#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dx5 s LEU 11 N 0.00 2.35 0.87 2.23 1.02 -1.26 -5.12 118.68 118.77 2dx5 s LEU 11 Ca 0.00 -0.42 -0.13 0.00 0.02 0.00 0.00 54.13 53.60 2dx5 s LEU 11 Cb 0.00 -1.42 0.14 0.00 0.02 0.00 0.00 46.19 44.93 2dx5 s LEU 11 CO 0.00 0.30 1.22 -1.61 0.02 0.00 0.00 176.35 176.28 2dx5 s GLU 12 N -0.94 1.36 0.51 1.70 0.41 -1.26 -4.99 118.70 115.48 2dx5 s GLU 12 Ca 0.12 -0.22 -0.21 0.00 -0.41 0.00 0.00 54.97 54.25 2dx5 s GLU 12 Cb -0.10 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.24 2dx5 s GLU 12 CO 0.01 -1.94 1.13 0.42 -0.49 0.00 0.00 175.26 174.39 2dx5 s ILE 13 N -3.67 3.23 0.00 -1.63 1.01 -1.26 -2.37 121.20 116.51 2dx5 s ILE 13 Ca 0.68 0.81 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2dx5 s ILE 13 Cb -0.07 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2dx5 s ILE 13 CO 0.50 -0.12 0.00 0.59 0.00 0.00 0.00 174.94 175.91 2dx5 n ASN 14 N -1.01 -2.14 -4.57 3.58 3.02 -1.26 -4.94 115.26 107.94 2dx5 n ASN 14 Ca 0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.31 2dx5 n ASN 14 Cb 0.50 -2.38 -0.11 0.00 -0.61 0.00 0.00 39.78 37.19 2dx5 n ASN 14 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2dx5 s GLU 15 N -1.13 3.56 0.14 3.52 2.12 -1.00 -4.97 118.70 120.95 2dx5 s GLU 15 Ca 0.00 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 54.92 2dx5 s GLU 15 Cb 0.00 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2dx5 s GLU 15 CO 0.00 0.36 -0.11 0.95 -0.54 0.00 0.00 175.26 175.92 2dx5 s THR 16 N 0.06 1.21 0.46 -1.70 -4.23 -1.26 -4.64 115.64 105.54 2dx5 s THR 16 Ca 0.01 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 2dx5 s THR 16 Cb -0.13 -1.78 -0.09 0.00 1.34 0.00 0.00 72.50 71.84 2dx5 s THR 16 CO 0.02 -0.68 1.03 -0.22 -0.54 0.00 0.00 174.62 174.23 2dx5 s LEU 17 N -3.02 3.92 0.03 4.79 0.20 -1.26 -1.28 118.68 122.06 2dx5 s LEU 17 Ca 0.15 1.92 -0.03 0.00 0.69 0.00 0.00 54.13 56.86 2dx5 s LEU 17 Cb 0.01 -4.48 -0.01 0.00 -0.43 0.00 0.00 46.19 41.28 2dx5 s LEU 17 CO 0.01 -0.67 -0.06 0.52 -0.29 0.00 0.00 176.35 175.87 2dx5 n VAL 18 N -0.73 0.95 -3.60 1.68 0.31 -1.18 -4.82 118.33 110.93 2dx5 n VAL 18 Ca 0.08 0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 64.54 2dx5 n VAL 18 Cb 0.52 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.79 2dx5 n VAL 18 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2dx5 s ILE 19 N -1.88 0.01 -0.16 2.52 -0.00 -1.25 -5.07 121.20 115.38 2dx5 s ILE 19 Ca -0.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.65 60.53 2dx5 s ILE 19 Cb 0.01 -0.90 -0.01 0.00 -0.00 0.00 0.00 42.46 41.55 2dx5 s ILE 19 CO 0.07 -0.04 -0.12 -1.58 -0.00 0.00 0.00 174.94 173.27 2dx5 s GLN 20 N -0.68 3.31 0.02 0.37 2.00 -1.26 -2.55 119.66 120.87 2dx5 s GLN 20 Ca -0.08 -0.70 0.03 0.00 -2.00 0.00 0.00 55.36 52.61 2dx5 s GLN 20 Cb -0.02 -2.70 -0.01 0.00 0.80 0.00 0.00 33.01 31.07 2dx5 s GLN 20 CO 0.06 0.04 -0.09 -1.14 -0.50 0.00 0.00 175.29 173.67 2dx5 s GLN 21 N 0.78 0.62 0.34 1.67 -0.44 -1.05 -5.06 119.66 116.52 2dx5 s GLN 21 Ca -0.05 -0.50 0.05 0.00 -2.50 0.00 0.00 55.36 52.36 2dx5 s GLN 21 Cb -0.15 -0.54 0.05 0.00 -1.64 0.00 0.00 33.01 30.72 2dx5 s GLN 21 CO 0.01 0.13 0.41 0.54 0.50 0.00 0.00 175.29 176.89 2dx5 n ARG 22 N 2.27 0.83 -2.28 1.67 1.74 -1.26 -2.43 116.66 117.19 2dx5 n ARG 22 Ca -0.17 -1.88 -0.18 0.00 -0.77 0.00 0.00 57.85 54.85 2dx5 n ARG 22 Cb 0.56 -0.05 -0.01 0.00 -1.02 0.00 0.00 32.46 31.94 2dx5 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dx5 n GLY 23 N 0.91 -0.21 3.87 -0.13 0.00 -0.68 -4.35 105.19 104.61 2dx5 n GLY 23 Ca 0.07 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2dx5 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dx5 s VAL 24 N -2.88 4.92 0.07 1.61 1.01 -0.97 -2.22 120.40 121.94 2dx5 s VAL 24 Ca 0.00 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2dx5 s VAL 24 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2dx5 s VAL 24 CO 0.00 -0.08 -0.18 -0.13 0.00 0.00 0.00 175.10 174.70 2dx5 s ARG 25 N -2.85 1.08 -0.28 2.72 0.52 -0.96 -2.22 118.95 116.97 2dx5 s ARG 25 Ca 0.48 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 2dx5 s ARG 25 Cb -0.11 -1.22 0.08 0.00 0.52 0.00 0.00 34.95 34.22 2dx5 s ARG 25 CO 0.21 0.29 0.01 0.08 0.02 0.00 0.00 175.30 175.91 2dx5 s VAL 26 N -1.04 1.58 0.16 3.52 1.01 -1.13 -2.27 120.40 122.23 2dx5 s VAL 26 Ca 0.04 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.42 2dx5 s VAL 26 Cb -0.09 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 2dx5 s VAL 26 CO 0.03 -0.38 0.38 -0.31 0.00 0.00 0.00 175.10 174.82 2dx5 s TYR 27 N 1.31 3.48 0.00 5.22 2.02 -0.12 -3.83 117.35 125.43 2dx5 s TYR 27 Ca 0.03 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.18 2dx5 s TYR 27 Cb -0.19 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2dx5 s TYR 27 CO -0.11 0.41 0.00 -0.25 -1.57 0.00 0.00 175.55 174.03 2dx5 n ASP 28 N -0.23 0.00 0.00 2.29 8.00 -1.26 -0.32 116.55 125.03 2dx5 n ASP 28 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2dx5 n ASP 28 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2dx5 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dx5 n GLY 29 N 3.48 1.06 3.57 0.44 0.00 -1.26 -3.91 105.19 108.56 2dx5 n GLY 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dx5 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dx5 s GLU 30 N 0.93 3.12 -0.02 1.61 0.41 -1.26 -4.82 118.70 118.68 2dx5 s GLU 30 Ca 0.00 -0.51 0.02 0.00 -0.41 0.00 0.00 54.97 54.07 2dx5 s GLU 30 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 2dx5 s GLU 30 CO 0.00 0.52 -0.08 -1.21 -0.49 0.00 0.00 175.26 174.01 2dx5 s GLU 31 N -0.41 0.78 0.00 1.61 0.41 -1.26 -5.14 118.70 114.68 2dx5 s GLU 31 Ca 0.07 -0.26 0.15 0.00 -0.41 0.00 0.00 54.97 54.51 2dx5 s GLU 31 Cb -0.12 -0.74 0.90 0.00 -1.78 0.00 0.00 34.13 32.38 2dx5 s GLU 31 CO 0.02 0.11 1.32 1.63 -0.49 0.00 0.00 175.26 177.86 2dx5 n LYS 32 N 3.20 0.56 0.00 1.61 5.02 -1.26 -5.09 118.16 122.20 2dx5 n LYS 32 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2dx5 n LYS 32 Cb 0.55 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2dx5 n LYS 32 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2dx5 n PHE 35 N -0.92 0.00 -3.73 2.13 -1.74 -1.26 -5.15 117.46 106.79 2dx5 n PHE 35 Ca 0.11 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.85 2dx5 n PHE 35 Cb 0.05 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.90 2dx5 n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2dx5 s ASP 36 N -1.39 0.23 0.30 5.98 1.01 -1.25 -4.89 116.67 116.66 2dx5 s ASP 36 Ca 0.00 0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.43 2dx5 s ASP 36 Cb 0.00 0.09 -0.05 0.00 1.01 0.00 0.00 42.92 43.98 2dx5 s ASP 36 CO 0.00 -0.17 0.56 0.00 0.21 0.00 0.00 175.17 175.77 2dx5 s ALA 37 N 1.46 3.63 0.00 5.23 0.00 -1.26 -2.83 121.76 127.98 2dx5 s ALA 37 Ca -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2dx5 s ALA 37 Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2dx5 s ALA 37 CO -0.05 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2dx5 n GLY 38 N -1.12 -0.24 2.66 0.00 0.00 -0.94 -2.86 105.19 102.70 2dx5 n GLY 38 Ca -0.02 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2dx5 n GLY 38 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dx5 s THR 39 N -4.00 0.02 0.08 2.61 -1.32 -0.96 -1.68 115.64 110.40 2dx5 s THR 39 Ca 0.00 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2dx5 s THR 39 Cb 0.00 -0.48 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 2dx5 s THR 39 CO 0.00 -0.06 0.99 -0.22 -2.21 0.00 0.00 174.62 173.12 2dx5 s LEU 40 N 2.10 4.45 -0.21 9.08 1.98 -1.02 -2.87 118.68 132.20 2dx5 s LEU 40 Ca 0.03 1.80 0.01 0.00 -2.89 0.00 0.00 54.13 53.07 2dx5 s LEU 40 Cb -0.14 -3.58 0.05 0.00 0.66 0.00 0.00 46.19 43.17 2dx5 s LEU 40 CO -0.06 -0.16 -0.10 -0.22 -1.89 0.00 0.00 176.35 173.92 2dx5 s LEU 41 N 0.33 2.38 0.37 -0.68 2.96 0.05 -2.51 118.68 121.58 2dx5 s LEU 41 Ca 0.49 -0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2dx5 s LEU 41 Cb -0.24 -1.24 -0.06 0.00 0.50 0.00 0.00 46.19 45.15 2dx5 s LEU 41 CO 0.30 -0.16 0.71 -0.22 -1.32 0.00 0.00 176.35 175.66 2dx5 s LEU 42 N 1.38 3.89 0.32 -0.68 2.96 -1.06 -0.50 118.68 124.99 2dx5 s LEU 42 Ca -0.02 1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2dx5 s LEU 42 Cb -0.17 -3.88 -0.00 0.00 0.50 0.00 0.00 46.19 42.64 2dx5 s LEU 42 CO -0.08 -0.34 0.43 -0.94 -1.32 0.00 0.00 176.35 174.10 2dx5 s SER 43 N -3.16 0.77 0.55 3.68 1.04 -0.57 -3.13 113.70 112.89 2dx5 s SER 43 Ca 0.49 -1.42 0.28 0.00 0.48 0.00 0.00 55.95 55.78 2dx5 s SER 43 Cb -0.10 0.62 1.62 0.00 0.10 0.00 0.00 66.02 68.25 2dx5 s SER 43 CO 0.31 -1.22 2.16 0.71 0.98 0.00 0.00 173.24 176.18 2dx5 h THR 44 N 2.17 0.56 0.00 2.02 1.35 -1.50 -3.35 112.91 114.16 2dx5 h THR 44 Ca -0.28 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2dx5 h THR 44 Cb 1.24 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2dx5 h THR 44 CO 0.39 0.06 -0.68 1.41 -0.25 0.00 0.00 175.52 176.45 2dx5 n HIS 45 N -3.76 0.00 -4.42 4.73 8.25 -1.26 -4.93 115.22 113.84 2dx5 n HIS 45 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 2dx5 n HIS 45 Cb 0.16 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 2dx5 n HIS 45 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dx5 s ARG 46 N -1.67 1.53 -0.85 -0.41 0.52 -1.26 -4.28 118.95 112.54 2dx5 s ARG 46 Ca 0.00 -1.71 -0.04 0.00 -0.52 0.00 0.00 55.73 53.46 2dx5 s ARG 46 Cb 0.00 -1.44 0.21 0.00 0.52 0.00 0.00 34.95 34.24 2dx5 s ARG 46 CO 0.00 0.23 0.74 -1.17 0.02 0.00 0.00 175.30 175.12 2dx5 s LEU 47 N -3.43 5.68 0.41 2.53 2.96 -1.26 -1.51 118.68 124.06 2dx5 s LEU 47 Ca 0.27 -3.42 -0.25 0.00 -0.22 0.00 0.00 54.13 50.52 2dx5 s LEU 47 Cb -0.02 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.63 2dx5 s LEU 47 CO 0.11 -0.27 1.14 -0.63 -1.32 0.00 0.00 176.35 175.39 2dx5 s ILE 48 N -0.91 3.26 -0.22 6.68 1.01 0.34 -3.55 121.20 127.82 2dx5 s ILE 48 Ca 0.25 1.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.87 2dx5 s ILE 48 Cb -0.11 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.88 2dx5 s ILE 48 CO -0.10 0.06 0.09 0.86 0.00 0.00 0.00 174.94 175.86 2dx5 s TRP 49 N -1.48 0.43 -0.22 3.97 -0.11 -1.16 -0.77 118.94 119.59 2dx5 s TRP 49 Ca 0.58 -0.64 -0.08 0.00 1.22 0.00 0.00 56.10 57.18 2dx5 s TRP 49 Cb -0.29 -0.86 -0.04 0.00 -1.50 0.00 0.00 33.47 30.79 2dx5 s TRP 49 CO 0.36 -0.64 0.10 -0.98 -4.62 0.00 0.00 176.95 171.16 2dx5 s ARG 50 N 2.06 3.89 0.83 5.86 1.70 -1.14 -0.74 118.95 131.42 2dx5 s ARG 50 Ca 0.04 -0.37 -0.12 0.00 -0.47 0.00 0.00 55.73 54.81 2dx5 s ARG 50 Cb -0.16 -3.36 0.09 0.00 -0.57 0.00 0.00 34.95 30.95 2dx5 s ARG 50 CO -0.18 0.04 1.16 0.34 -1.08 0.00 0.00 175.30 175.58 2dx5 s ASP 51 N 1.04 4.29 0.12 -2.89 2.15 -1.26 -2.26 116.67 117.85 2dx5 s ASP 51 Ca 0.05 0.86 -0.12 0.00 0.43 0.00 0.00 52.55 53.78 2dx5 s ASP 51 Cb -0.14 -1.40 -0.11 0.00 -0.30 0.00 0.00 42.92 40.97 2dx5 s ASP 51 CO 0.04 -2.05 1.36 0.06 -0.17 0.00 0.00 175.17 174.41 2dx5 h GLN 52 N -1.15 0.82 -5.45 4.34 3.07 -1.90 -3.39 115.11 111.45 2dx5 h GLN 52 Ca -0.47 -0.59 -0.65 0.00 0.09 0.00 0.00 58.65 57.03 2dx5 h GLN 52 Cb 1.32 0.10 -0.15 0.00 0.08 0.00 0.00 27.48 28.84 2dx5 h GLN 52 CO 0.65 1.22 0.90 0.15 0.09 0.00 0.00 178.83 181.83 2dx5 s LYS 53 N -3.93 3.43 0.57 0.06 1.02 -1.26 -4.92 119.74 114.71 2dx5 s LYS 53 Ca -0.10 -1.27 0.32 0.00 0.02 0.00 0.00 55.97 54.94 2dx5 s LYS 53 Cb 0.09 -4.76 1.45 0.00 -0.52 0.00 0.00 37.83 34.09 2dx5 s LYS 53 CO 0.90 -1.90 1.79 -2.95 -0.92 0.00 0.00 175.35 172.27 2dx5 h ASN 54 N 9.31 0.00 -0.95 2.83 7.08 -1.98 -3.05 115.58 128.82 2dx5 h ASN 54 Ca 0.01 0.00 0.29 0.00 -3.08 0.00 0.00 56.30 53.53 2dx5 h ASN 54 Cb 1.04 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 37.12 2dx5 h ASN 54 CO 1.20 0.00 0.39 0.78 -2.08 0.00 0.00 177.43 177.73 2dx5 h ASN 55 N 0.00 0.21 -0.16 6.14 2.35 -1.96 0.21 115.58 122.38 2dx5 h ASN 55 Ca 0.42 0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 56.24 2dx5 h ASN 55 Cb 1.91 0.23 -0.16 0.00 0.05 0.00 0.00 38.32 40.36 2dx5 h ASN 55 CO -0.00 -0.20 -0.67 -1.84 -1.65 0.00 0.00 177.43 173.07 2dx5 n GLU 56 N -5.18 1.72 -1.66 0.81 -0.00 -1.16 -5.08 120.64 110.09 2dx5 n GLU 56 Ca 0.28 -3.27 -0.38 0.00 -0.00 0.00 0.00 57.16 53.79 2dx5 n GLU 56 Cb 0.88 -1.49 0.06 0.00 -0.00 0.00 0.00 31.44 30.89 2dx5 n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dx5 n MET 59 N 0.47 0.00 -1.39 0.00 2.81 0.08 -4.97 117.12 114.12 2dx5 n MET 59 Ca -0.01 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 2dx5 n MET 59 Cb 0.02 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.55 2dx5 n MET 59 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dx5 n ALA 60 N -3.00 -1.93 -2.70 3.04 0.00 -1.26 -4.74 120.51 109.91 2dx5 n ALA 60 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2dx5 n ALA 60 Cb 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 19.45 17.88 2dx5 n ALA 60 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2dx5 n ILE 61 N -1.39 0.00 0.00 0.00 -5.35 -1.23 -3.00 119.36 108.39 2dx5 n ILE 61 Ca 0.10 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 2dx5 n ILE 61 Cb 0.45 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 2dx5 n ILE 61 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2dx5 n PRO 62 N -0.19 0.00 -3.46 6.28 -0.02 -1.26 -4.43 135.00 131.93 2dx5 n PRO 62 Ca -0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.14 2dx5 n PRO 62 Cb 0.77 -0.03 0.03 0.00 -0.02 0.00 0.00 33.50 34.25 2dx5 n PRO 62 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dx5 n LEU 63 N 0.00 -3.33 0.00 2.45 4.77 -1.26 -4.54 117.00 115.09 2dx5 n LEU 63 Ca 0.00 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2dx5 n LEU 63 Cb 0.00 -1.93 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 2dx5 n LEU 63 CO 0.00 -0.31 0.00 -1.54 -1.33 0.00 0.00 177.39 174.21 2dx5 n SER 64 N -0.74 0.00 -0.06 -1.43 3.41 -1.26 -4.49 113.62 109.06 2dx5 n SER 64 Ca -0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.45 2dx5 n SER 64 Cb 0.65 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 2dx5 n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dx5 n GLN 65 N 0.00 1.85 -1.47 4.33 6.02 -1.26 -4.94 117.38 121.91 2dx5 n GLN 65 Ca 0.00 0.01 -0.47 0.00 -0.01 0.00 0.00 57.00 56.53 2dx5 n GLN 65 Cb 0.00 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 2dx5 n GLN 65 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2dx5 n ILE 66 N -2.50 0.14 -0.04 5.09 -0.00 -1.08 -4.33 119.36 116.64 2dx5 n ILE 66 Ca -0.20 -0.32 -0.13 0.00 -0.00 0.00 0.00 62.75 62.10 2dx5 n ILE 66 Cb 0.86 -1.75 -0.08 0.00 -0.00 0.00 0.00 39.64 38.66 2dx5 n ILE 66 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2dx5 h VAL 67 N 7.27 1.37 -2.54 7.28 2.07 -0.79 -3.47 116.25 127.44 2dx5 h VAL 67 Ca -0.25 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 65.91 2dx5 h VAL 67 Cb 1.31 2.01 -0.22 0.00 -1.52 0.00 0.00 31.29 32.87 2dx5 h VAL 67 CO 1.07 0.35 -0.10 0.12 0.02 0.00 0.00 177.57 179.03 2dx5 s PHE 68 N -4.26 -0.49 0.20 1.57 5.36 -1.21 -5.03 117.98 114.11 2dx5 s PHE 68 Ca -0.15 1.09 0.10 0.00 -0.96 0.00 0.00 56.93 57.01 2dx5 s PHE 68 Cb 0.04 0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.88 2dx5 s PHE 68 CO 0.72 -0.35 -0.20 0.96 -1.46 0.00 0.00 175.22 174.89 2dx5 s ILE 69 N -0.30 2.09 0.22 3.12 -0.00 -1.26 -1.62 121.20 123.45 2dx5 s ILE 69 Ca -0.05 -2.06 -0.08 0.00 -0.00 0.00 0.00 60.65 58.46 2dx5 s ILE 69 Cb -0.03 -2.02 0.03 0.00 -0.00 0.00 0.00 42.46 40.43 2dx5 s ILE 69 CO 0.03 -0.29 0.43 -1.84 -0.00 0.00 0.00 174.94 173.27 2dx5 n GLU 70 N 0.07 0.62 -4.22 0.37 0.28 -0.96 -5.01 120.64 111.80 2dx5 n GLU 70 Ca -0.11 -1.23 -0.29 0.00 -0.16 0.00 0.00 57.16 55.37 2dx5 n GLU 70 Cb 0.57 1.53 -0.09 0.00 1.43 0.00 0.00 31.44 34.88 2dx5 n GLU 70 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2dx5 s GLU 71 N -2.05 2.18 -0.12 3.44 2.02 -1.26 -0.71 118.70 122.20 2dx5 s GLU 71 Ca 0.09 -1.04 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 2dx5 s GLU 71 Cb -0.03 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 2dx5 s GLU 71 CO 0.07 0.50 -0.21 0.94 0.02 0.00 0.00 175.26 176.58 2dx5 n GLN 72 N 0.56 0.33 0.00 1.61 7.27 -1.26 -4.86 117.38 121.03 2dx5 n GLN 72 Ca -0.13 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2dx5 n GLN 72 Cb 0.53 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 32.11 2dx5 n GLN 72 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dx5 n ALA 73 N -3.88 0.00 -1.26 1.69 0.00 -1.26 -5.15 120.51 110.65 2dx5 n ALA 73 Ca -0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.24 2dx5 n ALA 73 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2dx5 n ALA 73 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2dx5 n LYS 81 N 0.00 -3.27 -3.97 0.00 2.85 -1.26 -5.13 118.16 107.38 2dx5 n LYS 81 Ca 0.00 2.55 -0.35 0.00 -1.05 0.00 0.00 58.31 59.46 2dx5 n LYS 81 Cb 0.00 -3.21 -0.10 0.00 -0.65 0.00 0.00 35.03 31.07 2dx5 n LYS 81 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2dx5 s ILE 82 N -5.07 4.77 0.08 0.58 -1.16 0.48 -4.54 121.20 116.34 2dx5 s ILE 82 Ca 0.00 -0.04 -0.06 0.00 -0.51 0.00 0.00 60.65 60.04 2dx5 s ILE 82 Cb 0.00 -3.16 -0.05 0.00 0.61 0.00 0.00 42.46 39.85 2dx5 s ILE 82 CO 0.00 0.44 0.35 -0.69 -2.81 0.00 0.00 174.94 172.23 2dx5 s VAL 83 N 0.53 5.19 -0.14 4.00 1.01 0.12 0.53 120.40 131.64 2dx5 s VAL 83 Ca 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2dx5 s VAL 83 Cb -0.13 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.69 2dx5 s VAL 83 CO 0.01 0.20 0.04 -0.69 0.00 0.00 0.00 175.10 174.66 2dx5 s VAL 84 N -1.48 0.31 -1.06 2.92 1.01 -0.39 -2.26 120.40 119.45 2dx5 s VAL 84 Ca 0.35 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2dx5 s VAL 84 Cb -0.13 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.69 2dx5 s VAL 84 CO 0.21 -0.05 1.26 -1.00 0.00 0.00 0.00 175.10 175.51 2dx5 s HIS 85 N 1.97 3.33 0.37 5.22 3.76 -0.64 -2.08 115.29 127.23 2dx5 s HIS 85 Ca 0.02 -1.77 0.09 0.00 -0.15 0.00 0.00 55.06 53.25 2dx5 s HIS 85 Cb -0.15 -4.28 0.72 0.00 1.11 0.00 0.00 32.58 29.98 2dx5 s HIS 85 CO -0.07 -1.42 1.87 -0.07 -0.85 0.00 0.00 174.74 174.20 2dx5 h LEU 86 N 9.95 0.22 0.00 0.89 4.07 -1.86 0.17 115.31 128.75 2dx5 h LEU 86 Ca 0.23 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2dx5 h LEU 86 Cb 0.95 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2dx5 h LEU 86 CO 1.16 0.43 0.00 1.57 -1.08 0.00 0.00 178.44 180.52 2dx5 n HIS 87 N -4.22 0.00 0.00 1.13 -0.00 -1.26 -2.62 115.22 108.25 2dx5 n HIS 87 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2dx5 n HIS 87 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2dx5 n HIS 87 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2dx5 n SER 101 N 0.00 0.00 -4.42 0.26 3.41 -1.26 -4.88 113.62 106.73 2dx5 n SER 101 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2dx5 n SER 101 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2dx5 n SER 101 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dx5 s LYS 102 N 0.00 1.52 0.39 4.33 1.02 -1.26 -5.12 119.74 120.62 2dx5 s LYS 102 Ca 0.00 -1.56 -0.25 0.00 0.02 0.00 0.00 55.97 54.18 2dx5 s LYS 102 Cb 0.00 -1.77 -0.09 0.00 -0.52 0.00 0.00 37.83 35.46 2dx5 s LYS 102 CO 0.00 0.37 1.15 0.54 -0.92 0.00 0.00 175.35 176.49 2dx5 s ASN 103 N -2.82 6.59 0.22 2.83 4.22 -1.26 -4.95 114.94 119.76 2dx5 s ASN 103 Ca 0.22 2.30 0.15 0.00 -2.14 0.00 0.00 52.86 53.38 2dx5 s ASN 103 Cb -0.07 -2.61 -0.00 0.00 1.28 0.00 0.00 41.25 39.84 2dx5 s ASN 103 CO 0.10 -0.63 1.29 0.28 -2.04 0.00 0.00 177.10 176.11 2dx5 h SER 104 N 2.67 0.00 -3.43 3.54 0.02 -1.98 -3.49 113.55 110.88 2dx5 h SER 104 Ca -0.49 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.23 2dx5 h SER 104 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2dx5 h SER 104 CO 0.63 0.56 -0.22 0.00 -1.14 0.00 0.00 176.83 176.66 2dx5 n TYR 105 N -3.16 -0.56 -4.12 3.45 4.11 -1.26 -3.90 117.16 111.71 2dx5 n TYR 105 Ca -0.01 -1.49 -0.11 0.00 -0.00 0.00 0.00 57.90 56.29 2dx5 n TYR 105 Cb 0.78 0.19 -0.10 0.00 -0.00 0.00 0.00 39.34 40.20 2dx5 n TYR 105 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 2dx5 s ILE 106 N -2.72 0.58 0.08 -3.48 -4.36 -0.89 -4.39 121.20 106.02 2dx5 s ILE 106 Ca 0.21 -1.65 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 2dx5 s ILE 106 Cb 0.01 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 2dx5 s ILE 106 CO 0.15 -0.74 -0.13 0.00 0.24 0.00 0.00 174.94 174.46 2dx5 s ARG 107 N -3.13 0.82 -0.15 0.37 1.70 0.56 -1.26 118.95 117.86 2dx5 s ARG 107 Ca 0.04 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.29 2dx5 s ARG 107 Cb 0.01 -0.71 -0.00 0.00 -0.57 0.00 0.00 34.95 33.68 2dx5 s ARG 107 CO -0.04 0.14 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.66 2dx5 s LEU 108 N -1.97 2.47 -0.12 -1.89 1.43 0.19 -0.95 118.68 117.83 2dx5 s LEU 108 Ca 0.00 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 2dx5 s LEU 108 Cb -0.08 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2dx5 s LEU 108 CO 0.02 0.10 0.09 -0.44 0.23 0.00 0.00 176.35 176.35 2dx5 s SER 109 N 0.71 5.97 -0.69 2.29 0.01 -0.96 -0.39 113.70 120.64 2dx5 s SER 109 Ca -0.07 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 2dx5 s SER 109 Cb -0.16 -1.90 0.18 0.00 0.21 0.00 0.00 66.02 64.35 2dx5 s SER 109 CO 0.01 0.35 0.52 -0.36 0.41 0.00 0.00 173.24 174.18 2dx5 s PHE 110 N -0.70 3.51 0.00 2.43 0.08 -1.26 -2.27 117.98 119.76 2dx5 s PHE 110 Ca 0.12 -2.77 -0.24 0.00 0.12 0.00 0.00 56.93 54.16 2dx5 s PHE 110 Cb -0.12 -3.22 -0.15 0.00 -0.57 0.00 0.00 43.02 38.97 2dx5 s PHE 110 CO 0.03 -0.82 1.09 -0.22 -0.10 0.00 0.00 175.22 175.20 2dx5 h LYS 111 N 6.80 -0.59 -6.11 0.44 3.64 -1.73 -3.40 116.57 115.62 2dx5 h LYS 111 Ca 0.03 0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.87 2dx5 h LYS 111 Cb 0.92 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 2dx5 h LYS 111 CO 0.74 -0.28 0.82 -2.00 -2.27 0.00 0.00 179.45 176.46 2dx5 s GLU 112 N -4.43 4.24 -0.08 1.90 2.12 -1.25 -4.92 118.70 116.28 2dx5 s GLU 112 Ca -0.13 1.40 -0.39 0.00 0.36 0.00 0.00 54.97 56.21 2dx5 s GLU 112 Cb 0.02 -3.67 -0.19 0.00 0.26 0.00 0.00 34.13 30.55 2dx5 s GLU 112 CO 0.46 -0.66 1.10 -2.39 -0.54 0.00 0.00 175.26 173.23 2dx5 n HIS 113 N 6.41 0.79 0.00 5.30 -0.00 -1.26 -4.69 115.22 121.76 2dx5 n HIS 113 Ca 0.12 1.03 0.00 0.00 -0.00 0.00 0.00 57.72 58.87 2dx5 n HIS 113 Cb 0.46 -2.02 0.00 0.00 -0.00 0.00 0.00 29.99 28.43 2dx5 n HIS 113 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dx5 n GLY 114 N 1.82 0.00 3.85 -1.39 0.00 -1.26 -4.95 105.19 103.27 2dx5 n GLY 114 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2dx5 n GLY 114 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dx5 s GLN 115 N 0.00 3.95 0.00 1.61 2.00 -1.26 -3.74 119.66 122.22 2dx5 s GLN 115 Ca 0.00 0.64 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 2dx5 s GLN 115 Cb 0.00 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.41 2dx5 s GLN 115 CO 0.00 0.08 0.00 0.44 -0.50 0.00 0.00 175.29 175.31 2dx5 n ILE 116 N -0.68 0.00 -0.06 -2.34 -6.64 -1.26 -4.54 119.36 103.84 2dx5 n ILE 116 Ca 0.03 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 61.00 2dx5 n ILE 116 Cb 0.53 -0.26 -0.14 0.00 -1.44 0.00 0.00 39.64 38.33 2dx5 n ILE 116 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2dx5 n GLU 117 N -2.00 0.89 0.06 6.28 1.02 -1.26 -3.69 120.64 121.95 2dx5 n GLU 117 Ca 0.00 -0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 2dx5 n GLU 117 Cb 0.00 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 2dx5 n GLU 117 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dx5 h PHE 118 N 0.00 0.65 -0.92 -0.32 3.57 -1.80 -3.00 116.94 115.11 2dx5 h PHE 118 Ca -0.29 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 60.74 2dx5 h PHE 118 Cb 1.61 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 2dx5 h PHE 118 CO 0.00 1.62 0.58 -0.92 -2.23 0.00 0.00 178.31 177.36 2dx5 h TYR 119 N -0.04 1.19 0.20 0.41 3.20 -1.88 0.60 116.97 120.65 2dx5 h TYR 119 Ca -0.32 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 2dx5 h TYR 119 Cb 1.98 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.85 2dx5 h TYR 119 CO 0.12 0.78 -0.10 0.00 -1.64 0.00 0.00 178.16 177.31 2dx5 h ARG 120 N 1.26 -0.26 0.00 1.82 3.08 -1.68 -1.93 114.38 116.67 2dx5 h ARG 120 Ca 0.33 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2dx5 h ARG 120 Cb -0.09 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2dx5 h ARG 120 CO -0.07 -0.02 -0.02 0.00 -1.07 0.00 0.00 179.97 178.79 2dx5 h ARG 121 N -0.48 0.00 0.13 0.04 2.47 -1.32 -1.87 114.38 113.35 2dx5 h ARG 121 Ca -0.03 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.41 2dx5 h ARG 121 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2dx5 h ARG 121 CO 0.05 0.02 -1.34 1.25 0.56 0.00 0.00 179.97 180.50 2dx5 h LEU 122 N 0.00 0.43 0.16 3.04 6.46 0.31 -2.96 115.31 122.75 2dx5 h LEU 122 Ca -0.00 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 2dx5 h LEU 122 Cb 0.57 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2dx5 h LEU 122 CO 0.00 1.40 -0.08 -1.28 -0.62 0.00 0.00 178.44 177.86 2dx5 h SER 123 N 0.07 -0.18 -0.54 1.25 0.87 -1.23 -1.84 113.55 111.95 2dx5 h SER 123 Ca -0.17 -0.35 0.11 0.00 -1.23 0.00 0.00 61.79 60.14 2dx5 h SER 123 Cb 1.99 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 63.91 2dx5 h SER 123 CO 0.19 0.36 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.50 2dx5 h GLU 124 N -0.84 0.09 -0.07 2.24 5.08 -1.48 -1.94 114.58 117.65 2dx5 h GLU 124 Ca -0.02 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2dx5 h GLU 124 Cb 0.53 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2dx5 h GLU 124 CO 0.04 0.06 -0.44 1.49 -1.00 0.00 0.00 179.01 179.16 2dx5 h GLU 125 N 0.09 0.43 -0.73 2.33 4.57 -1.62 -3.33 114.58 116.31 2dx5 h GLU 125 Ca 0.27 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2dx5 h GLU 125 Cb 0.42 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2dx5 h GLU 125 CO -0.48 1.00 0.47 1.98 -1.18 0.00 0.00 179.01 180.80 2dx5 h MET 126 N -0.03 0.98 -0.09 1.92 4.05 -1.05 -3.07 114.93 117.64 2dx5 h MET 126 Ca -0.03 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 2dx5 h MET 126 Cb 1.10 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2dx5 h MET 126 CO 0.09 0.66 -0.34 1.79 0.23 0.00 0.00 176.91 179.34 2dx5 h THR 127 N 1.00 1.27 -0.38 -0.77 1.35 -1.47 -2.85 112.91 111.06 2dx5 h THR 127 Ca 0.27 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2dx5 h THR 127 Cb -0.08 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2dx5 h THR 127 CO -0.05 0.39 0.00 0.00 -0.25 0.00 0.00 175.52 175.60 2dx5 n GLN 128 N -4.09 3.26 -2.87 4.72 3.00 -1.16 -4.39 117.38 115.84 2dx5 n GLN 128 Ca -0.01 -1.94 -0.35 0.00 -0.01 0.00 0.00 57.00 54.69 2dx5 n GLN 128 Cb 0.42 -1.89 -0.01 0.00 0.00 0.00 0.00 30.24 28.75 2dx5 n GLN 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2dx5 n ARG 129 N 0.46 4.28 0.00 -1.09 5.12 -1.08 -5.11 116.66 119.25 2dx5 n ARG 129 Ca 0.17 -4.72 0.04 0.00 -1.93 0.00 0.00 57.85 51.41 2dx5 n ARG 129 Cb 0.78 -2.38 0.03 0.00 -1.16 0.00 0.00 32.46 29.74 2dx5 n ARG 129 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24