#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuh n SER 2 N 0.00 0.03 -3.56 1.61 7.64 -1.26 -4.99 113.62 113.09 2cuh n SER 2 Ca 0.00 1.04 -0.00 0.00 1.01 0.00 0.00 58.87 60.92 2cuh n SER 2 Cb 0.00 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 61.98 2cuh n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cuh s SER 3 N -0.81 -0.97 0.00 6.43 1.04 -1.26 -5.02 113.70 113.11 2cuh s SER 3 Ca 0.62 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2cuh s SER 3 Cb -0.67 2.10 0.00 0.00 0.10 0.00 0.00 66.02 67.54 2cuh s SER 3 CO 0.58 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.23 2cuh n GLY 4 N 5.30 0.69 3.23 7.32 0.00 -1.26 -5.15 105.19 115.32 2cuh n GLY 4 Ca -0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cuh s SER 5 N -0.93 -0.38 -0.66 1.61 1.04 -1.26 -5.10 113.70 108.02 2cuh s SER 5 Ca 0.00 0.72 0.05 0.00 0.48 0.00 0.00 55.95 57.21 2cuh s SER 5 Cb 0.00 0.71 0.19 0.00 0.10 0.00 0.00 66.02 67.02 2cuh s SER 5 CO 0.00 -0.14 0.55 -1.20 0.98 0.00 0.00 173.24 173.43 2cuh n SER 6 N 3.17 2.86 0.00 7.02 7.64 -1.26 -4.89 113.62 128.17 2cuh n SER 6 Ca -0.15 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.53 2cuh n SER 6 Cb 0.57 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.73 0.69 3.31 0.23 0.00 -1.26 -5.13 105.19 104.75 2cuh n GLY 7 Ca 0.23 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2cuh n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 8 N 0.00 -3.04 -0.09 1.61 -0.04 -1.26 -5.00 135.00 127.18 2cuh n PRO 8 Ca 0.00 -1.65 0.07 0.00 -0.04 0.00 0.00 63.50 61.88 2cuh n PRO 8 Cb 0.00 -1.55 0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 -4.77 2.09 -2.19 3.54 8.00 -1.26 -5.02 116.55 116.93 2cuh n ASP 9 Ca 0.14 -2.79 -0.05 0.00 0.71 0.00 0.00 54.79 52.80 2cuh n ASP 9 Cb 0.56 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.15 4.05 3.71 0.44 0.00 -1.26 -4.83 105.19 106.14 2cuh n GLY 10 Ca 0.12 -2.12 -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 -2.27 4.32 0.33 1.61 0.04 -1.26 -4.63 135.00 133.13 2cuh s PRO 11 Ca 0.01 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 11 Cb 0.00 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2cuh s PRO 11 CO 0.01 -0.46 0.12 0.95 0.04 0.00 0.00 177.00 177.66 2cuh s THR 12 N 1.41 0.62 -1.46 1.26 -4.23 -1.26 -4.48 115.64 107.50 2cuh s THR 12 Ca 0.64 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2cuh s THR 12 Cb -0.35 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.00 2cuh s THR 12 CO 0.29 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.42 2cuh n GLN 13 N -0.68 -6.36 -1.83 3.99 1.13 -1.26 -3.02 117.38 109.35 2cuh n GLN 13 Ca -0.02 0.68 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 2cuh n GLN 13 Cb 0.65 -5.62 -0.03 0.00 0.11 0.00 0.00 30.24 25.35 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 -7.26 4.38 0.29 1.08 2.96 -1.26 -4.69 118.68 114.17 2cuh s LEU 14 Ca 0.60 2.69 0.09 0.00 -0.22 0.00 0.00 54.13 57.30 2cuh s LEU 14 Cb -0.29 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.76 2cuh s LEU 14 CO 0.79 -0.92 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.18 2cuh s ARG 15 N 1.83 1.64 -0.27 1.98 3.52 -1.10 -5.02 118.95 121.53 2cuh s ARG 15 Ca 0.75 -1.80 0.01 0.00 -0.13 0.00 0.00 55.73 54.56 2cuh s ARG 15 Cb -0.45 -1.50 0.08 0.00 -1.56 0.00 0.00 34.95 31.52 2cuh s ARG 15 CO 0.33 0.18 0.01 0.00 -0.81 0.00 0.00 175.30 175.00 2cuh s ALA 16 N -2.74 2.01 0.79 6.12 0.00 -1.26 -3.90 121.76 122.78 2cuh s ALA 16 Ca 0.29 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 2cuh s ALA 16 Cb 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 23.12 21.64 2cuh s ALA 16 CO 0.13 -1.41 1.14 -0.51 0.00 0.00 0.00 175.76 175.11 2cuh s LEU 17 N 1.37 2.64 -0.44 0.00 1.02 -1.26 -4.97 118.68 117.04 2cuh s LEU 17 Ca 0.02 0.58 -0.28 0.00 0.02 0.00 0.00 54.13 54.47 2cuh s LEU 17 Cb -0.18 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 2cuh s LEU 17 CO -0.11 -1.90 1.69 0.21 0.02 0.00 0.00 176.35 176.27 2cuh s ASN 18 N -4.60 5.85 0.85 2.29 2.47 -1.26 -4.93 114.94 115.61 2cuh s ASN 18 Ca 0.63 0.85 -0.12 0.00 0.42 0.00 0.00 52.86 54.64 2cuh s ASN 18 Cb -0.10 -2.53 0.13 0.00 -1.45 0.00 0.00 41.25 37.30 2cuh s ASN 18 CO 0.48 -1.82 1.19 -1.48 -3.72 0.00 0.00 177.10 171.75 2cuh s LEU 19 N 7.06 2.70 -0.10 3.21 -0.00 -1.26 -4.91 118.68 125.39 2cuh s LEU 19 Ca 0.70 0.38 -0.05 0.00 -0.00 0.00 0.00 54.13 55.16 2cuh s LEU 19 Cb -0.17 -2.69 -0.20 0.00 -0.00 0.00 0.00 46.19 43.13 2cuh s LEU 19 CO 0.29 -2.20 2.91 1.07 -0.00 0.00 0.00 176.35 178.42 2cuh n THR 20 N -3.39 2.42 -3.52 5.48 5.66 -1.25 -4.67 114.28 115.02 2cuh n THR 20 Ca 0.12 -1.23 -0.27 0.00 -3.05 0.00 0.00 64.05 59.61 2cuh n THR 20 Cb 0.60 -1.93 -0.05 0.00 -1.55 0.00 0.00 70.33 67.40 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 2.71 -0.83 0.13 1.09 0.00 -1.26 -4.17 120.64 118.30 2cuh n GLU 21 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.60 2cuh n GLU 21 Cb 0.68 -2.98 0.00 0.00 0.00 0.00 0.00 31.44 29.14 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 -1.03 -1.35 3.12 -1.84 0.00 -1.26 -4.17 105.19 98.66 2cuh n GLY 22 Ca 0.04 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 2.74 0.19 1.61 -0.12 -1.26 -4.33 117.98 114.81 2cuh s PHE 23 Ca 0.00 -1.60 0.04 0.00 -0.05 0.00 0.00 56.93 55.32 2cuh s PHE 23 Cb 0.00 -1.89 -0.03 0.00 -0.63 0.00 0.00 43.02 40.46 2cuh s PHE 23 CO 0.00 -0.78 0.31 0.00 -0.05 0.00 0.00 175.22 174.70 2cuh s ALA 24 N 1.25 3.94 0.06 1.99 0.00 -1.18 -3.81 121.76 124.01 2cuh s ALA 24 Ca 0.04 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.95 2cuh s ALA 24 Cb -0.13 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2cuh s ALA 24 CO -0.12 0.41 -0.21 0.14 0.00 0.00 0.00 175.76 175.98 2cuh s VAL 25 N -1.85 1.68 -0.41 0.00 -7.23 -1.26 -0.61 120.40 110.72 2cuh s VAL 25 Ca 0.34 -1.28 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 2cuh s VAL 25 Cb -0.10 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.38 2cuh s VAL 25 CO 0.29 0.14 0.65 -0.76 -0.31 0.00 0.00 175.10 175.10 2cuh s LEU 26 N -1.36 4.39 -0.28 1.32 1.43 -1.04 -4.76 118.68 118.39 2cuh s LEU 26 Ca 0.07 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2cuh s LEU 26 Cb -0.09 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2cuh s LEU 26 CO 0.02 -0.71 0.15 -1.00 0.23 0.00 0.00 176.35 175.04 2cuh s HIS 27 N 2.80 3.17 0.12 0.29 3.76 -1.25 -2.78 115.29 121.40 2cuh s HIS 27 Ca 0.24 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 2cuh s HIS 27 Cb -0.14 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 2cuh s HIS 27 CO 0.18 -0.29 -0.14 1.67 -0.85 0.00 0.00 174.74 175.31 2cuh s TRP 28 N 1.69 1.39 -0.21 1.40 -2.14 -1.25 -2.71 118.94 117.10 2cuh s TRP 28 Ca 0.06 -0.54 -0.22 0.00 2.66 0.00 0.00 56.10 58.06 2cuh s TRP 28 Cb -0.16 -0.73 -0.02 0.00 -3.10 0.00 0.00 33.47 29.46 2cuh s TRP 28 CO 0.08 0.14 0.68 0.21 -2.66 0.00 0.00 176.95 175.40 2cuh s LYS 29 N -2.55 4.20 -0.12 3.25 2.20 -1.17 -4.84 119.74 120.72 2cuh s LYS 29 Ca 0.08 0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 2cuh s LYS 29 Cb -0.06 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2cuh s LYS 29 CO 0.03 -0.31 1.55 -1.25 -0.36 0.00 0.00 175.35 175.00 2cuh s PRO 30 N 2.15 4.10 0.83 4.03 0.04 -1.26 -4.01 135.00 140.89 2cuh s PRO 30 Ca 0.30 1.93 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 2cuh s PRO 30 Cb -0.16 -3.94 0.09 0.00 0.04 0.00 0.00 34.50 30.53 2cuh s PRO 30 CO 0.10 -0.91 1.09 -1.25 0.04 0.00 0.00 177.00 176.07 2cuh s PRO 31 N 4.05 1.76 0.25 0.56 0.04 -1.26 -4.93 135.00 135.46 2cuh s PRO 31 Ca 0.68 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 2cuh s PRO 31 Cb -0.28 -1.85 0.47 0.00 0.04 0.00 0.00 34.50 32.87 2cuh s PRO 31 CO 0.26 -1.94 1.66 0.37 0.04 0.00 0.00 177.00 177.38 2cuh h GLN 32 N -1.34 0.17 -5.90 4.56 4.15 -1.95 -3.36 115.11 111.45 2cuh h GLN 32 Ca -0.46 -0.01 -0.60 0.00 0.77 0.00 0.00 58.65 58.34 2cuh h GLN 32 Cb 1.26 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.81 2cuh h GLN 32 CO 0.53 0.11 0.46 0.54 -1.93 0.00 0.00 178.83 178.55 2cuh s ASN 33 N -5.20 6.62 -0.15 -0.69 4.22 -1.26 -5.01 114.94 113.47 2cuh s ASN 33 Ca -0.13 0.49 -0.29 0.00 -2.14 0.00 0.00 52.86 50.79 2cuh s ASN 33 Cb 0.22 -2.42 -0.03 0.00 1.28 0.00 0.00 41.25 40.29 2cuh s ASN 33 CO 0.76 -0.76 1.56 -2.16 -2.04 0.00 0.00 177.10 174.45 2cuh s PRO 34 N 3.22 4.01 0.76 3.55 0.04 -1.26 -4.99 135.00 140.33 2cuh s PRO 34 Ca 0.34 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 2cuh s PRO 34 Cb -0.13 -3.97 0.19 0.00 0.04 0.00 0.00 34.50 30.63 2cuh s PRO 34 CO 0.17 -1.03 0.73 1.33 0.04 0.00 0.00 177.00 178.24 2cuh n VAL 35 N 5.89 0.00 -0.09 -0.36 0.24 -1.26 -5.05 118.33 117.70 2cuh n VAL 35 Ca 0.17 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.95 2cuh n VAL 35 Cb 0.44 -1.25 -0.05 0.00 -1.47 0.00 0.00 33.84 31.52 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 -4.08 1.72 -3.82 -1.34 2.03 -1.17 -4.26 116.55 105.63 2cuh n ASP 36 Ca 0.10 0.29 -0.14 0.00 0.52 0.00 0.00 54.79 55.56 2cuh n ASP 36 Cb 0.37 -0.67 -0.15 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.60 -0.01 -0.18 5.18 -4.23 -1.25 0.20 115.64 112.75 2cuh s THR 37 Ca -0.28 0.10 -0.17 0.00 -1.18 0.00 0.00 61.69 60.17 2cuh s THR 37 Cb 0.07 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.81 2cuh s THR 37 CO 0.38 0.05 0.42 -0.31 -0.54 0.00 0.00 174.62 174.62 2cuh s TYR 38 N 0.55 3.42 -0.22 3.99 2.02 0.12 -1.46 117.35 125.77 2cuh s TYR 38 Ca -0.05 0.70 -0.15 0.00 -0.37 0.00 0.00 57.07 57.20 2cuh s TYR 38 Cb -0.07 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 2cuh s TYR 38 CO -0.01 0.05 0.38 0.34 -1.57 0.00 0.00 175.55 174.74 2cuh s ASP 39 N 0.89 6.38 -0.02 2.29 2.15 -0.34 -2.54 116.67 125.48 2cuh s ASP 39 Ca 0.21 0.45 0.06 0.00 0.43 0.00 0.00 52.55 53.70 2cuh s ASP 39 Cb -0.15 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2cuh s ASP 39 CO 0.08 -0.09 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.15 2cuh s ILE 40 N 1.46 1.67 -0.15 4.11 1.09 -1.21 0.34 121.20 128.51 2cuh s ILE 40 Ca 0.18 -0.89 -0.02 0.00 -1.10 0.00 0.00 60.65 58.82 2cuh s ILE 40 Cb -0.15 -1.39 0.05 0.00 -1.06 0.00 0.00 42.46 39.91 2cuh s ILE 40 CO 0.08 0.47 0.00 -1.58 -0.10 0.00 0.00 174.94 173.81 2cuh s GLN 41 N -0.41 0.86 -0.33 2.79 0.74 -0.85 -3.79 119.66 118.66 2cuh s GLN 41 Ca 0.06 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 2cuh s GLN 41 Cb -0.09 -1.78 0.07 0.00 1.10 0.00 0.00 33.01 32.31 2cuh s GLN 41 CO -0.00 -0.49 0.06 0.08 -0.55 0.00 0.00 175.29 174.39 2cuh s VAL 42 N 1.83 3.13 0.14 1.34 1.01 -1.11 -1.68 120.40 125.05 2cuh s VAL 42 Ca 0.01 -1.55 0.06 0.00 0.00 0.00 0.00 61.98 60.50 2cuh s VAL 42 Cb -0.15 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2cuh s VAL 42 CO -0.07 -0.28 -0.14 0.42 0.00 0.00 0.00 175.10 175.03 2cuh s THR 43 N 1.23 1.43 0.15 3.92 -4.23 -1.03 -0.95 115.64 116.16 2cuh s THR 43 Ca -0.01 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 58.55 2cuh s THR 43 Cb -0.20 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2cuh s THR 43 CO -0.02 -0.44 0.36 0.00 -0.54 0.00 0.00 174.62 173.98 2cuh s ALA 44 N -2.28 -0.54 -0.76 3.99 0.00 -1.26 -2.24 121.76 118.67 2cuh s ALA 44 Ca 0.12 -0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 2cuh s ALA 44 Cb -0.04 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2cuh s ALA 44 CO 0.04 -0.66 1.91 -1.25 0.00 0.00 0.00 175.76 175.79 2cuh s PRO 45 N -3.88 2.59 0.00 0.00 0.04 -1.26 -2.89 135.00 129.60 2cuh s PRO 45 Ca 0.09 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2cuh s PRO 45 Cb 0.02 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.84 2cuh s PRO 45 CO -0.06 -3.06 0.00 0.41 0.04 0.00 0.00 177.00 174.33 2cuh n GLY 46 N 6.28 2.35 3.83 0.56 0.00 -1.26 -5.08 105.19 111.86 2cuh n GLY 46 Ca 0.30 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.78 2.91 0.74 4.61 0.00 -1.14 -5.04 121.76 123.06 2cuh s ALA 47 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 2cuh s ALA 47 Cb 0.00 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 20.01 2cuh s ALA 47 CO 0.00 -0.70 1.10 -1.25 0.00 0.00 0.00 175.76 174.90 2cuh s PRO 48 N -4.55 2.38 0.20 0.00 0.04 -1.26 -4.39 135.00 127.43 2cuh s PRO 48 Ca 0.59 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2cuh s PRO 48 Cb -0.13 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2cuh s PRO 48 CO 0.43 -1.55 1.30 -1.25 0.04 0.00 0.00 177.00 175.97 2cuh s PRO 49 N -4.69 4.39 -0.29 0.56 0.04 -1.26 -4.62 135.00 129.13 2cuh s PRO 49 Ca 0.63 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2cuh s PRO 49 Cb -0.18 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2cuh s PRO 49 CO 0.52 -0.24 0.16 -1.17 0.04 0.00 0.00 177.00 176.31 2cuh s LEU 50 N -0.12 4.00 -0.14 -3.56 1.98 -0.13 -5.01 118.68 115.70 2cuh s LEU 50 Ca 0.56 -0.28 0.00 0.00 -2.89 0.00 0.00 54.13 51.52 2cuh s LEU 50 Cb -0.36 -2.04 0.02 0.00 0.66 0.00 0.00 46.19 44.47 2cuh s LEU 50 CO 0.38 -0.12 -0.12 -1.58 -1.89 0.00 0.00 176.35 173.02 2cuh s GLN 51 N 1.68 2.05 0.15 1.98 0.74 -1.26 -2.77 119.66 122.22 2cuh s GLN 51 Ca 0.06 -0.48 -0.20 0.00 0.05 0.00 0.00 55.36 54.79 2cuh s GLN 51 Cb -0.16 -1.97 0.06 0.00 1.10 0.00 0.00 33.01 32.03 2cuh s GLN 51 CO 0.08 -0.26 0.52 0.00 -0.55 0.00 0.00 175.29 175.08 2cuh s ALA 52 N 1.55 -1.33 0.12 1.58 0.00 -1.25 -5.11 121.76 117.33 2cuh s ALA 52 Ca 0.05 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2cuh s ALA 52 Cb -0.13 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2cuh s ALA 52 CO -0.10 -0.73 -0.02 -2.00 0.00 0.00 0.00 175.76 172.92 2cuh s GLU 53 N -3.78 0.91 0.01 0.00 2.12 -1.26 -3.29 118.70 113.41 2cuh s GLU 53 Ca 0.02 -1.40 -0.10 0.00 0.36 0.00 0.00 54.97 53.84 2cuh s GLU 53 Cb 0.00 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.31 2cuh s GLU 53 CO -0.12 -0.11 0.21 -0.08 -0.54 0.00 0.00 175.26 174.62 2cuh s THR 54 N -3.75 0.08 0.67 -1.70 -1.32 -1.05 -4.98 115.64 103.59 2cuh s THR 54 Ca 0.17 -0.68 -0.15 0.00 -1.21 0.00 0.00 61.69 59.83 2cuh s THR 54 Cb 0.06 -0.64 0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2cuh s THR 54 CO -0.01 -0.37 1.11 -2.16 -2.21 0.00 0.00 174.62 170.97 2cuh s PRO 55 N -1.73 2.74 0.48 7.08 0.04 -1.26 0.13 135.00 142.48 2cuh s PRO 55 Ca -0.11 1.38 0.32 0.00 0.04 0.00 0.00 61.00 62.63 2cuh s PRO 55 Cb -0.05 -1.94 1.71 0.00 0.04 0.00 0.00 34.50 34.26 2cuh s PRO 55 CO 0.01 -1.30 1.99 0.78 0.04 0.00 0.00 177.00 178.52 2cuh h GLY 56 N -0.08 0.00 -2.35 0.56 0.00 0.21 -2.21 103.07 99.20 2cuh h GLY 56 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2cuh h GLY 56 CO 0.54 0.00 0.13 -1.26 0.00 0.00 0.00 176.54 175.95 2cuh n SER 57 N -2.66 3.05 -3.94 0.19 2.88 -1.26 -4.72 113.62 107.16 2cuh n SER 57 Ca -0.02 -2.34 -0.20 0.00 -1.33 0.00 0.00 58.87 54.98 2cuh n SER 57 Cb 0.08 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 62.81 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 -0.80 0.75 -0.18 -1.46 0.00 -0.83 -5.02 121.76 114.21 2cuh s ALA 58 Ca 0.13 -0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.06 2cuh s ALA 58 Cb 0.11 -0.36 0.42 0.00 0.00 0.00 0.00 23.12 23.28 2cuh s ALA 58 CO 0.03 0.06 1.29 1.33 0.00 0.00 0.00 175.76 178.47 2cuh n VAL 59 N 3.66 2.16 -3.65 0.00 0.24 -1.26 -4.97 118.33 114.51 2cuh n VAL 59 Ca -0.22 -2.35 -0.02 0.00 -2.04 0.00 0.00 64.34 59.71 2cuh n VAL 59 Cb 0.53 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.58 -0.41 -0.37 -1.34 -4.77 -1.26 -3.85 116.67 102.09 2cuh s ASP 60 Ca 0.38 0.67 0.02 0.00 -3.30 0.00 0.00 52.55 50.31 2cuh s ASP 60 Cb 0.33 1.11 0.11 0.00 -1.09 0.00 0.00 42.92 43.38 2cuh s ASP 60 CO 0.03 -0.11 0.14 -0.47 0.70 0.00 0.00 175.17 175.46 2cuh s TYR 61 N 1.14 2.39 -0.26 2.11 5.04 -1.12 -4.96 117.35 121.69 2cuh s TYR 61 Ca -0.07 -2.35 -0.29 0.00 -2.44 0.00 0.00 57.07 51.92 2cuh s TYR 61 Cb -0.04 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 2cuh s TYR 61 CO -0.13 -0.86 1.64 -1.25 -1.34 0.00 0.00 175.55 173.61 2cuh s PRO 62 N 0.94 3.66 -0.27 4.97 0.04 -1.26 -2.49 135.00 140.60 2cuh s PRO 62 Ca 0.13 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 2cuh s PRO 62 Cb -0.20 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 2cuh s PRO 62 CO -0.12 -1.45 0.49 -0.51 0.04 0.00 0.00 177.00 175.45 2cuh s LEU 63 N 5.63 4.07 0.38 -3.56 1.43 0.22 -4.96 118.68 121.90 2cuh s LEU 63 Ca 0.73 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 2cuh s LEU 63 Cb -0.23 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 2cuh s LEU 63 CO 0.31 -0.29 0.34 -1.38 0.23 0.00 0.00 176.35 175.57 2cuh s HIS 64 N 2.28 2.79 -0.42 0.29 -3.43 -1.26 -3.10 115.29 112.43 2cuh s HIS 64 Ca 0.20 -0.41 -0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2cuh s HIS 64 Cb -0.16 -2.02 -0.00 0.00 -1.43 0.00 0.00 32.58 28.97 2cuh s HIS 64 CO 0.10 -0.00 0.35 -3.47 -2.00 0.00 0.00 174.74 169.72 2cuh n ASP 65 N -1.48 -2.20 -4.28 7.38 2.03 -1.26 -5.04 116.55 111.69 2cuh n ASP 65 Ca 0.01 -0.22 -0.34 0.00 0.52 0.00 0.00 54.79 54.76 2cuh n ASP 65 Cb 0.61 -2.15 -0.15 0.00 -0.72 0.00 0.00 41.12 38.72 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 -3.58 2.67 0.17 -2.67 1.43 -1.26 -5.08 118.68 110.35 2cuh s LEU 66 Ca 0.02 -0.44 -0.34 0.00 -1.03 0.00 0.00 54.13 52.35 2cuh s LEU 66 Cb -0.00 -1.65 -0.14 0.00 0.03 0.00 0.00 46.19 44.44 2cuh s LEU 66 CO 0.26 0.03 1.60 0.52 0.23 0.00 0.00 176.35 178.99 2cuh n VAL 67 N 4.43 0.00 -1.43 -1.59 0.31 -1.26 -4.89 118.33 113.90 2cuh n VAL 67 Ca -0.19 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.84 2cuh n VAL 67 Cb 0.51 -1.60 0.09 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.94 2.68 -1.28 7.52 2.01 -1.26 -4.03 118.68 125.26 2cuh s LEU 68 Ca 0.78 1.49 -0.06 0.00 0.01 0.00 0.00 54.13 56.35 2cuh s LEU 68 Cb -0.66 -4.12 -0.01 0.00 0.01 0.00 0.00 46.19 41.42 2cuh s LEU 68 CO 0.37 -2.04 0.64 1.41 1.01 0.00 0.00 176.35 177.74 2cuh n HIS 69 N -3.50 -1.84 -3.65 0.29 8.25 -0.96 -4.98 115.22 108.82 2cuh n HIS 69 Ca 0.07 0.70 -0.14 0.00 -0.26 0.00 0.00 57.72 58.09 2cuh n HIS 69 Cb 0.55 -3.91 -0.08 0.00 1.12 0.00 0.00 29.99 27.68 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 -3.70 0.00 -0.44 1.59 2.01 -1.26 -5.04 115.64 108.81 2cuh s THR 70 Ca 0.15 -0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 2cuh s THR 70 Cb -0.05 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.63 2cuh s THR 70 CO 0.85 -0.02 0.94 0.20 -0.69 0.00 0.00 174.62 175.90 2cuh s ASN 71 N -0.02 6.56 -0.17 3.53 -0.87 -1.26 -3.80 114.94 118.90 2cuh s ASN 71 Ca -0.03 0.27 -0.06 0.00 -1.57 0.00 0.00 52.86 51.48 2cuh s ASN 71 Cb -0.04 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 2cuh s ASN 71 CO 0.03 -1.01 0.03 -0.31 -2.57 0.00 0.00 177.10 173.27 2cuh s TYR 72 N 3.72 3.18 -0.27 2.20 1.51 -1.25 -4.62 117.35 121.83 2cuh s TYR 72 Ca 0.38 -0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 56.33 2cuh s TYR 72 Cb -0.10 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2cuh s TYR 72 CO 0.25 0.13 0.12 0.99 -1.11 0.00 0.00 175.55 175.92 2cuh s THR 73 N 0.26 4.68 0.07 -0.71 2.01 -0.95 -3.86 115.64 117.13 2cuh s THR 73 Ca 0.02 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2cuh s THR 73 Cb -0.13 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2cuh s THR 73 CO 0.01 0.28 -0.06 0.00 -0.69 0.00 0.00 174.62 174.16 2cuh s ALA 74 N 1.66 3.07 -0.17 7.40 0.00 -1.22 -2.45 121.76 130.04 2cuh s ALA 74 Ca 0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2cuh s ALA 74 Cb -0.16 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 21.97 2cuh s ALA 74 CO 0.06 0.65 0.04 0.99 0.00 0.00 0.00 175.76 177.51 2cuh s THR 75 N -1.17 0.38 -0.08 0.00 2.01 -0.68 -2.60 115.64 113.51 2cuh s THR 75 Ca 0.21 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2cuh s THR 75 Cb -0.11 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2cuh s THR 75 CO 0.13 -0.17 0.29 -0.69 -0.69 0.00 0.00 174.62 173.49 2cuh s VAL 76 N 1.93 5.25 0.19 3.82 1.01 0.71 -2.01 120.40 131.30 2cuh s VAL 76 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2cuh s VAL 76 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2cuh s VAL 76 CO -0.08 0.54 0.05 -0.13 0.00 0.00 0.00 175.10 175.48 2cuh s ARG 77 N -0.66 1.15 -0.13 2.72 0.52 0.15 -0.03 118.95 122.68 2cuh s ARG 77 Ca 0.19 -1.58 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 2cuh s ARG 77 Cb -0.14 -0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.24 2cuh s ARG 77 CO 0.08 -0.22 -0.21 0.20 0.02 0.00 0.00 175.30 175.17 2cuh s GLY 78 N -3.18 1.29 -0.53 -3.53 0.00 -1.26 -1.20 107.32 98.90 2cuh s GLY 78 Ca 0.29 -1.01 -0.21 0.00 0.00 0.00 0.00 44.72 43.79 2cuh s GLY 78 CO 0.07 0.00 0.74 1.08 0.00 0.00 0.00 173.10 174.99 2cuh s LEU 79 N 0.81 4.72 -0.43 0.66 2.01 -0.54 -1.32 118.68 124.60 2cuh s LEU 79 Ca -0.08 -0.80 0.03 0.00 0.01 0.00 0.00 54.13 53.29 2cuh s LEU 79 Cb -0.16 -2.54 0.12 0.00 0.01 0.00 0.00 46.19 43.62 2cuh s LEU 79 CO -0.01 -1.04 0.17 -0.13 1.01 0.00 0.00 176.35 176.35 2cuh s ARG 80 N 3.09 1.61 3.48 1.70 0.52 -1.17 -3.07 118.95 125.12 2cuh s ARG 80 Ca 0.19 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.25 2cuh s ARG 80 Cb -0.18 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2cuh s ARG 80 CO 0.13 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 174.82 2cuh n GLY 81 N 3.72 0.62 0.00 -3.53 0.00 -1.26 -2.64 105.19 102.10 2cuh n GLY 81 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.33 2cuh n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 82 N 0.00 0.49 -4.68 1.61 -0.04 -1.26 -4.74 135.00 126.38 2cuh n PRO 82 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2cuh n PRO 82 Cb 0.00 -1.32 -0.08 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 4.08 0.27 3.54 0.01 -1.08 -5.16 114.94 114.77 2cuh s ASN 83 Ca 0.15 -1.55 0.08 0.00 -0.71 0.00 0.00 52.86 50.82 2cuh s ASN 83 Cb 0.07 0.24 -0.05 0.00 0.41 0.00 0.00 41.25 41.91 2cuh s ASN 83 CO 0.11 -0.74 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.10 2cuh s LEU 84 N -3.84 2.54 0.55 0.60 1.43 -1.26 -3.02 118.68 115.67 2cuh s LEU 84 Ca 0.15 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.20 2cuh s LEU 84 Cb 0.04 -0.73 0.06 0.00 0.03 0.00 0.00 46.19 45.59 2cuh s LEU 84 CO 0.08 -0.25 0.65 0.42 0.23 0.00 0.00 176.35 177.49 2cuh s THR 85 N -2.91 2.10 -0.08 5.49 -4.23 -0.43 -4.89 115.64 110.69 2cuh s THR 85 Ca 0.28 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 2cuh s THR 85 Cb 0.02 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 2cuh s THR 85 CO 0.11 0.00 1.49 -0.94 -0.54 0.00 0.00 174.62 174.74 2cuh s SER 86 N -4.52 6.79 0.66 3.99 1.04 -1.26 -4.56 113.70 115.84 2cuh s SER 86 Ca 0.53 2.04 -0.15 0.00 0.48 0.00 0.00 55.95 58.86 2cuh s SER 86 Cb -0.05 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2cuh s SER 86 CO 0.33 -0.84 1.11 -2.16 0.98 0.00 0.00 173.24 172.66 2cuh s PRO 87 N 3.57 2.79 -0.10 4.02 0.04 -1.26 -4.27 135.00 139.79 2cuh s PRO 87 Ca 0.66 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2cuh s PRO 87 Cb -0.29 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2cuh s PRO 87 CO 0.24 -1.25 0.08 0.00 0.04 0.00 0.00 177.00 176.11 2cuh s ALA 88 N -2.36 0.27 0.27 8.56 0.00 0.96 -4.97 121.76 124.50 2cuh s ALA 88 Ca 0.67 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.75 2cuh s ALA 88 Cb -0.20 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2cuh s ALA 88 CO 0.42 -0.79 -0.09 0.45 0.00 0.00 0.00 175.76 175.75 2cuh s SER 89 N 2.17 4.15 0.15 0.00 0.15 -1.26 -0.21 113.70 118.86 2cuh s SER 89 Ca 0.04 -0.79 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 2cuh s SER 89 Cb -0.14 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.60 2cuh s SER 89 CO -0.06 0.02 0.51 -0.51 1.20 0.00 0.00 173.24 174.41 2cuh s ILE 90 N -2.35 0.03 -0.19 6.45 2.07 -1.07 -5.00 121.20 121.14 2cuh s ILE 90 Ca 0.30 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 2cuh s ILE 90 Cb -0.06 -1.13 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 2cuh s ILE 90 CO 0.18 -0.14 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.10 2cuh s THR 91 N -3.79 3.22 -0.06 4.00 2.01 -1.26 -3.39 115.64 116.37 2cuh s THR 91 Ca 0.03 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2cuh s THR 91 Cb 0.00 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 70.12 2cuh s THR 91 CO -0.11 0.46 0.12 0.72 -0.69 0.00 0.00 174.62 175.11 2cuh s PHE 92 N 1.12 -0.10 0.23 4.92 -0.12 -1.25 -5.04 117.98 117.74 2cuh s PHE 92 Ca 0.01 0.42 -0.24 0.00 -0.05 0.00 0.00 56.93 57.07 2cuh s PHE 92 Cb -0.15 -0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 41.95 2cuh s PHE 92 CO -0.02 -0.18 0.82 0.99 -0.05 0.00 0.00 175.22 176.78 2cuh s THR 93 N 1.57 4.36 -0.19 -4.49 2.01 -1.26 -3.96 115.64 113.69 2cuh s THR 93 Ca -0.04 1.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.41 2cuh s THR 93 Cb -0.12 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 2cuh s THR 93 CO -0.05 0.32 0.51 0.42 -0.69 0.00 0.00 174.62 175.13 2cuh s THR 94 N -1.40 5.12 0.00 -0.82 -4.23 -1.25 -4.78 115.64 108.29 2cuh s THR 94 Ca 0.42 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 2cuh s THR 94 Cb -0.20 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2cuh s THR 94 CO 0.24 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2cuh n GLY 95 N 3.78 1.12 3.62 3.99 0.00 -1.26 -2.26 105.19 114.18 2cuh n GLY 95 Ca -0.05 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -0.58 0.24 0.99 -0.00 -1.26 -4.23 117.00 112.16 2cuh n LEU 96 Ca 0.00 -0.86 0.12 0.00 -0.00 0.00 0.00 56.01 55.27 2cuh n LEU 96 Cb 0.00 -1.10 0.65 0.00 -0.00 0.00 0.00 43.42 42.97 2cuh n LEU 96 CO 0.00 0.11 0.96 1.05 -0.00 0.00 0.00 177.39 179.50 2cuh h GLU 97 N -0.65 0.00 -2.94 1.47 9.09 -1.93 -3.17 114.58 116.45 2cuh h GLU 97 Ca -0.42 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.38 2cuh h GLU 97 Cb 0.96 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 27.65 2cuh h GLU 97 CO 0.60 0.00 -0.70 0.00 0.05 0.00 0.00 179.01 178.95 2cuh s ALA 98 N -3.71 2.85 -1.99 1.06 0.00 -1.26 -4.93 121.76 113.77 2cuh s ALA 98 Ca -0.03 -3.19 0.16 0.00 0.00 0.00 0.00 51.96 48.90 2cuh s ALA 98 Cb 0.07 -1.98 0.93 0.00 0.00 0.00 0.00 23.12 22.14 2cuh s ALA 98 CO 0.22 -2.05 1.35 -0.35 0.00 0.00 0.00 175.76 174.92 2cuh n PRO 99 N 2.66 0.49 0.06 0.00 -0.04 -1.20 -3.49 135.00 133.47 2cuh n PRO 99 Ca 0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2cuh n PRO 99 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 2cuh n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cuh h ARG 100 N 0.00 -0.21 -0.46 0.54 2.47 -1.91 -3.48 114.38 111.33 2cuh h ARG 100 Ca 0.00 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 58.96 2cuh h ARG 100 Cb 0.00 0.05 -0.24 0.00 -1.65 0.00 0.00 29.97 28.13 2cuh h ARG 100 CO 0.00 -0.14 0.30 0.34 0.56 0.00 0.00 179.97 181.03 2cuh s ASP 101 N -4.47 -0.35 0.16 7.04 -1.08 -1.23 -5.15 116.67 111.59 2cuh s ASP 101 Ca -0.03 0.37 -0.30 0.00 -0.52 0.00 0.00 52.55 52.07 2cuh s ASP 101 Cb 0.00 1.35 -0.07 0.00 -1.46 0.00 0.00 42.92 42.75 2cuh s ASP 101 CO 0.10 -0.07 0.96 -0.76 0.52 0.00 0.00 175.17 175.92 2cuh s LEU 102 N 2.51 4.55 -0.58 -1.34 1.43 -1.26 -3.82 118.68 120.17 2cuh s LEU 102 Ca -0.02 1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2cuh s LEU 102 Cb -0.06 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2cuh s LEU 102 CO -0.14 0.01 0.50 1.21 0.23 0.00 0.00 176.35 178.15 2cuh n GLU 103 N 2.27 -3.31 -1.00 1.70 4.07 -1.26 -4.91 120.64 118.20 2cuh n GLU 103 Ca 0.01 0.38 -0.34 0.00 -0.06 0.00 0.00 57.16 57.15 2cuh n GLU 103 Cb 0.48 -4.04 -0.02 0.00 -0.06 0.00 0.00 31.44 27.80 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cuh n ALA 104 N -2.97 -2.39 -1.18 4.31 0.00 -1.25 -4.75 120.51 112.29 2cuh n ALA 104 Ca -0.07 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 2cuh n ALA 104 Cb 0.56 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.89 2cuh n ALA 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cuh n LYS 105 N 0.76 0.08 -3.82 0.00 5.02 -1.26 -5.00 118.16 113.94 2cuh n LYS 105 Ca 0.12 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2cuh n LYS 105 Cb 0.20 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 2cuh n LYS 105 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2cuh s GLU 106 N -1.77 2.15 0.20 1.97 2.12 -1.26 -5.14 118.70 116.97 2cuh s GLU 106 Ca 0.54 -1.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.30 2cuh s GLU 106 Cb -0.37 0.61 -0.13 0.00 0.26 0.00 0.00 34.13 34.50 2cuh s GLU 106 CO 0.69 -1.00 0.33 1.33 -0.54 0.00 0.00 175.26 176.07 2cuh n VAL 107 N -0.54 1.34 -3.63 3.70 0.24 -1.26 -4.97 118.33 113.21 2cuh n VAL 107 Ca -0.08 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 61.75 2cuh n VAL 107 Cb 0.60 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 2cuh n VAL 107 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2cuh s THR 108 N -0.94 0.00 0.00 3.34 -1.32 -1.26 -5.18 115.64 110.28 2cuh s THR 108 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2cuh s THR 108 Cb -0.69 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2cuh s THR 108 CO 0.46 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 172.06 2cuh n PRO 109 N 1.84 -0.55 -1.36 7.08 -0.04 -1.26 -4.79 135.00 135.92 2cuh n PRO 109 Ca -0.11 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.78 2cuh n PRO 109 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 2cuh n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cuh n SER 110 N -2.28 0.90 -4.37 3.54 2.88 -1.26 -4.73 113.62 108.30 2cuh n SER 110 Ca 0.00 0.86 -0.44 0.00 -1.33 0.00 0.00 58.87 57.97 2cuh n SER 110 Cb 0.00 -0.78 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 2cuh n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cuh n GLY 111 N 4.78 -2.13 0.49 0.46 0.00 -1.26 -4.95 105.19 102.58 2cuh n GLY 111 Ca 0.36 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 1.07 -1.32 -2.90 1.61 -0.04 -1.26 -4.98 135.00 127.19 2cuh n PRO 112 Ca 0.13 -0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 2cuh n PRO 112 Cb 0.35 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.54 2cuh n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cuh s SER 113 N -1.92 7.06 0.42 3.54 0.01 -1.26 -5.06 113.70 116.49 2cuh s SER 113 Ca 0.10 1.30 0.03 0.00 1.31 0.00 0.00 55.95 58.68 2cuh s SER 113 Cb -0.01 -2.47 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cuh s SER 113 CO 0.08 -0.28 0.61 -0.44 0.41 0.00 0.00 173.24 173.62 2cuh s SER 114 N 1.00 5.83 0.00 2.44 0.01 -1.26 -5.35 113.70 116.38 2cuh s SER 114 Ca 0.41 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2cuh s SER 114 Cb -0.18 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2cuh s SER 114 CO 0.18 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.79