 N -1.21 0.84 -0.25 0.00 2.01 -1.06 -2.78 115.64 113.18 2cuh s THR 75 Ca 0.23 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 2cuh s THR 75 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2cuh s THR 75 CO 0.15 -0.08 0.14 -0.69 -0.69 0.00 0.00 174.62 173.44 2cuh s VAL 76 N 1.72 5.01 0.53 3.82 1.01 0.65 -2.40 120.40 130.74 2cuh s VAL 76 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2cuh s VAL 76 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2cuh s VAL 76 CO -0.07 0.31 0.23 -0.13 0.00 0.00 0.00 175.10 175.44 2cuh s ARG 77 N 1.45 2.23 -0.10 2.72 1.81 0.15 -0.62 118.95 126.59 2cuh s ARG 77 Ca 0.07 -2.19 0.01 0.00 -1.72 0.00 0.00 55.73 51.89 2cuh s ARG 77 Cb -0.15 -1.85 0.02 0.00 -0.45 0.00 0.00 34.95 32.52 2cuh s ARG 77 CO 0.07 -0.51 -0.10 0.20 -0.68 0.00 0.00 175.30 174.28 2cuh s GLY 78 N -4.11 0.85 -0.65 -3.53 0.00 -1.26 -2.56 107.32 96.06 2cuh s GLY 78 Ca 0.21 -0.53 -0.20 0.00 0.00 0.00 0.00 44.72 44.20 2cuh s GLY 78 CO 0.13 0.53 0.81 1.08 0.00 0.00 0.00 173.10 175.65 2cuh s LEU 79 N 1.31 5.14 -0.40 0.66 2.01 -0.24 -1.02 118.68 126.14 2cuh s LEU 79 Ca -0.02 -1.41 0.04 0.00 0.01 0.00 0.00 54.13 52.74 2cuh s LEU 79 Cb -0.14 -2.34 0.11 0.00 0.01 0.00 0.00 46.19 43.84 2cuh s LEU 79 CO -0.04 -1.18 0.13 -0.13 1.01 0.00 0.00 176.35 176.14 2cuh s ARG 80 N 2.97 1.59 3.60 1.70 0.52 -1.10 -2.49 118.95 125.75 2cuh s ARG 80 Ca 0.16 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 2cuh s ARG 80 Cb -0.20 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.14 2cuh s ARG 80 CO 0.05 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.77 2cuh n GLY 81 N 3.86 0.73 0.00 -3.53 0.00 -1.26 -2.53 105.19 102.46 2cuh n GLY 81 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.63 1.61 -0.04 -1.26 -4.74 135.00 126.43 2cuh n PRO 82 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2cuh n PRO 82 Cb 0.00 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 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 3.56 0.15 3.54 0.01 -1.05 -5.17 114.94 114.15 2cuh s ASN 83 Ca 0.15 -1.53 0.06 0.00 -0.71 0.00 0.00 52.86 50.84 2cuh s ASN 83 Cb 0.07 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.84 2cuh s ASN 83 CO 0.12 -0.71 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.10 2cuh s LEU 84 N -3.72 2.46 0.70 0.60 1.43 -1.26 -2.70 118.68 116.19 2cuh s LEU 84 Ca 0.22 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2cuh s LEU 84 Cb 0.05 -0.58 0.12 0.00 0.03 0.00 0.00 46.19 45.82 2cuh s LEU 84 CO 0.11 -0.16 0.97 0.42 0.23 0.00 0.00 176.35 177.92 2cuh s THR 85 N -2.47 2.17 0.10 5.49 -4.23 -0.19 -4.93 115.64 111.58 2cuh s THR 85 Ca 0.13 -0.61 -0.31 0.00 -1.18 0.00 0.00 61.69 59.72 2cuh s THR 85 Cb -0.03 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 2cuh s THR 85 CO 0.04 0.00 1.40 -0.44 -0.54 0.00 0.00 174.62 175.08 2cuh s SER 86 N -4.71 6.82 0.47 3.99 0.01 -1.26 -4.43 113.70 114.59 2cuh s SER 86 Ca 0.65 2.31 -0.22 0.00 1.31 0.00 0.00 55.95 60.01 2cuh s SER 86 Cb -0.06 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2cuh s SER 86 CO 0.44 -0.67 1.16 -2.16 0.41 0.00 0.00 173.24 172.42 2cuh s PRO 87 N 1.29 3.69 -0.13 12.44 0.04 -1.26 -4.34 135.00 146.72 2cuh s PRO 87 Ca 0.65 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 2cuh s PRO 87 Cb -0.36 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 31.88 2cuh s PRO 87 CO 0.30 -0.61 0.01 0.00 0.04 0.00 0.00 177.00 176.75 2cuh s ALA 88 N -1.58 0.85 0.38 8.56 0.00 0.21 -4.96 121.76 125.21 2cuh s ALA 88 Ca 0.65 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.30 2cuh s ALA 88 Cb -0.28 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 2cuh s ALA 88 CO 0.33 -0.78 0.06 0.45 0.00 0.00 0.00 175.76 175.83 2cuh s SER 89 N 1.92 4.15 0.12 0.00 0.15 -1.26 -0.26 113.70 118.53 2cuh s SER 89 Ca 0.02 -1.13 -0.23 0.00 0.70 0.00 0.00 55.95 55.31 2cuh s SER 89 Cb -0.14 -0.47 0.06 0.00 -1.71 0.00 0.00 66.02 63.76 2cuh s SER 89 CO -0.07 -0.39 0.58 -0.51 1.20 0.00 0.00 173.24 174.05 2cuh s ILE 90 N -2.60 0.01 -0.31 6.45 2.07 -1.12 -4.97 121.20 120.73 2cuh s ILE 90 Ca 0.37 -0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.48 2cuh s ILE 90 Cb 0.04 -1.02 0.04 0.00 0.13 0.00 0.00 42.46 41.65 2cuh s ILE 90 CO 0.20 -0.05 0.05 -0.89 -1.91 0.00 0.00 174.94 172.34 2cuh s THR 91 N -3.34 3.42 -0.02 4.00 2.01 -1.26 -3.44 115.64 117.01 2cuh s THR 91 Ca -0.01 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 60.85 2cuh s THR 91 Cb -0.01 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2cuh s THR 91 CO -0.09 -0.09 -0.12 0.72 -0.69 0.00 0.00 174.62 174.34 2cuh s PHE 92 N 1.35 1.16 -0.06 4.92 -0.71 -1.26 -5.03 117.98 118.36 2cuh s PHE 92 Ca -0.03 -0.25 -0.20 0.00 -1.04 0.00 0.00 56.93 55.42 2cuh s PHE 92 Cb -0.19 -0.77 -0.05 0.00 -1.21 0.00 0.00 43.02 40.81 2cuh s PHE 92 CO 0.01 -0.05 0.56 0.99 -1.34 0.00 0.00 175.22 175.39 2cuh s THR 93 N -0.16 5.04 0.02 -4.49 2.01 -1.26 -3.64 115.64 113.16 2cuh s THR 93 Ca 0.02 1.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.95 2cuh s THR 93 Cb -0.06 -3.90 -0.16 0.00 0.01 0.00 0.00 72.50 68.39 2cuh s THR 93 CO -0.00 0.36 1.36 0.71 -0.69 0.00 0.00 174.62 176.36 2cuh h THR 94 N 4.44 1.33 -3.57 -0.82 1.35 -1.84 -3.38 112.91 110.41 2cuh h THR 94 Ca -0.43 -1.08 -0.71 0.00 -0.55 0.00 0.00 66.41 63.63 2cuh h THR 94 Cb 1.19 1.88 -0.34 0.00 -1.73 0.00 0.00 68.15 69.15 2cuh h THR 94 CO 0.72 0.30 -0.24 -0.83 -0.25 0.00 0.00 175.52 175.22 2cuh s GLY 95 N -3.18 2.62 -0.42 5.82 0.00 -1.26 -4.59 107.32 106.31 2cuh s GLY 95 Ca -0.15 -3.37 -0.02 0.00 0.00 0.00 0.00 44.72 41.19 2cuh s GLY 95 CO 0.71 1.14 2.18 -0.10 0.00 0.00 0.00 173.10 177.03 2cuh n LEU 96 N 3.38 6.70 -3.69 0.66 7.94 -1.26 -4.36 117.00 126.38 2cuh n LEU 96 Ca 0.11 -3.66 -0.29 0.00 -1.11 0.00 0.00 56.01 51.06 2cuh n LEU 96 Cb 0.39 -1.08 -0.15 0.00 0.53 0.00 0.00 43.42 43.10 2cuh n LEU 96 CO 0.34 1.39 -0.34 -0.70 -1.11 0.00 0.00 177.39 176.96 2cuh s GLU 97 N -2.18 0.56 -0.00 1.96 2.12 -1.26 -4.90 118.70 115.00 2cuh s GLU 97 Ca 0.43 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 2cuh s GLU 97 Cb 0.32 -1.83 0.10 0.00 0.26 0.00 0.00 34.13 32.98 2cuh s GLU 97 CO -0.06 -0.89 0.99 0.00 -0.54 0.00 0.00 175.26 174.75 2cuh s ALA 98 N 1.81 -1.86 -2.00 6.30 0.00 -1.26 -5.01 121.76 119.74 2cuh s ALA 98 Ca 0.06 0.89 0.12 0.00 0.00 0.00 0.00 51.96 53.04 2cuh s ALA 98 Cb -0.17 0.37 0.70 0.00 0.00 0.00 0.00 23.12 24.03 2cuh s ALA 98 CO -0.23 -0.78 1.13 -0.35 0.00 0.00 0.00 175.76 175.54 2cuh n PRO 99 N -0.29 0.48 -0.84 0.00 -0.04 -1.26 -3.25 135.00 129.81 2cuh n PRO 99 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.31 2cuh n PRO 99 Cb 0.61 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.57 2cuh n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cuh n ARG 100 N -0.88 1.68 -3.69 0.54 1.74 -1.26 -4.65 116.66 110.14 2cuh n ARG 100 Ca 0.09 -0.73 -0.21 0.00 -0.77 0.00 0.00 57.85 56.23 2cuh n ARG 100 Cb 0.04 -1.75 0.03 0.00 -1.02 0.00 0.00 32.46 29.76 2cuh n ARG 100 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cuh n ASP 101 N 2.28 -1.28 -4.45 0.55 2.03 -1.26 -4.90 116.55 109.53 2cuh n ASP 101 Ca 0.31 -0.82 -0.44 0.00 0.52 0.00 0.00 54.79 54.36 2cuh n ASP 101 Cb 0.78 -4.06 -0.03 0.00 -0.72 0.00 0.00 41.12 37.09 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cuh s LEU 102 N -6.65 5.01 1.04 -2.67 2.01 -1.20 -5.02 118.68 111.19 2cuh s LEU 102 Ca 0.01 -1.97 -0.15 0.00 0.01 0.00 0.00 54.13 52.04 2cuh s LEU 102 Cb -0.00 -2.40 0.21 0.00 0.01 0.00 0.00 46.19 44.00 2cuh s LEU 102 CO 0.81 -1.09 1.15 -1.61 1.01 0.00 0.00 176.35 176.62 2cuh s GLU 103 N 2.79 0.11 -0.30 1.70 0.41 -1.26 -4.83 118.70 117.32 2cuh s GLU 103 Ca 0.32 0.10 -0.16 0.00 -0.41 0.00 0.00 54.97 54.82 2cuh s GLU 103 Cb -0.06 -1.74 0.17 0.00 -1.78 0.00 0.00 34.13 30.73 2cuh s GLU 103 CO -0.08 -2.86 1.06 0.00 -0.49 0.00 0.00 175.26 172.89 2cuh s ALA 104 N -3.22 -2.82 0.14 5.21 0.00 -1.26 -5.06 121.76 114.75 2cuh s ALA 104 Ca 0.68 2.00 -0.32 0.00 0.00 0.00 0.00 51.96 54.31 2cuh s ALA 104 Cb -0.12 -2.10 -0.18 0.00 0.00 0.00 0.00 23.12 20.73 2cuh s ALA 104 CO 0.55 -0.93 0.81 1.63 0.00 0.00 0.00 175.76 177.81 2cuh n LYS 105 N 4.81 0.24 -1.84 0.00 4.01 -1.26 -4.93 118.16 119.20 2cuh n LYS 105 Ca -0.09 0.08 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2cuh n LYS 105 Cb 0.53 -1.33 0.06 0.00 -0.51 0.00 0.00 35.03 33.79 2cuh n LYS 105 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2cuh s GLU 106 N -0.64 2.50 0.24 1.97 2.12 -1.26 -5.08 118.70 118.55 2cuh s GLU 106 Ca 0.73 0.39 0.07 0.00 0.36 0.00 0.00 54.97 56.53 2cuh s GLU 106 Cb -1.01 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2cuh s GLU 106 CO 0.56 -1.28 0.16 0.14 -0.54 0.00 0.00 175.26 174.30 2cuh s VAL 107 N -3.39 4.29 0.32 3.70 -7.23 -1.26 -5.10 120.40 111.75 2cuh s VAL 107 Ca 0.60 -1.44 -0.28 0.00 -1.81 0.00 0.00 61.98 59.04 2cuh s VAL 107 Cb -0.12 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.43 2cuh s VAL 107 CO 0.51 -0.32 1.17 0.28 -0.31 0.00 0.00 175.10 176.43 2cuh s THR 108 N -2.11 3.21 0.96 5.32 -1.32 -1.26 -5.04 115.64 115.41 2cuh s THR 108 Ca 0.32 1.17 -0.16 0.00 -1.21 0.00 0.00 61.69 61.81 2cuh s THR 108 Cb -0.08 -3.72 0.24 0.00 -1.51 0.00 0.00 72.50 67.43 2cuh s THR 108 CO 0.24 0.24 0.85 -0.81 -2.21 0.00 0.00 174.62 172.92 2cuh n PRO 109 N 0.80 -2.69 -0.65 7.08 -0.04 -1.26 -5.01 135.00 133.23 2cuh n PRO 109 Ca 0.01 -1.36 -0.29 0.00 -0.04 0.00 0.00 63.50 61.81 2cuh n PRO 109 Cb 0.44 -1.28 0.21 0.00 -0.04 0.00 0.00 33.50 32.84 2cuh n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cuh s SER 110 N -3.79 1.86 0.00 3.54 1.04 -1.26 -5.06 113.70 110.04 2cuh s SER 110 Ca 0.55 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.75 2cuh s SER 110 Cb -0.05 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2cuh s SER 110 CO 0.42 -3.69 0.00 0.61 0.98 0.00 0.00 173.24 171.56 2cuh n GLY 111 N 0.43 5.07 3.77 7.32 0.00 -1.26 -5.11 105.19 115.42 2cuh n GLY 111 Ca 0.07 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 2cuh n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 112 N 2.05 3.23 -0.03 1.61 0.04 -1.26 -5.04 135.00 135.61 2cuh s PRO 112 Ca 0.00 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2cuh s PRO 112 Cb 0.00 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2cuh s PRO 112 CO 0.00 -0.94 0.25 -1.54 0.04 0.00 0.00 177.00 174.82 2cuh s SER 113 N -1.96 6.51 -0.13 6.66 1.04 -1.26 -5.08 113.70 119.48 2cuh s SER 113 Ca 0.71 0.59 -0.33 0.00 0.48 0.00 0.00 55.95 57.40 2cuh s SER 113 Cb -0.23 -2.10 0.13 0.00 0.10 0.00 0.00 66.02 63.92 2cuh s SER 113 CO 0.30 0.30 1.22 -0.94 0.98 0.00 0.00 173.24 175.10 2cuh s SER 114 N -1.45 -0.12 0.00 7.02 1.04 -1.26 -5.36 113.70 113.57 2cuh s SER 114 Ca 0.24 -0.05 0.22 0.00 0.48 0.00 0.00 55.95 56.84 2cuh s SER 114 Cb -0.13 0.16 1.32 0.00 0.10 0.00 0.00 66.02 67.47 2cuh s SER 114 CO 0.13 -0.28 1.70 0.61 0.98 0.00 0.00 173.24 176.38