#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 -0.19 -0.02 1.61 0.15 -1.26 -5.08 113.70 108.91 2cuh s SER 2 Ca 0.00 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 2cuh s SER 2 Cb 0.00 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2cuh s SER 2 CO 0.00 -0.16 -0.03 -0.24 1.20 0.00 0.00 173.24 174.01 2cuh n SER 3 N 0.76 1.07 0.00 5.45 2.88 -1.26 -5.15 113.62 117.37 2cuh n SER 3 Ca -0.05 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2cuh n SER 3 Cb 0.58 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2cuh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cuh n GLY 4 N 2.98 0.13 2.19 0.46 0.00 -1.26 -4.73 105.19 104.96 2cuh n GLY 4 Ca -0.05 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 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 4.90 -4.15 1.61 2.88 -1.26 -4.98 113.62 112.62 2cuh n SER 5 Ca 0.00 -3.74 -0.35 0.00 -1.33 0.00 0.00 58.87 53.45 2cuh n SER 5 Cb 0.00 -0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 2cuh n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cuh s SER 6 N -3.54 4.92 0.00 -3.46 0.15 -1.26 -4.83 113.70 105.68 2cuh s SER 6 Ca 0.50 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2cuh s SER 6 Cb 0.41 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2cuh s SER 6 CO -0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2cuh n GLY 7 N 4.59 0.67 3.65 9.45 0.00 -1.26 -5.09 105.19 117.20 2cuh n GLY 7 Ca -0.11 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2cuh n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 8 N 0.00 4.08 -0.21 1.61 0.04 -1.26 -4.89 135.00 134.38 2cuh s PRO 8 Ca 0.00 1.90 0.15 0.00 0.04 0.00 0.00 61.00 63.10 2cuh s PRO 8 Cb 0.00 -3.95 0.65 0.00 0.04 0.00 0.00 34.50 31.24 2cuh s PRO 8 CO 0.00 -0.94 1.56 -0.25 0.04 0.00 0.00 177.00 177.40 2cuh n ASP 9 N 7.39 4.60 -2.05 6.66 9.92 -1.26 -4.93 116.55 136.88 2cuh n ASP 9 Ca 0.17 -3.01 -0.00 0.00 -0.53 0.00 0.00 54.79 51.42 2cuh n ASP 9 Cb 0.44 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 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 -0.09 2.64 3.72 0.44 0.00 -1.26 -4.72 105.19 105.93 2cuh n GLY 10 Ca 0.24 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.04 4.36 0.31 1.61 0.04 -1.26 -4.46 135.00 133.55 2cuh s PRO 11 Ca 0.01 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 11 Cb -0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2cuh s PRO 11 CO 0.00 -0.34 0.18 0.95 0.04 0.00 0.00 177.00 177.83 2cuh s THR 12 N 0.67 0.25 -1.46 1.26 -4.23 -1.23 -4.43 115.64 106.47 2cuh s THR 12 Ca 0.61 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 2cuh s THR 12 Cb -0.36 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.04 2cuh s THR 12 CO 0.34 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 175.23 2cuh n GLN 13 N -0.59 -5.27 -1.67 3.99 1.13 -1.26 -2.12 117.38 111.58 2cuh n GLN 13 Ca 0.02 0.68 -0.42 0.00 -1.94 0.00 0.00 57.00 55.34 2cuh n GLN 13 Cb 0.64 -5.55 -0.03 0.00 0.11 0.00 0.00 30.24 25.41 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 -6.97 4.43 0.26 1.08 2.96 -1.26 -4.62 118.68 114.55 2cuh s LEU 14 Ca 0.51 2.71 0.12 0.00 -0.22 0.00 0.00 54.13 57.25 2cuh s LEU 14 Cb -0.25 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 2cuh s LEU 14 CO 0.63 -1.05 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.83 2cuh s ARG 15 N 3.98 1.72 -0.50 1.98 3.52 -1.00 -4.97 118.95 123.68 2cuh s ARG 15 Ca 0.87 -1.67 -0.19 0.00 -0.13 0.00 0.00 55.73 54.61 2cuh s ARG 15 Cb -0.44 -1.84 0.05 0.00 -1.56 0.00 0.00 34.95 31.17 2cuh s ARG 15 CO 0.40 0.35 0.63 0.00 -0.81 0.00 0.00 175.30 175.88 2cuh s ALA 16 N -2.29 3.38 1.01 6.12 0.00 -1.26 -3.77 121.76 124.95 2cuh s ALA 16 Ca 0.28 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 2cuh s ALA 16 Cb -0.06 -3.35 0.19 0.00 0.00 0.00 0.00 23.12 19.90 2cuh s ALA 16 CO 0.14 -1.99 1.11 -0.51 0.00 0.00 0.00 175.76 174.51 2cuh s LEU 17 N 2.67 1.57 -0.45 0.00 1.43 -1.26 -4.92 118.68 117.71 2cuh s LEU 17 Ca 0.16 1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 54.00 2cuh s LEU 17 Cb -0.19 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2cuh s LEU 17 CO 0.13 -3.14 1.69 0.21 0.23 0.00 0.00 176.35 175.46 2cuh s ASN 18 N -3.68 5.85 -0.07 2.29 3.84 -1.26 -4.94 114.94 116.96 2cuh s ASN 18 Ca 0.66 0.82 -0.29 0.00 0.21 0.00 0.00 52.86 54.25 2cuh s ASN 18 Cb -0.16 -2.53 -0.06 0.00 -0.55 0.00 0.00 41.25 37.94 2cuh s ASN 18 CO 0.56 -1.83 1.91 -0.76 -2.79 0.00 0.00 177.10 174.19 2cuh s LEU 19 N 7.07 4.12 1.15 3.21 1.02 -1.26 -4.96 118.68 129.03 2cuh s LEU 19 Ca 0.69 2.26 -0.16 0.00 0.02 0.00 0.00 54.13 56.95 2cuh s LEU 19 Cb -0.17 -3.53 0.19 0.00 0.02 0.00 0.00 46.19 42.71 2cuh s LEU 19 CO 0.29 -1.26 0.46 0.41 0.02 0.00 0.00 176.35 176.27 2cuh n THR 20 N 6.14 0.00 -0.52 5.49 -1.04 -0.80 -4.69 114.28 118.86 2cuh n THR 20 Ca 0.21 -0.37 0.41 0.00 -2.04 0.00 0.00 64.05 62.26 2cuh n THR 20 Cb 0.43 -0.78 0.63 0.00 -1.82 0.00 0.00 70.33 68.79 2cuh n THR 20 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2cuh n GLU 21 N -3.37 0.00 -2.02 -2.82 -0.00 -1.26 -2.63 120.64 108.54 2cuh n GLU 21 Ca 0.02 0.92 -0.01 0.00 -0.00 0.00 0.00 57.16 58.08 2cuh n GLU 21 Cb 0.58 -2.15 0.06 0.00 -0.00 0.00 0.00 31.44 29.94 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 -1.75 0.55 2.65 -1.84 0.00 -1.26 -4.92 105.19 98.62 2cuh n GLY 22 Ca 0.34 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 0.06 0.59 -0.22 1.61 5.36 -1.08 -5.03 117.98 119.28 2cuh s PHE 23 Ca 0.04 -0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 55.24 2cuh s PHE 23 Cb 0.22 -0.90 -0.05 0.00 -0.34 0.00 0.00 43.02 41.95 2cuh s PHE 23 CO -0.06 -0.61 0.18 0.00 -1.46 0.00 0.00 175.22 173.27 2cuh s ALA 24 N 2.00 3.63 0.11 11.12 0.00 -1.26 -1.91 121.76 135.46 2cuh s ALA 24 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2cuh s ALA 24 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2cuh s ALA 24 CO -0.13 -0.06 -0.08 0.14 0.00 0.00 0.00 175.76 175.63 2cuh s VAL 25 N 0.79 0.83 0.08 0.00 -7.23 -1.26 0.26 120.40 113.86 2cuh s VAL 25 Ca 0.09 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2cuh s VAL 25 Cb -0.13 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2cuh s VAL 25 CO 0.02 -0.81 0.23 -0.76 -0.31 0.00 0.00 175.10 173.47 2cuh s LEU 26 N -2.99 4.35 -0.11 1.32 1.43 -1.11 -4.56 118.68 117.01 2cuh s LEU 26 Ca 0.12 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2cuh s LEU 26 Cb 0.04 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.32 2cuh s LEU 26 CO -0.03 0.15 -0.07 -2.28 0.23 0.00 0.00 176.35 174.35 2cuh s HIS 27 N -1.55 1.40 0.12 0.29 2.46 -1.25 -3.47 115.29 113.29 2cuh s HIS 27 Ca 0.35 -0.69 0.06 0.00 0.47 0.00 0.00 55.06 55.25 2cuh s HIS 27 Cb -0.13 -1.19 -0.04 0.00 -0.13 0.00 0.00 32.58 31.10 2cuh s HIS 27 CO 0.28 -0.50 -0.16 1.67 -2.47 0.00 0.00 174.74 173.57 2cuh s TRP 28 N 1.74 1.48 -0.19 3.88 -2.14 -1.22 -2.37 118.94 120.12 2cuh s TRP 28 Ca 0.05 -0.51 -0.18 0.00 2.66 0.00 0.00 56.10 58.12 2cuh s TRP 28 Cb -0.13 -0.78 -0.03 0.00 -3.10 0.00 0.00 33.47 29.43 2cuh s TRP 28 CO -0.08 0.16 0.50 0.21 -2.66 0.00 0.00 176.95 175.09 2cuh s LYS 29 N -2.44 4.20 -0.03 3.25 2.20 -0.90 -4.87 119.74 121.15 2cuh s LYS 29 Ca 0.08 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 2cuh s LYS 29 Cb -0.06 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2cuh s LYS 29 CO 0.04 -0.11 1.47 -1.25 -0.36 0.00 0.00 175.35 175.13 2cuh s PRO 30 N 1.51 4.24 0.77 4.03 0.04 -1.26 -3.50 135.00 140.83 2cuh s PRO 30 Ca 0.24 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 2cuh s PRO 30 Cb -0.15 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.75 2cuh s PRO 30 CO 0.09 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.31 2cuh s PRO 31 N 2.95 2.25 0.29 0.56 0.04 -1.26 -4.87 135.00 134.95 2cuh s PRO 31 Ca 0.66 1.17 0.13 0.00 0.04 0.00 0.00 61.00 63.00 2cuh s PRO 31 Cb -0.31 -1.90 0.99 0.00 0.04 0.00 0.00 34.50 33.32 2cuh s PRO 31 CO 0.26 -1.65 1.29 0.94 0.04 0.00 0.00 177.00 177.88 2cuh n GLN 32 N -3.53 -0.05 -3.97 4.56 7.27 -1.26 -3.79 117.38 116.61 2cuh n GLN 32 Ca 0.09 1.16 -0.35 0.00 0.07 0.00 0.00 57.00 57.96 2cuh n GLN 32 Cb 0.53 -2.01 -0.13 0.00 2.41 0.00 0.00 30.24 31.04 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 -4.70 4.74 -0.20 1.69 2.47 -1.26 -5.07 114.94 112.60 2cuh s ASN 33 Ca -0.08 -0.26 -0.29 0.00 0.42 0.00 0.00 52.86 52.65 2cuh s ASN 33 Cb 0.27 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.22 2cuh s ASN 33 CO 0.64 0.02 1.59 -2.16 -3.72 0.00 0.00 177.10 173.47 2cuh s PRO 34 N 1.26 3.87 1.41 0.43 0.04 -1.25 -4.94 135.00 135.82 2cuh s PRO 34 Ca 0.04 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2cuh s PRO 34 Cb -0.15 -4.01 0.36 0.00 0.04 0.00 0.00 34.50 30.75 2cuh s PRO 34 CO 0.01 -1.20 0.97 0.14 0.04 0.00 0.00 177.00 176.96 2cuh s VAL 35 N 4.93 1.18 -0.15 -0.36 -7.23 -1.26 -4.99 120.40 112.52 2cuh s VAL 35 Ca 0.70 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.76 2cuh s VAL 35 Cb -0.26 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 2cuh s VAL 35 CO 0.28 0.00 -0.10 -0.78 -0.31 0.00 0.00 175.10 174.19 2cuh h ASP 36 N -3.35 0.00 -4.35 4.85 3.58 -1.90 -3.34 116.42 111.91 2cuh h ASP 36 Ca -0.41 -0.09 -0.19 0.00 0.42 0.00 0.00 57.03 56.76 2cuh h ASP 36 Cb 1.32 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.13 2cuh h ASP 36 CO 0.25 0.87 -0.67 0.42 -2.88 0.00 0.00 179.24 177.23 2cuh s THR 37 N -2.23 0.05 -0.18 2.25 -4.23 -1.25 -0.05 115.64 110.00 2cuh s THR 37 Ca -0.16 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 2cuh s THR 37 Cb 0.03 -0.18 -0.05 0.00 1.34 0.00 0.00 72.50 73.64 2cuh s THR 37 CO 0.27 -0.23 0.20 -0.31 -0.54 0.00 0.00 174.62 174.01 2cuh s TYR 38 N -0.71 3.43 -0.55 3.99 2.02 0.86 -0.91 117.35 125.49 2cuh s TYR 38 Ca -0.08 0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.88 2cuh s TYR 38 Cb -0.05 -2.24 0.08 0.00 -0.40 0.00 0.00 41.96 39.35 2cuh s TYR 38 CO -0.00 0.27 0.65 0.34 -1.57 0.00 0.00 175.55 175.24 2cuh s ASP 39 N 0.40 6.20 -0.12 2.29 -1.08 0.20 -3.15 116.67 121.41 2cuh s ASP 39 Ca 0.12 -1.20 -0.04 0.00 -0.52 0.00 0.00 52.55 50.91 2cuh s ASP 39 Cb -0.12 -2.29 -0.03 0.00 -1.46 0.00 0.00 42.92 39.02 2cuh s ASP 39 CO 0.01 -0.99 0.02 -0.63 0.52 0.00 0.00 175.17 174.10 2cuh s ILE 40 N 2.59 4.45 -0.07 4.11 1.01 -0.92 -0.48 121.20 131.88 2cuh s ILE 40 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2cuh s ILE 40 Cb -0.22 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.37 2cuh s ILE 40 CO 0.09 0.56 0.04 -1.58 0.00 0.00 0.00 174.94 174.04 2cuh s GLN 41 N -0.42 0.24 -0.14 2.79 0.74 -0.34 -2.38 119.66 120.14 2cuh s GLN 41 Ca 0.08 0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.63 2cuh s GLN 41 Cb -0.12 -0.91 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 2cuh s GLN 41 CO 0.02 -0.37 0.01 0.08 -0.55 0.00 0.00 175.29 174.48 2cuh s VAL 42 N 2.07 4.30 0.13 1.34 1.01 -0.53 -1.65 120.40 127.07 2cuh s VAL 42 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2cuh s VAL 42 Cb -0.13 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2cuh s VAL 42 CO -0.05 0.52 0.18 0.42 0.00 0.00 0.00 175.10 176.16 2cuh s THR 43 N -0.00 0.11 -0.01 3.92 -4.23 -0.83 -1.60 115.64 112.99 2cuh s THR 43 Ca 0.03 -1.51 -0.29 0.00 -1.18 0.00 0.00 61.69 58.74 2cuh s THR 43 Cb -0.13 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.05 2cuh s THR 43 CO 0.02 -0.49 0.70 0.00 -0.54 0.00 0.00 174.62 174.31 2cuh s ALA 44 N -3.96 -1.75 -1.14 3.99 0.00 -1.26 -1.92 121.76 115.72 2cuh s ALA 44 Ca 0.15 1.16 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 2cuh s ALA 44 Cb 0.05 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 2cuh s ALA 44 CO -0.03 -0.46 1.94 -1.25 0.00 0.00 0.00 175.76 175.95 2cuh s PRO 45 N -1.79 2.50 0.00 0.00 0.04 -1.26 -2.04 135.00 132.45 2cuh s PRO 45 Ca -0.07 -1.04 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 0.04 -3.90 0.00 0.41 0.04 0.00 0.00 177.00 173.58 2cuh n GLY 46 N 5.96 0.89 3.67 0.56 0.00 -1.26 -5.13 105.19 109.89 2cuh n GLY 46 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.18 3.23 0.60 4.61 0.00 -0.87 -5.12 121.76 123.03 2cuh s ALA 47 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 2cuh s ALA 47 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2cuh s ALA 47 CO 0.00 0.48 1.12 -1.25 0.00 0.00 0.00 175.76 176.11 2cuh s PRO 48 N -2.97 3.10 0.28 0.00 0.04 -1.26 -4.33 135.00 129.85 2cuh s PRO 48 Ca 0.28 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 2cuh s PRO 48 Cb -0.09 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2cuh s PRO 48 CO 0.19 -1.03 1.25 -1.25 0.04 0.00 0.00 177.00 176.20 2cuh s PRO 49 N -3.68 4.44 -0.07 0.56 0.04 -1.26 -4.74 135.00 130.28 2cuh s PRO 49 Ca 0.70 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.83 2cuh s PRO 49 Cb -0.22 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2cuh s PRO 49 CO 0.34 -0.10 -0.17 -1.17 0.04 0.00 0.00 177.00 175.94 2cuh s LEU 50 N -1.17 1.81 -0.04 -3.56 2.96 -0.63 -5.03 118.68 113.02 2cuh s LEU 50 Ca 0.50 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2cuh s LEU 50 Cb -0.37 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 2cuh s LEU 50 CO 0.45 0.09 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.80 2cuh s GLN 51 N 0.50 1.84 -0.02 1.98 -0.44 -1.26 -1.46 119.66 120.81 2cuh s GLN 51 Ca -0.15 -0.67 -0.18 0.00 -2.50 0.00 0.00 55.36 51.86 2cuh s GLN 51 Cb -0.16 -1.63 0.03 0.00 -1.64 0.00 0.00 33.01 29.61 2cuh s GLN 51 CO 0.05 0.31 0.37 0.00 0.50 0.00 0.00 175.29 176.52 2cuh s ALA 52 N -0.11 -0.96 0.13 1.58 0.00 -1.00 -5.06 121.76 116.34 2cuh s ALA 52 Ca -0.01 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2cuh s ALA 52 Cb -0.11 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2cuh s ALA 52 CO 0.02 -0.28 -0.09 -2.00 0.00 0.00 0.00 175.76 173.40 2cuh s GLU 53 N -1.32 0.97 -0.09 0.00 2.12 -1.26 -2.17 118.70 116.95 2cuh s GLU 53 Ca -0.13 -1.38 -0.26 0.00 0.36 0.00 0.00 54.97 53.56 2cuh s GLU 53 Cb -0.04 -0.52 0.06 0.00 0.26 0.00 0.00 34.13 33.89 2cuh s GLU 53 CO 0.05 0.06 0.60 -0.08 -0.54 0.00 0.00 175.26 175.35 2cuh s THR 54 N -3.24 0.01 0.44 -1.70 -1.32 -1.19 -4.97 115.64 103.67 2cuh s THR 54 Ca 0.14 -0.08 -0.24 0.00 -1.21 0.00 0.00 61.69 60.30 2cuh s THR 54 Cb 0.02 -0.90 -0.08 0.00 -1.51 0.00 0.00 72.50 70.03 2cuh s THR 54 CO -0.01 -0.05 1.17 -2.16 -2.21 0.00 0.00 174.62 171.37 2cuh s PRO 55 N -0.84 3.86 0.37 7.08 0.04 -1.26 -0.10 135.00 144.14 2cuh s PRO 55 Ca -0.09 1.81 0.18 0.00 0.04 0.00 0.00 61.00 62.94 2cuh s PRO 55 Cb -0.02 -2.50 1.16 0.00 0.04 0.00 0.00 34.50 33.18 2cuh s PRO 55 CO 0.07 -0.48 1.66 0.78 0.04 0.00 0.00 177.00 179.07 2cuh h GLY 56 N 2.25 1.86 -1.83 0.56 0.00 -0.58 0.20 103.07 105.53 2cuh h GLY 56 Ca -0.49 -0.21 0.54 0.00 0.00 0.00 0.00 47.33 47.17 2cuh h GLY 56 CO 0.61 -0.45 1.39 1.48 0.00 0.00 0.00 176.54 179.57 2cuh h SER 57 N 0.28 0.00 -3.35 0.19 4.64 -1.84 -3.38 113.55 110.09 2cuh h SER 57 Ca 0.74 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.51 2cuh h SER 57 Cb 1.84 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.89 2cuh h SER 57 CO -0.55 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 175.26 2cuh s ALA 58 N -4.82 3.62 -0.08 5.18 0.00 0.69 -5.00 121.76 121.35 2cuh s ALA 58 Ca -0.05 -0.31 0.12 0.00 0.00 0.00 0.00 51.96 51.73 2cuh s ALA 58 Cb 0.25 -2.38 0.19 0.00 0.00 0.00 0.00 23.12 21.18 2cuh s ALA 58 CO 0.85 0.53 1.09 1.33 0.00 0.00 0.00 175.76 179.56 2cuh n VAL 59 N 0.10 1.54 -3.58 0.00 0.24 -1.26 -4.94 118.33 110.43 2cuh n VAL 59 Ca -0.01 -1.79 -0.08 0.00 -2.04 0.00 0.00 64.34 60.42 2cuh n VAL 59 Cb 0.52 0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.20 -0.29 -0.15 -1.34 -4.77 -1.26 -3.45 116.67 103.22 2cuh s ASP 60 Ca 0.21 0.27 -0.04 0.00 -3.30 0.00 0.00 52.55 49.68 2cuh s ASP 60 Cb 0.18 0.25 0.05 0.00 -1.09 0.00 0.00 42.92 42.31 2cuh s ASP 60 CO 0.02 -0.30 0.08 -0.47 0.70 0.00 0.00 175.17 175.19 2cuh s TYR 61 N -1.39 0.26 -0.19 2.11 6.14 -1.23 -4.95 117.35 118.10 2cuh s TYR 61 Ca 0.02 -0.27 -0.29 0.00 0.64 0.00 0.00 57.07 57.17 2cuh s TYR 61 Cb -0.01 -0.69 -0.03 0.00 0.42 0.00 0.00 41.96 41.65 2cuh s TYR 61 CO -0.02 -0.46 1.59 -1.25 0.64 0.00 0.00 175.55 176.05 2cuh s PRO 62 N 2.11 3.90 -0.51 4.97 0.04 -1.26 -2.76 135.00 141.48 2cuh s PRO 62 Ca 0.02 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 2cuh s PRO 62 Cb -0.15 -4.00 0.07 0.00 0.04 0.00 0.00 34.50 30.45 2cuh s PRO 62 CO -0.08 -1.17 0.59 -0.51 0.04 0.00 0.00 177.00 175.87 2cuh s LEU 63 N 4.85 5.17 0.65 -3.56 1.43 0.14 -4.94 118.68 122.42 2cuh s LEU 63 Ca 0.70 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2cuh s LEU 63 Cb -0.26 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 43.69 2cuh s LEU 63 CO 0.28 -0.87 0.90 -2.28 0.23 0.00 0.00 176.35 174.61 2cuh s HIS 64 N 2.42 1.86 -0.97 0.29 2.46 -1.26 -4.29 115.29 115.80 2cuh s HIS 64 Ca 0.12 -0.30 -0.01 0.00 0.47 0.00 0.00 55.06 55.34 2cuh s HIS 64 Cb -0.21 -2.79 -0.01 0.00 -0.13 0.00 0.00 32.58 29.44 2cuh s HIS 64 CO 0.10 -1.40 0.82 -3.47 -2.47 0.00 0.00 174.74 168.31 2cuh n ASP 65 N -2.60 -2.84 -4.14 9.88 2.03 -1.26 -5.01 116.55 112.61 2cuh n ASP 65 Ca 0.13 -0.53 -0.34 0.00 0.52 0.00 0.00 54.79 54.57 2cuh n ASP 65 Cb 0.60 -4.36 -0.14 0.00 -0.72 0.00 0.00 41.12 36.51 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 -5.48 3.88 0.12 -2.67 1.43 -1.26 -5.08 118.68 109.62 2cuh s LEU 66 Ca 0.08 -1.38 -0.34 0.00 -1.03 0.00 0.00 54.13 51.47 2cuh s LEU 66 Cb -0.01 -1.67 -0.18 0.00 0.03 0.00 0.00 46.19 44.36 2cuh s LEU 66 CO 0.61 -0.26 0.89 0.52 0.23 0.00 0.00 176.35 178.33 2cuh n VAL 67 N 4.56 0.98 -2.60 -1.59 0.31 -1.26 -4.85 118.33 113.87 2cuh n VAL 67 Ca -0.12 -0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 63.64 2cuh n VAL 67 Cb 0.43 -0.21 -0.05 0.00 -0.91 0.00 0.00 33.84 33.10 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 1.26 3.76 -1.05 7.52 2.01 -1.26 -4.01 118.68 126.92 2cuh s LEU 68 Ca 0.76 1.56 -0.06 0.00 0.01 0.00 0.00 54.13 56.40 2cuh s LEU 68 Cb -1.04 -4.46 0.01 0.00 0.01 0.00 0.00 46.19 40.71 2cuh s LEU 68 CO 0.56 -0.48 0.91 1.41 1.01 0.00 0.00 176.35 179.75 2cuh n HIS 69 N -1.21 -2.18 -3.67 0.29 8.25 -1.25 -4.97 115.22 110.48 2cuh n HIS 69 Ca 0.06 0.79 -0.13 0.00 -0.26 0.00 0.00 57.72 58.18 2cuh n HIS 69 Cb 0.54 -4.23 -0.08 0.00 1.12 0.00 0.00 29.99 27.33 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 -3.26 -0.00 0.26 1.59 2.01 -1.26 -5.05 115.64 109.94 2cuh s THR 70 Ca 0.38 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2cuh s THR 70 Cb -0.17 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 2cuh s THR 70 CO 0.57 0.00 1.04 0.20 -0.69 0.00 0.00 174.62 175.74 2cuh s ASN 71 N 0.48 7.42 -0.06 3.53 -0.87 -1.26 -3.87 114.94 120.31 2cuh s ASN 71 Ca -0.01 2.14 0.02 0.00 -1.57 0.00 0.00 52.86 53.43 2cuh s ASN 71 Cb -0.04 -2.62 0.02 0.00 -0.02 0.00 0.00 41.25 38.58 2cuh s ASN 71 CO -0.02 -0.02 -0.10 -0.31 -2.57 0.00 0.00 177.10 174.08 2cuh s TYR 72 N -1.14 1.22 -0.25 2.20 2.02 -1.20 -4.68 117.35 115.52 2cuh s TYR 72 Ca 0.43 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 2cuh s TYR 72 Cb -0.30 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 2cuh s TYR 72 CO 0.37 -0.25 0.19 0.99 -1.57 0.00 0.00 175.55 175.29 2cuh s THR 73 N 0.74 5.33 -0.06 -0.71 2.01 -0.81 -3.72 115.64 118.42 2cuh s THR 73 Ca -0.13 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2cuh s THR 73 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2cuh s THR 73 CO 0.03 0.31 -0.17 0.00 -0.69 0.00 0.00 174.62 174.09 2cuh s ALA 74 N 1.28 2.51 -0.15 7.40 0.00 -1.23 -1.97 121.76 129.59 2cuh s ALA 74 Ca 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2cuh s ALA 74 Cb -0.14 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.11 2cuh s ALA 74 CO 0.06 0.48 -0.10 0.99 0.00 0.00 0.00 175.76 177.20 2cuh s THR 75 N -0.44 1.34 -0.10 0.00 2.01 -0.66 -2.48 115.64 115.30 2cuh s THR 75 Ca 0.05 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2cuh s THR 75 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2cuh s THR 75 CO 0.02 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.50 2cuh s VAL 76 N 1.56 3.65 0.30 3.82 1.01 0.67 -1.20 120.40 130.21 2cuh s VAL 76 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2cuh s VAL 76 Cb -0.14 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2cuh s VAL 76 CO -0.09 0.55 0.06 -0.13 0.00 0.00 0.00 175.10 175.50 2cuh s ARG 77 N -0.27 1.55 -0.11 2.72 0.52 0.37 -0.09 118.95 123.64 2cuh s ARG 77 Ca 0.04 -1.85 0.01 0.00 -0.52 0.00 0.00 55.73 53.41 2cuh s ARG 77 Cb -0.13 -0.68 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 2cuh s ARG 77 CO 0.02 -0.20 -0.13 0.20 0.02 0.00 0.00 175.30 175.21 2cuh s GLY 78 N -3.42 1.54 -0.54 -3.53 0.00 -1.26 -0.63 107.32 99.47 2cuh s GLY 78 Ca 0.36 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 2cuh s GLY 78 CO 0.14 -0.35 0.55 1.08 0.00 0.00 0.00 173.10 174.53 2cuh s LEU 79 N 0.06 5.80 -0.43 0.66 2.01 -0.09 -1.64 118.68 125.04 2cuh s LEU 79 Ca -0.05 -1.56 0.03 0.00 0.01 0.00 0.00 54.13 52.56 2cuh s LEU 79 Cb -0.15 -2.25 0.12 0.00 0.01 0.00 0.00 46.19 43.92 2cuh s LEU 79 CO 0.04 -0.91 0.17 -0.13 1.01 0.00 0.00 176.35 176.54 2cuh s ARG 80 N 1.99 1.62 3.62 1.70 0.52 -1.17 -2.77 118.95 124.46 2cuh s ARG 80 Ca 0.06 -2.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.11 2cuh s ARG 80 Cb -0.27 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.14 2cuh s ARG 80 CO 0.05 -1.05 0.00 0.41 0.02 0.00 0.00 175.30 174.73 2cuh n GLY 81 N 3.70 0.79 0.00 -3.53 0.00 -1.26 -2.48 105.19 102.41 2cuh n GLY 81 Ca 0.05 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.52 1.61 -0.04 -1.26 -4.73 135.00 126.55 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 -1.31 -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 -1.81 4.13 0.15 3.54 0.01 -1.03 -5.16 114.94 114.76 2cuh s ASN 83 Ca 0.14 -1.41 0.06 0.00 -0.71 0.00 0.00 52.86 50.95 2cuh s ASN 83 Cb 0.07 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 2cuh s ASN 83 CO 0.11 -0.66 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.14 2cuh s LEU 84 N -3.85 2.46 0.65 0.60 1.43 -1.26 -3.06 118.68 115.66 2cuh s LEU 84 Ca 0.26 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2cuh s LEU 84 Cb 0.05 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.83 2cuh s LEU 84 CO 0.14 -0.18 0.90 0.42 0.23 0.00 0.00 176.35 177.85 2cuh s THR 85 N -2.56 2.18 0.12 5.49 -4.23 -0.65 -4.94 115.64 111.05 2cuh s THR 85 Ca 0.14 -0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 2cuh s THR 85 Cb -0.03 -2.41 -0.08 0.00 1.34 0.00 0.00 72.50 71.32 2cuh s THR 85 CO 0.03 0.00 1.37 -0.94 -0.54 0.00 0.00 174.62 174.55 2cuh s SER 86 N -4.69 6.85 0.37 3.99 1.04 -1.26 -4.52 113.70 115.47 2cuh s SER 86 Ca 0.64 2.31 -0.27 0.00 0.48 0.00 0.00 55.95 59.12 2cuh s SER 86 Cb -0.06 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 2cuh s SER 86 CO 0.42 -0.63 1.20 -2.16 0.98 0.00 0.00 173.24 173.05 2cuh s PRO 87 N 1.00 4.21 -0.14 4.02 0.04 -1.26 -4.41 135.00 138.46 2cuh s PRO 87 Ca 0.64 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2cuh s PRO 87 Cb -0.36 -2.85 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2cuh s PRO 87 CO 0.31 -0.22 -0.00 0.00 0.04 0.00 0.00 177.00 177.12 2cuh s ALA 88 N -1.30 1.01 0.38 8.56 0.00 0.88 -4.96 121.76 126.33 2cuh s ALA 88 Ca 0.53 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.06 2cuh s ALA 88 Cb -0.34 -0.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.73 2cuh s ALA 88 CO 0.43 -0.76 0.03 0.45 0.00 0.00 0.00 175.76 175.90 2cuh s SER 89 N 1.84 3.40 -0.05 0.00 0.15 -1.26 -0.24 113.70 117.55 2cuh s SER 89 Ca 0.02 -1.37 -0.30 0.00 0.70 0.00 0.00 55.95 54.99 2cuh s SER 89 Cb -0.14 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 2cuh s SER 89 CO -0.07 -0.50 0.71 -0.51 1.20 0.00 0.00 173.24 174.07 2cuh s ILE 90 N -2.90 0.00 -0.23 6.45 2.07 -1.03 -4.92 121.20 120.63 2cuh s ILE 90 Ca 0.35 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.49 2cuh s ILE 90 Cb 0.10 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.64 2cuh s ILE 90 CO 0.17 0.00 0.17 0.42 -1.91 0.00 0.00 174.94 173.79 2cuh s THR 91 N -1.36 5.36 0.01 4.00 -4.23 -1.26 -3.49 115.64 114.67 2cuh s THR 91 Ca -0.09 0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2cuh s THR 91 Cb -0.00 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2cuh s THR 91 CO 0.07 0.35 -0.00 0.72 -0.54 0.00 0.00 174.62 175.22 2cuh s PHE 92 N 1.00 0.11 -0.02 3.99 -0.12 -1.24 -5.02 117.98 116.68 2cuh s PHE 92 Ca 0.08 -0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 56.69 2cuh s PHE 92 Cb -0.13 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 2cuh s PHE 92 CO 0.04 -0.10 0.19 0.99 -0.05 0.00 0.00 175.22 176.29 2cuh s THR 93 N -0.70 5.42 0.55 -4.49 2.01 -1.26 -3.21 115.64 113.95 2cuh s THR 93 Ca -0.08 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 61.96 2cuh s THR 93 Cb -0.05 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 69.00 2cuh s THR 93 CO -0.00 0.38 0.76 0.42 -0.69 0.00 0.00 174.62 175.49 2cuh s THR 94 N -1.27 2.47 -1.33 -0.82 -4.23 -1.25 -4.46 115.64 104.76 2cuh s THR 94 Ca 0.25 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.71 2cuh s THR 94 Cb -0.13 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.29 2cuh s THR 94 CO 0.16 0.00 0.42 0.61 -0.54 0.00 0.00 174.62 175.27 2cuh n GLY 95 N -2.24 -0.33 0.09 3.99 0.00 -1.26 -3.83 105.19 101.62 2cuh n GLY 95 Ca 0.12 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2cuh n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2cuh n LEU 96 N -3.18 0.49 0.19 0.99 -0.00 -1.26 -2.77 117.00 111.45 2cuh n LEU 96 Ca 0.08 0.61 0.12 0.00 -0.00 0.00 0.00 56.01 56.83 2cuh n LEU 96 Cb 0.36 -0.53 0.67 0.00 -0.00 0.00 0.00 43.42 43.92 2cuh n LEU 96 CO 0.68 -0.43 0.89 1.05 -0.00 0.00 0.00 177.39 179.58 2cuh h GLU 97 N 0.00 0.00 -6.36 1.47 4.11 -1.91 -3.42 114.58 108.47 2cuh h GLU 97 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 2cuh h GLU 97 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2cuh h GLU 97 CO 0.00 0.00 1.09 0.00 0.07 0.00 0.00 179.01 180.17 2cuh s ALA 98 N -3.63 3.64 -1.17 1.06 0.00 -1.12 -4.88 121.76 115.67 2cuh s ALA 98 Ca -0.03 1.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2cuh s ALA 98 Cb 0.07 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2cuh s ALA 98 CO 0.22 -1.32 1.94 -1.25 0.00 0.00 0.00 175.76 175.35 2cuh s PRO 99 N 3.59 2.49 -0.49 0.00 0.04 -1.26 -4.73 135.00 134.63 2cuh s PRO 99 Ca 0.77 -1.10 0.04 0.00 0.04 0.00 0.00 61.00 60.75 2cuh s PRO 99 Cb -0.38 -5.23 0.17 0.00 0.04 0.00 0.00 34.50 29.10 2cuh s PRO 99 CO 0.33 -3.96 0.37 1.03 0.04 0.00 0.00 177.00 174.81 2cuh s ARG 100 N 6.52 1.32 -1.31 4.56 0.52 -1.26 -4.87 118.95 124.43 2cuh s ARG 100 Ca 0.69 -2.38 -0.06 0.00 -0.52 0.00 0.00 55.73 53.45 2cuh s ARG 100 Cb -0.01 -2.00 0.04 0.00 0.52 0.00 0.00 34.95 33.49 2cuh s ARG 100 CO 0.12 -1.33 0.40 -0.25 0.02 0.00 0.00 175.30 174.26 2cuh n ASP 101 N 2.74 -4.36 0.05 0.23 8.00 -1.26 -4.88 116.55 117.07 2cuh n ASP 101 Ca 0.25 -0.23 -0.08 0.00 0.71 0.00 0.00 54.79 55.43 2cuh n ASP 101 Cb 0.43 -3.60 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 2cuh n ASP 101 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2cuh h LEU 102 N -0.84 -0.20-10.43 0.64 5.85 -1.89 -3.46 115.31 104.99 2cuh h LEU 102 Ca -0.42 -0.26 -0.49 0.00 0.84 0.00 0.00 57.88 57.55 2cuh h LEU 102 Cb 1.29 0.05 0.06 0.00 0.37 0.00 0.00 40.66 42.44 2cuh h LEU 102 CO 0.50 0.36 0.32 -1.61 -0.34 0.00 0.00 178.44 177.67 2cuh s GLU 103 N -2.93 3.06 -0.42 1.25 2.02 -1.26 -5.06 118.70 115.37 2cuh s GLU 103 Ca -0.10 0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.27 2cuh s GLU 103 Cb 0.00 -2.13 0.13 0.00 0.10 0.00 0.00 34.13 32.23 2cuh s GLU 103 CO 0.35 -0.79 0.21 0.00 0.02 0.00 0.00 175.26 175.05 2cuh s ALA 104 N -3.17 2.09 0.67 5.21 0.00 -1.26 -5.11 121.76 120.18 2cuh s ALA 104 Ca 0.55 -2.46 -0.12 0.00 0.00 0.00 0.00 51.96 49.93 2cuh s ALA 104 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 2cuh s ALA 104 CO 0.50 -2.00 1.06 -1.59 0.00 0.00 0.00 175.76 173.73 2cuh s LYS 105 N 0.56 3.02 -0.04 0.00 -2.85 -1.26 -5.07 119.74 114.10 2cuh s LYS 105 Ca 0.16 1.03 0.03 0.00 -1.00 0.00 0.00 55.97 56.19 2cuh s LYS 105 Cb -0.23 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.54 2cuh s LYS 105 CO -0.03 -1.04 -0.11 -1.83 0.10 0.00 0.00 175.35 172.44 2cuh s GLU 106 N -4.77 1.25 -0.05 1.78 1.03 -1.26 -5.14 118.70 111.54 2cuh s GLU 106 Ca 0.60 -0.36 0.04 0.00 0.03 0.00 0.00 54.97 55.27 2cuh s GLU 106 Cb -0.15 -1.11 0.00 0.00 -0.80 0.00 0.00 34.13 32.07 2cuh s GLU 106 CO 0.50 0.10 -0.17 0.54 -1.33 0.00 0.00 175.26 174.90 2cuh s VAL 107 N 0.34 1.42 -0.07 1.83 0.11 -1.26 -5.14 120.40 117.64 2cuh s VAL 107 Ca -0.07 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.31 2cuh s VAL 107 Cb -0.11 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2cuh s VAL 107 CO 0.01 0.41 -0.10 0.42 -3.33 0.00 0.00 175.10 172.52 2cuh s THR 108 N 0.21 3.42 0.44 5.04 -4.23 -1.26 -5.11 115.64 114.14 2cuh s THR 108 Ca -0.08 -0.58 -0.24 0.00 -1.18 0.00 0.00 61.69 59.61 2cuh s THR 108 Cb -0.13 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 2cuh s THR 108 CO 0.03 0.59 1.17 -2.16 -0.54 0.00 0.00 174.62 173.71 2cuh s PRO 109 N -0.68 3.87 -0.02 3.99 0.04 -1.26 -5.06 135.00 135.88 2cuh s PRO 109 Ca 0.10 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2cuh s PRO 109 Cb -0.11 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.93 2cuh s PRO 109 CO 0.01 -0.47 0.30 0.45 0.04 0.00 0.00 177.00 177.34 2cuh s SER 110 N -1.25 -0.19 0.00 6.66 0.15 -1.26 -5.11 113.70 112.70 2cuh s SER 110 Ca 0.61 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2cuh s SER 110 Cb -0.30 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2cuh s SER 110 CO 0.37 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2cuh n GLY 111 N 1.39 -1.90 3.77 9.45 0.00 -1.26 -5.16 105.19 111.48 2cuh n GLY 111 Ca -0.21 0.88 -0.39 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 4.17 -0.06 1.61 0.04 -1.26 -5.05 135.00 134.46 2cuh s PRO 112 Ca 0.00 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2cuh s PRO 112 Cb 0.00 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.76 2cuh s PRO 112 CO 0.00 -0.25 0.12 -1.54 0.04 0.00 0.00 177.00 175.38 2cuh s SER 113 N -0.94 0.18 -0.15 6.66 1.04 -1.26 -5.05 113.70 114.18 2cuh s SER 113 Ca 0.54 0.25 -0.23 0.00 0.48 0.00 0.00 55.95 56.98 2cuh s SER 113 Cb -0.33 0.14 -0.21 0.00 0.10 0.00 0.00 66.02 65.72 2cuh s SER 113 CO 0.43 -0.17 0.52 0.77 0.98 0.00 0.00 173.24 175.76 2cuh h SER 114 N 7.56 0.00 -0.01 7.02 4.64 -2.10 -3.58 113.55 127.08 2cuh h SER 114 Ca -0.36 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 2cuh h SER 114 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2cuh h SER 114 CO 0.36 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.97