#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s LYS 3 N 0.00 4.14 0.43 0.54 1.02 -1.26 -4.89 119.74 119.72 2wri s LYS 3 Ca 0.00 2.55 -0.25 0.00 0.02 0.00 0.00 55.97 58.29 2wri s LYS 3 Cb 0.00 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2wri s LYS 3 CO 0.00 -0.62 1.23 1.17 -0.92 0.00 0.00 175.35 176.21 2wri n LYS 4 N 2.28 1.80 -3.75 1.68 3.00 -1.26 -4.64 118.16 117.26 2wri n LYS 4 Ca 0.08 0.64 -0.30 0.00 -0.00 0.00 0.00 58.31 58.74 2wri n LYS 4 Cb 0.38 -2.34 -0.14 0.00 0.00 0.00 0.00 35.03 32.92 2wri n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wri s VAL 5 N -1.22 1.14 0.57 3.15 1.01 -1.26 -1.05 120.40 122.73 2wri s VAL 5 Ca 0.62 -1.78 0.01 0.00 0.00 0.00 0.00 61.98 60.83 2wri s VAL 5 Cb -0.51 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wri s VAL 5 CO 0.57 -0.73 0.80 -0.76 0.00 0.00 0.00 175.10 174.98 2wri s LEU 6 N 1.23 3.24 -0.14 3.92 1.43 0.17 -4.89 118.68 123.64 2wri s LEU 6 Ca 0.12 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2wri s LEU 6 Cb -0.19 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.34 2wri s LEU 6 CO -0.17 -1.22 0.31 0.42 0.23 0.00 0.00 176.35 175.92 2wri s THR 7 N -2.80 -0.27 0.00 5.49 -4.23 -1.26 0.17 115.64 112.74 2wri s THR 7 Ca 0.58 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2wri s THR 7 Cb -0.10 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.25 2wri s THR 7 CO 0.39 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 2wri n GLY 8 N 4.84 3.82 3.37 3.99 0.00 -1.17 -4.73 105.19 115.32 2wri n GLY 8 Ca -0.15 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2wri n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wri s VAL 9 N -2.20 2.27 -0.16 1.61 -7.23 0.08 -0.33 120.40 114.44 2wri s VAL 9 Ca 0.00 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 2wri s VAL 9 Cb 0.00 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2wri s VAL 9 CO 0.00 0.30 1.11 -0.69 -0.31 0.00 0.00 175.10 175.51 2wri s VAL 10 N -0.88 4.54 -0.03 1.32 1.01 -1.04 0.21 120.40 125.53 2wri s VAL 10 Ca 0.13 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2wri s VAL 10 Cb -0.10 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2wri s VAL 10 CO 0.03 -0.11 0.36 1.33 0.00 0.00 0.00 175.10 176.72 2wri n VAL 11 N 5.07 0.00 -4.01 2.92 0.24 -0.03 -1.50 118.33 121.02 2wri n VAL 11 Ca 0.12 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2wri n VAL 11 Cb 0.46 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 2wri n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wri s SER 12 N -0.32 0.19 0.00 -1.34 0.15 -1.23 -4.95 113.70 106.20 2wri s SER 12 Ca 0.00 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2wri s SER 12 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2wri s SER 12 CO 0.01 -0.78 0.01 -0.90 1.20 0.00 0.00 173.24 172.77 2wri n ASP 13 N -0.11 0.00 0.19 5.45 5.75 -1.26 -2.99 116.55 123.58 2wri n ASP 13 Ca -0.09 -0.05 0.05 0.00 -0.01 0.00 0.00 54.79 54.69 2wri n ASP 13 Cb 0.63 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 41.10 2wri n ASP 13 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2wri h LYS 14 N 0.00 0.00 -7.45 0.11 1.57 -1.96 -3.45 116.57 105.40 2wri h LYS 14 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2wri h LYS 14 Cb 0.05 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.51 2wri h LYS 14 CO 0.00 0.37 0.24 -1.64 -0.57 0.00 0.00 179.45 177.85 2wri s MET 15 N -3.89 0.41 -0.20 3.15 -1.94 -1.26 -5.02 119.30 110.56 2wri s MET 15 Ca -0.01 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.07 2wri s MET 15 Cb 0.13 -1.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 2wri s MET 15 CO 0.69 -2.69 0.39 -0.65 -0.01 0.00 0.00 175.02 172.76 2wri s GLN 16 N -5.22 4.18 -1.51 2.03 -0.21 -1.26 -4.15 119.66 113.52 2wri s GLN 16 Ca 0.66 0.19 0.00 0.00 0.02 0.00 0.00 55.36 56.24 2wri s GLN 16 Cb -0.15 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2wri s GLN 16 CO 0.55 -0.03 0.00 1.63 -2.12 0.00 0.00 175.29 175.33 2wri n LYS 17 N 4.44 -1.57 -3.91 2.91 5.02 -1.26 -4.95 118.16 118.85 2wri n LYS 17 Ca -0.08 1.00 -0.12 0.00 -2.02 0.00 0.00 58.31 57.08 2wri n LYS 17 Cb 0.51 -5.38 -0.14 0.00 -0.02 0.00 0.00 35.03 30.00 2wri n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wri s THR 18 N -2.24 0.05 0.01 -0.18 2.01 -1.26 -1.30 115.64 112.74 2wri s THR 18 Ca 0.00 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2wri s THR 18 Cb 0.00 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.43 2wri s THR 18 CO 0.00 -0.02 -0.11 0.68 -0.69 0.00 0.00 174.62 174.48 2wri s VAL 19 N -0.11 0.84 -0.36 3.82 -7.23 -1.08 -4.24 120.40 112.05 2wri s VAL 19 Ca -0.01 -0.67 -0.19 0.00 -1.81 0.00 0.00 61.98 59.30 2wri s VAL 19 Cb -0.01 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2wri s VAL 19 CO -0.00 0.08 0.57 -0.89 -0.31 0.00 0.00 175.10 174.54 2wri s THR 20 N -0.56 4.96 -0.19 5.32 2.01 -1.16 -1.85 115.64 124.17 2wri s THR 20 Ca 0.01 0.41 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 2wri s THR 20 Cb -0.06 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2wri s THR 20 CO 0.00 -0.28 0.09 -0.69 -0.69 0.00 0.00 174.62 173.05 2wri s VAL 21 N 2.53 4.96 -0.19 3.82 1.01 -0.50 -0.85 120.40 131.19 2wri s VAL 21 Ca 0.21 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2wri s VAL 21 Cb -0.15 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2wri s VAL 21 CO 0.14 0.44 0.09 -0.22 0.00 0.00 0.00 175.10 175.56 2wri s LEU 22 N 0.46 3.99 -0.07 3.92 2.96 0.13 -1.11 118.68 128.97 2wri s LEU 22 Ca 0.05 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 2wri s LEU 22 Cb -0.12 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2wri s LEU 22 CO 0.00 0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.38 2wri s VAL 23 N 0.32 1.27 0.00 1.68 1.01 -0.21 -0.74 120.40 123.74 2wri s VAL 23 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2wri s VAL 23 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2wri s VAL 23 CO -0.01 0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 2wri n GLU 24 N 3.68 0.67 0.00 2.72 1.02 -1.26 -1.25 120.64 126.21 2wri n GLU 24 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2wri n GLU 24 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2wri n GLU 24 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2wri n ARG 25 N -0.95 0.00 -4.37 3.49 1.85 -0.96 -4.89 116.66 110.83 2wri n ARG 25 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 2wri n ARG 25 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 2wri n ARG 25 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2wri s GLN 26 N -1.28 1.49 0.09 2.89 -0.21 -1.26 -2.52 119.66 118.86 2wri s GLN 26 Ca 0.00 -1.31 -0.26 0.00 0.02 0.00 0.00 55.36 53.81 2wri s GLN 26 Cb 0.00 -1.95 0.07 0.00 1.00 0.00 0.00 33.01 32.13 2wri s GLN 26 CO 0.00 0.46 0.63 -0.59 -2.12 0.00 0.00 175.29 173.67 2wri s PHE 27 N -1.08 -0.58 0.08 0.91 -0.12 -0.49 -4.96 117.98 111.73 2wri s PHE 27 Ca 0.15 0.60 -0.31 0.00 -0.05 0.00 0.00 56.93 57.33 2wri s PHE 27 Cb -0.10 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2wri s PHE 27 CO 0.07 -0.77 1.23 -2.14 -0.05 0.00 0.00 175.22 173.57 2wri s PRO 28 N -2.87 4.42 0.16 1.99 0.02 -1.26 -0.81 135.00 136.65 2wri s PRO 28 Ca -0.03 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 62.50 2wri s PRO 28 Cb -0.01 -3.32 -0.10 0.00 0.02 0.00 0.00 34.50 31.09 2wri s PRO 28 CO -0.05 -0.28 1.63 -1.58 -0.33 0.00 0.00 177.00 176.39 2wri s HIS 29 N 1.00 2.87 0.56 6.54 2.46 0.65 -4.82 115.29 124.56 2wri s HIS 29 Ca 0.59 0.47 0.30 0.00 0.47 0.00 0.00 55.06 56.90 2wri s HIS 29 Cb -0.31 -4.00 1.46 0.00 -0.13 0.00 0.00 32.58 29.60 2wri s HIS 29 CO 0.30 -3.78 1.87 -1.00 -2.47 0.00 0.00 174.74 169.65 2wri h PRO 30 N 7.15 0.00 0.00 2.88 0.13 -1.92 0.32 132.00 140.56 2wri h PRO 30 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2wri h PRO 30 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wri h PRO 30 CO 0.93 0.00 -1.32 -0.11 -0.23 0.00 0.00 178.00 177.27 2wri n LEU 31 N -3.97 0.15 -0.00 1.56 7.94 -1.26 -4.77 117.00 116.65 2wri n LEU 31 Ca 0.14 -0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.10 2wri n LEU 31 Cb 0.84 0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.81 2wri n LEU 31 CO 0.33 0.14 -0.11 -1.22 -1.11 0.00 0.00 177.39 175.42 2wri n TYR 32 N -2.20 0.00 0.00 1.96 4.02 -1.18 -5.02 117.16 114.74 2wri n TYR 32 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2wri n TYR 32 Cb 0.65 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 2wri n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 33 N 1.37 1.07 3.31 2.72 0.00 0.11 -4.88 105.19 108.88 2wri n GLY 33 Ca 0.02 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2wri n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wri n LYS 34 N 0.00 0.00 -2.69 1.61 4.81 -1.26 -3.23 118.16 117.40 2wri n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2wri n LYS 34 Cb 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 2wri n LYS 34 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2wri s VAL 35 N -0.69 4.01 0.32 3.15 -7.23 -1.26 -0.25 120.40 118.45 2wri s VAL 35 Ca 0.69 0.11 0.05 0.00 -1.81 0.00 0.00 61.98 61.03 2wri s VAL 35 Cb -0.99 -4.80 -0.01 0.00 0.56 0.00 0.00 36.38 31.13 2wri s VAL 35 CO 0.54 -1.64 0.46 0.27 -0.31 0.00 0.00 175.10 174.42 2wri s ILE 36 N 4.95 4.39 0.45 -0.62 -4.36 0.01 -4.81 121.20 121.21 2wri s ILE 36 Ca 0.30 -0.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.83 2wri s ILE 36 Cb -0.12 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.04 2wri s ILE 36 CO 0.14 -0.23 0.38 -0.75 0.24 0.00 0.00 174.94 174.72 2wri s LYS 37 N -4.16 2.43 -0.29 0.37 2.20 -1.26 -1.40 119.74 117.63 2wri s LYS 37 Ca 0.42 -1.67 -0.28 0.00 -0.36 0.00 0.00 55.97 54.08 2wri s LYS 37 Cb -0.09 -2.28 0.19 0.00 -1.51 0.00 0.00 37.83 34.13 2wri s LYS 37 CO 0.31 -0.29 1.39 0.50 -0.36 0.00 0.00 175.35 176.90 2wri s ARG 38 N -4.15 0.05 0.07 4.03 6.06 -1.05 -4.98 118.95 118.99 2wri s ARG 38 Ca 0.45 0.02 0.03 0.00 -2.50 0.00 0.00 55.73 53.73 2wri s ARG 38 Cb -0.02 0.03 -0.03 0.00 0.06 0.00 0.00 34.95 34.98 2wri s ARG 38 CO 0.26 -0.01 -0.08 -1.54 -2.50 0.00 0.00 175.30 171.43 2wri s SER 39 N -0.72 1.09 0.00 -2.12 1.04 -1.26 -2.27 113.70 109.46 2wri s SER 39 Ca 0.09 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2wri s SER 39 Cb -0.02 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2wri s SER 39 CO -0.10 -0.28 -0.05 -0.75 0.98 0.00 0.00 173.24 173.04 2wri s LYS 40 N -2.42 0.40 -0.17 4.02 2.20 -0.38 -4.99 119.74 118.41 2wri s LYS 40 Ca -0.01 -0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.26 2wri s LYS 40 Cb -0.05 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 2wri s LYS 40 CO -0.01 0.09 0.03 0.15 -0.36 0.00 0.00 175.35 175.25 2wri s LYS 41 N -0.39 3.88 0.06 4.03 1.02 -1.26 -1.04 119.74 126.04 2wri s LYS 41 Ca -0.01 -0.39 0.08 0.00 0.02 0.00 0.00 55.97 55.68 2wri s LYS 41 Cb -0.03 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2wri s LYS 41 CO -0.00 0.28 -0.21 0.71 -0.92 0.00 0.00 175.35 175.21 2wri s TYR 42 N 0.33 2.48 -0.53 3.18 1.51 -0.27 -4.97 117.35 119.09 2wri s TYR 42 Ca 0.01 -0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 55.58 2wri s TYR 42 Cb -0.13 -1.41 0.07 0.00 -0.11 0.00 0.00 41.96 40.39 2wri s TYR 42 CO 0.01 0.26 0.64 -0.51 -1.11 0.00 0.00 175.55 174.84 2wri s LEU 43 N -1.58 5.10 0.38 -1.29 1.43 -1.26 -1.41 118.68 120.05 2wri s LEU 43 Ca 0.15 -1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.10 2wri s LEU 43 Cb -0.10 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 2wri s LEU 43 CO 0.05 -0.95 0.70 0.00 0.23 0.00 0.00 176.35 176.39 2wri s ALA 44 N 2.62 3.45 -0.12 4.21 0.00 -0.77 -3.73 121.76 127.43 2wri s ALA 44 Ca 0.14 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 2wri s ALA 44 Cb -0.21 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2wri s ALA 44 CO 0.10 0.02 0.21 -1.58 0.00 0.00 0.00 175.76 174.51 2wri s HIS 45 N -2.34 3.57 -0.32 0.00 2.46 0.62 -2.62 115.29 116.66 2wri s HIS 45 Ca 0.48 0.59 -0.00 0.00 0.47 0.00 0.00 55.06 56.59 2wri s HIS 45 Cb -0.10 -2.09 0.13 0.00 -0.13 0.00 0.00 32.58 30.38 2wri s HIS 45 CO 0.33 0.58 0.26 0.34 -2.47 0.00 0.00 174.74 173.78 2wri s ASP 46 N -0.60 2.16 0.16 9.88 3.68 -0.42 -1.96 116.67 129.57 2wri s ASP 46 Ca 0.16 -1.24 -0.12 0.00 2.13 0.00 0.00 52.55 53.48 2wri s ASP 46 Cb -0.13 0.21 0.04 0.00 -1.45 0.00 0.00 42.92 41.59 2wri s ASP 46 CO 0.05 -0.36 1.63 1.55 0.13 0.00 0.00 175.17 178.16 2wri h PRO 47 N 7.87 0.92 -1.15 4.34 0.13 -1.97 -3.07 132.00 139.08 2wri h PRO 47 Ca -0.08 -0.28 -0.49 0.00 -0.87 0.00 0.00 66.00 64.27 2wri h PRO 47 Cb 1.04 -0.09 -0.23 0.00 0.13 0.00 0.00 31.00 31.85 2wri h PRO 47 CO 0.32 0.92 0.64 0.39 -0.23 0.00 0.00 178.00 180.04 2wri n GLU 48 N -4.31 2.22 -2.29 0.86 4.71 -1.26 -4.84 120.64 115.73 2wri n GLU 48 Ca 0.02 -2.52 0.00 0.00 -0.01 0.00 0.00 57.16 54.65 2wri n GLU 48 Cb 0.30 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.75 2wri n GLU 48 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wri n GLU 49 N -0.52 -0.74 -0.43 3.49 -0.58 -1.16 -4.65 120.64 116.05 2wri n GLU 49 Ca 0.49 -0.22 0.08 0.00 -0.42 0.00 0.00 57.16 57.09 2wri n GLU 49 Cb 0.88 0.39 0.28 0.00 -0.57 0.00 0.00 31.44 32.42 2wri n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wri n LYS 50 N -0.68 3.24 -4.50 3.49 2.85 -1.26 -4.89 118.16 116.41 2wri n LYS 50 Ca 0.00 -2.62 -0.32 0.00 -1.05 0.00 0.00 58.31 54.32 2wri n LYS 50 Cb 0.00 -1.67 -0.16 0.00 -0.65 0.00 0.00 35.03 32.55 2wri n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wri s TYR 51 N -1.67 2.61 0.33 5.58 1.51 -1.26 -5.13 117.35 119.33 2wri s TYR 51 Ca 0.41 -1.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.14 2wri s TYR 51 Cb 0.26 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 40.37 2wri s TYR 51 CO 0.20 -0.65 0.46 0.36 -1.11 0.00 0.00 175.55 174.81 2wri n LYS 52 N 4.23 0.69 -2.66 -0.62 0.00 -1.26 -4.98 118.16 113.56 2wri n LYS 52 Ca -0.20 -1.67 -0.42 0.00 -0.00 0.00 0.00 58.31 56.02 2wri n LYS 52 Cb 0.51 -0.17 -0.03 0.00 -0.00 0.00 0.00 35.03 35.34 2wri n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2wri s LEU 53 N 0.00 4.33 0.00 -5.58 0.20 -1.26 -3.90 118.68 112.46 2wri s LEU 53 Ca 0.34 1.66 0.00 0.00 0.69 0.00 0.00 54.13 56.82 2wri s LEU 53 Cb -0.03 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2wri s LEU 53 CO 0.22 -0.36 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 2wri n GLY 54 N 3.02 1.07 3.12 7.98 0.00 -0.56 -4.82 105.19 114.99 2wri n GLY 54 Ca 0.07 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2wri n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wri s ASP 55 N -2.40 3.04 -0.29 1.61 1.11 -1.25 -1.20 116.67 117.30 2wri s ASP 55 Ca 0.00 -0.61 -0.29 0.00 0.18 0.00 0.00 52.55 51.83 2wri s ASP 55 Cb 0.00 -1.42 0.01 0.00 1.07 0.00 0.00 42.92 42.58 2wri s ASP 55 CO 0.00 0.01 1.05 -0.69 1.18 0.00 0.00 175.17 176.72 2wri s VAL 56 N 1.18 4.59 0.00 -1.27 1.01 -0.26 -2.48 120.40 123.17 2wri s VAL 56 Ca 0.02 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2wri s VAL 56 Cb -0.14 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2wri s VAL 56 CO -0.10 -0.36 0.00 1.33 0.00 0.00 0.00 175.10 175.98 2wri n VAL 57 N 5.65 0.00 -3.74 2.92 0.24 0.55 0.32 118.33 124.27 2wri n VAL 57 Ca 0.12 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.25 2wri n VAL 57 Cb 0.47 -0.09 -0.17 0.00 -1.47 0.00 0.00 33.84 32.58 2wri n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wri s GLU 58 N 1.66 -0.05 -0.11 7.34 2.02 -0.75 -3.05 118.70 125.77 2wri s GLU 58 Ca 0.00 0.26 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 2wri s GLU 58 Cb 0.00 -0.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 2wri s GLU 58 CO 0.00 -0.22 0.09 0.42 0.02 0.00 0.00 175.26 175.57 2wri s ILE 59 N 1.45 5.08 -0.02 -1.63 -1.09 0.13 0.29 121.20 125.41 2wri s ILE 59 Ca -0.04 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 2wri s ILE 59 Cb -0.13 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2wri s ILE 59 CO -0.03 0.61 -0.17 -0.51 -1.23 0.00 0.00 174.94 173.61 2wri s ILE 60 N -0.94 1.37 0.35 2.92 2.07 -0.63 -0.65 121.20 125.68 2wri s ILE 60 Ca 0.14 -0.73 -0.27 0.00 -1.41 0.00 0.00 60.65 58.39 2wri s ILE 60 Cb -0.12 -1.14 -0.12 0.00 0.13 0.00 0.00 42.46 41.21 2wri s ILE 60 CO 0.03 0.39 1.11 1.21 -1.91 0.00 0.00 174.94 175.77 2wri n GLU 61 N 2.76 1.61 -3.98 3.50 2.13 -0.22 -1.77 120.64 124.68 2wri n GLU 61 Ca -0.15 0.57 -0.12 0.00 0.66 0.00 0.00 57.16 58.12 2wri n GLU 61 Cb 0.54 -2.07 -0.02 0.00 0.27 0.00 0.00 31.44 30.15 2wri n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wri s SER 62 N -0.54 0.44 0.27 4.31 0.01 0.14 -4.73 113.70 113.60 2wri s SER 62 Ca 0.59 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 2wri s SER 62 Cb -0.61 0.71 -0.09 0.00 0.21 0.00 0.00 66.02 66.23 2wri s SER 62 CO 0.60 -1.38 1.07 -0.60 0.41 0.00 0.00 173.24 173.33 2wri s ARG 63 N -3.04 4.68 -0.34 12.44 3.00 -1.26 -4.77 118.95 129.66 2wri s ARG 63 Ca 0.24 1.75 -0.38 0.00 -1.00 0.00 0.00 55.73 56.34 2wri s ARG 63 Cb -0.02 -3.20 -0.14 0.00 0.00 0.00 0.00 34.95 31.59 2wri s ARG 63 CO 0.15 0.26 2.03 -2.30 0.00 0.00 0.00 175.30 175.45 2wri n PRO 64 N 1.24 0.99 -0.02 5.12 -0.02 -1.26 -4.81 135.00 136.25 2wri n PRO 64 Ca -0.01 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.73 2wri n PRO 64 Cb 0.45 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 2wri n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wri n ILE 65 N 6.21 1.34 -3.78 4.25 5.41 -1.20 -5.03 119.36 126.56 2wri n ILE 65 Ca 0.38 -0.76 0.03 0.00 1.00 0.00 0.00 62.75 63.40 2wri n ILE 65 Cb 0.16 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 2wri n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wri s SER 66 N -5.78 -0.02 0.68 4.38 1.04 -1.21 -5.00 113.70 107.79 2wri s SER 66 Ca -0.05 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 2wri s SER 66 Cb 0.08 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2wri s SER 66 CO 0.83 -0.23 0.82 1.17 0.98 0.00 0.00 173.24 176.81 2wri n LYS 67 N -0.68 0.56 0.00 4.02 4.81 -1.26 -2.07 118.16 123.53 2wri n LYS 67 Ca -0.03 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2wri n LYS 67 Cb 0.61 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.60 2wri n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wri n ARG 68 N -1.20 0.00 -2.47 1.64 1.74 -1.26 -4.85 116.66 110.26 2wri n ARG 68 Ca 0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2wri n ARG 68 Cb 0.49 -0.15 -0.03 0.00 -1.02 0.00 0.00 32.46 31.75 2wri n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wri s LYS 69 N 0.00 4.42 0.00 5.56 1.02 -0.88 -4.43 119.74 125.43 2wri s LYS 69 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.68 2wri s LYS 69 Cb 0.00 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2wri s LYS 69 CO 0.00 -0.30 0.00 0.54 -0.92 0.00 0.00 175.35 174.67 2wri n ARG 70 N 4.41 0.00 -5.07 1.68 3.00 -1.24 -3.26 116.66 116.17 2wri n ARG 70 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.64 2wri n ARG 70 Cb 0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 32.46 32.77 2wri n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wri s PHE 71 N 0.00 2.14 0.16 -1.55 0.08 -1.26 -0.69 117.98 116.86 2wri s PHE 71 Ca 0.00 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.70 2wri s PHE 71 Cb 0.00 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 2wri s PHE 71 CO 0.00 0.01 0.12 1.03 -0.10 0.00 0.00 175.22 176.28 2wri s ARG 72 N -0.77 2.86 -0.41 0.44 0.52 -0.73 -0.28 118.95 120.58 2wri s ARG 72 Ca 0.10 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 2wri s ARG 72 Cb -0.09 -2.63 -0.00 0.00 0.52 0.00 0.00 34.95 32.75 2wri s ARG 72 CO 0.00 0.49 1.58 0.08 0.02 0.00 0.00 175.30 177.47 2wri s VAL 73 N -1.72 3.70 0.00 3.52 1.01 -0.83 -1.60 120.40 124.48 2wri s VAL 73 Ca 0.31 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2wri s VAL 73 Cb -0.10 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 2wri s VAL 73 CO 0.23 -0.69 0.95 0.25 0.00 0.00 0.00 175.10 175.83 2wri h LEU 74 N 13.12 -0.62 -7.34 3.92 7.12 -0.49 -3.48 115.31 127.53 2wri h LEU 74 Ca -0.29 0.02 0.14 0.00 0.13 0.00 0.00 57.88 57.88 2wri h LEU 74 Cb 1.13 0.16 -0.11 0.00 -0.53 0.00 0.00 40.66 41.31 2wri h LEU 74 CO 1.09 -0.29 0.48 0.00 -0.13 0.00 0.00 178.44 179.58 2wri s ARG 75 N -4.04 1.03 -0.07 1.25 1.70 -1.25 -4.99 118.95 112.57 2wri s ARG 75 Ca -0.11 -0.49 -0.21 0.00 -0.47 0.00 0.00 55.73 54.45 2wri s ARG 75 Cb 0.01 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2wri s ARG 75 CO 0.32 -0.46 0.61 -1.17 -1.08 0.00 0.00 175.30 173.52 2wri s LEU 76 N -2.73 4.33 0.00 -1.89 2.96 -1.26 -1.80 118.68 118.29 2wri s LEU 76 Ca 0.09 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 2wri s LEU 76 Cb -0.01 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2wri s LEU 76 CO -0.03 -0.04 0.00 0.52 -1.32 0.00 0.00 176.35 175.48 2wri n VAL 77 N 3.53 0.00 -4.84 1.68 0.31 0.15 -4.97 118.33 114.19 2wri n VAL 77 Ca -0.04 0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 2wri n VAL 77 Cb 0.51 -0.56 -0.15 0.00 -0.91 0.00 0.00 33.84 32.73 2wri n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wri s GLU 78 N -0.18 1.49 -0.09 5.55 -1.05 -0.96 -5.00 118.70 118.46 2wri s GLU 78 Ca 0.00 -0.75 -0.07 0.00 -0.15 0.00 0.00 54.97 54.00 2wri s GLU 78 Cb 0.00 -1.48 -0.04 0.00 -0.44 0.00 0.00 34.13 32.17 2wri s GLU 78 CO 0.00 0.40 0.17 0.45 0.95 0.00 0.00 175.26 177.23 2wri s SER 79 N -0.65 6.43 0.00 0.83 0.15 -1.26 -1.10 113.70 118.10 2wri s SER 79 Ca 0.07 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2wri s SER 79 Cb -0.08 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2wri s SER 79 CO -0.00 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2wri n GLY 80 N 1.84 -1.73 2.70 9.45 0.00 -0.58 -4.98 105.19 111.90 2wri n GLY 80 Ca -0.18 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 2wri n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri n ARG 81 N 0.18 1.29 0.30 1.61 5.12 -0.34 -4.93 116.66 119.88 2wri n ARG 81 Ca 0.00 -2.13 0.15 0.00 -1.93 0.00 0.00 57.85 53.94 2wri n ARG 81 Cb 0.00 -0.33 0.80 0.00 -1.16 0.00 0.00 32.46 31.77 2wri n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2wri h MET 82 N 2.02 0.00 0.00 5.56 2.86 -1.90 0.19 114.93 123.65 2wri h MET 82 Ca -0.27 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2wri h MET 82 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 2wri h MET 82 CO 0.04 0.00 -0.13 0.38 1.06 0.00 0.00 176.91 178.26 2wri h ASP 83 N 0.00 0.00 0.16 1.22 2.03 -1.97 -0.44 116.42 117.42 2wri h ASP 83 Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 2wri h ASP 83 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2wri h ASP 83 CO 0.00 0.13 -1.84 -0.07 -1.03 0.00 0.00 179.24 176.42 2wri h LEU 84 N 0.00 0.53 -1.62 0.15 3.38 -1.05 -3.16 115.31 113.55 2wri h LEU 84 Ca -0.00 -0.95 0.03 0.00 0.09 0.00 0.00 57.88 57.05 2wri h LEU 84 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wri h LEU 84 CO 0.02 1.82 0.30 0.58 0.09 0.00 0.00 178.44 181.24 2wri h VAL 85 N 0.08 1.05 -0.08 1.22 2.07 -1.35 -1.37 116.25 117.87 2wri h VAL 85 Ca -0.38 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2wri h VAL 85 Cb 2.06 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2wri h VAL 85 CO 0.14 0.09 -0.11 -0.33 0.02 0.00 0.00 177.57 177.38 2wri h GLU 86 N 0.51 0.21 -0.99 1.57 4.39 -1.21 0.33 114.58 119.38 2wri h GLU 86 Ca 0.18 -0.12 0.23 0.00 0.34 0.00 0.00 59.36 59.98 2wri h GLU 86 Cb 0.09 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.63 2wri h GLU 86 CO -0.04 0.68 0.58 0.87 -1.16 0.00 0.00 179.01 179.93 2wri h LYS 87 N -0.23 0.60 0.00 2.33 1.79 -1.30 0.68 116.57 120.44 2wri h LYS 87 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2wri h LYS 87 Cb 0.65 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2wri h LYS 87 CO 0.03 0.40 0.00 0.98 -1.08 0.00 0.00 179.45 179.77 2wri n TYR 88 N -4.87 0.00 -0.14 -1.35 9.36 -0.60 -2.67 117.16 116.89 2wri n TYR 88 Ca 0.26 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.56 2wri n TYR 88 Cb 0.69 -0.04 0.16 0.00 -0.63 0.00 0.00 39.34 39.51 2wri n TYR 88 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wri n LEU 89 N -0.63 0.01 -0.12 2.98 4.77 0.11 0.19 117.00 124.31 2wri n LEU 89 Ca 0.00 0.70 -0.12 0.00 -0.03 0.00 0.00 56.01 56.56 2wri n LEU 89 Cb 0.00 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2wri n LEU 89 CO 0.00 -0.73 0.64 0.40 -1.33 0.00 0.00 177.39 176.37 2wri h ILE 90 N 0.00 1.29 0.00 -0.08 1.08 0.24 -1.17 117.51 118.87 2wri h ILE 90 Ca 0.28 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 2wri h ILE 90 Cb 0.64 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2wri h ILE 90 CO -0.37 0.44 0.00 -1.14 -0.69 0.00 0.00 178.15 176.39 2wri n ARG 91 N -4.28 0.19 -0.04 2.37 0.63 0.50 -1.71 116.66 114.32 2wri n ARG 91 Ca -0.02 0.49 -0.09 0.00 -0.92 0.00 0.00 57.85 57.31 2wri n ARG 91 Cb 0.43 -1.91 -0.14 0.00 0.45 0.00 0.00 32.46 31.28 2wri n ARG 91 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2wri n ARG 92 N -2.28 0.65 -0.13 -0.14 0.63 -0.93 -4.10 116.66 110.36 2wri n ARG 92 Ca 0.01 0.21 -0.09 0.00 -0.92 0.00 0.00 57.85 57.06 2wri n ARG 92 Cb 0.18 -1.72 -0.01 0.00 0.45 0.00 0.00 32.46 31.37 2wri n ARG 92 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2wri h GLN 93 N 0.00 0.60 -0.54 -0.14 4.15 -0.33 -3.08 115.11 115.77 2wri h GLN 93 Ca -0.36 -0.11 0.11 0.00 0.77 0.00 0.00 58.65 59.06 2wri h GLN 93 Cb 2.07 -0.10 -0.11 0.00 0.21 0.00 0.00 27.48 29.55 2wri h GLN 93 CO 0.06 0.57 -0.21 -0.91 -1.93 0.00 0.00 178.83 176.41 2wri h ASN 94 N 0.50 -0.75 -0.37 -0.69 2.35 -1.63 -2.17 115.58 112.81 2wri h ASN 94 Ca 0.13 0.19 0.14 0.00 -0.55 0.00 0.00 56.30 56.21 2wri h ASN 94 Cb 0.20 0.43 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2wri h ASN 94 CO -0.01 -0.24 0.14 -1.22 -1.65 0.00 0.00 177.43 174.45 2wri n TYR 95 N -5.42 0.38 -0.17 1.19 4.01 -1.16 0.83 117.16 116.81 2wri n TYR 95 Ca 0.05 0.44 0.29 0.00 -0.16 0.00 0.00 57.90 58.52 2wri n TYR 95 Cb 0.32 -0.86 0.72 0.00 -0.31 0.00 0.00 39.34 39.21 2wri n TYR 95 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2wri h GLU 96 N 0.00 0.00 -0.89 -0.72 5.08 -1.59 -1.62 114.58 114.84 2wri h GLU 96 Ca 0.29 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.17 2wri h GLU 96 Cb 0.73 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.70 2wri h GLU 96 CO -0.30 0.00 0.53 -1.13 -1.00 0.00 0.00 179.01 177.11 2wri n SER 97 N -4.04 3.93 0.00 1.42 3.41 0.24 -4.03 113.62 114.55 2wri n SER 97 Ca 0.19 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 2wri n SER 97 Cb 1.02 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2wri n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wri n LEU 98 N -1.12 0.58 0.00 1.04 4.77 -0.61 -5.05 117.00 116.61 2wri n LEU 98 Ca 0.56 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2wri n LEU 98 Cb 1.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.55 2wri n LEU 98 CO 0.55 0.14 0.00 -1.54 -1.33 0.00 0.00 177.39 175.22 2wri n SER 99 N -0.33 -0.01 -2.80 -1.43 3.41 -1.26 -5.08 113.62 106.13 2wri n SER 99 Ca 0.00 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.72 2wri n SER 99 Cb 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.01 2wri n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wri n LYS 100 N -0.80 0.85 0.00 4.33 5.02 -1.26 -5.17 118.16 121.13 2wri n LYS 100 Ca 0.00 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 2wri n LYS 100 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2wri n LYS 100 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77