#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v47 s PHE 2 N 0.00 2.09 -0.30 2.03 5.36 -1.24 -4.82 117.98 121.09 2v47 s PHE 2 Ca 0.00 -0.91 -0.17 0.00 -0.96 0.00 0.00 56.93 54.89 2v47 s PHE 2 Cb 0.00 -1.41 0.17 0.00 -0.34 0.00 0.00 43.02 41.44 2v47 s PHE 2 CO 0.00 0.11 1.20 0.00 -1.46 0.00 0.00 175.22 175.06 2v47 s ALA 3 N -3.13 -4.00 -0.55 11.12 0.00 -1.18 -4.55 121.76 119.47 2v47 s ALA 3 Ca 0.34 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.64 2v47 s ALA 3 Cb 0.08 -2.69 0.14 0.00 0.00 0.00 0.00 23.12 20.66 2v47 s ALA 3 CO 0.16 -1.66 0.31 0.42 0.00 0.00 0.00 175.76 174.99 2v47 s ILE 4 N 2.99 2.93 0.30 0.00 1.01 -1.25 0.24 121.20 127.42 2v47 s ILE 4 Ca 0.01 -3.19 0.07 0.00 0.00 0.00 0.00 60.65 57.53 2v47 s ILE 4 Cb -0.07 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2v47 s ILE 4 CO -0.11 -0.82 0.32 0.54 0.00 0.00 0.00 174.94 174.88 2v47 s VAL 5 N -0.20 4.17 -0.07 2.92 0.11 -0.99 -1.19 120.40 125.15 2v47 s VAL 5 Ca 0.17 -1.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.01 2v47 s VAL 5 Cb -0.24 -3.40 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 2v47 s VAL 5 CO -0.01 -0.24 -0.10 -1.59 -3.33 0.00 0.00 175.10 169.83 2v47 s LYS 6 N -4.00 1.53 0.01 1.54 0.00 -1.26 -0.67 119.74 116.89 2v47 s LYS 6 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 55.97 56.03 2v47 s LYS 6 Cb -0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 37.83 36.37 2v47 s LYS 6 CO 0.28 -0.07 -0.01 -0.08 0.00 0.00 0.00 175.35 175.47 2v47 s THR 7 N 0.98 0.05 -1.09 3.79 -1.32 -0.29 -4.69 115.64 113.08 2v47 s THR 7 Ca -0.09 -0.30 -0.05 0.00 -1.21 0.00 0.00 61.69 60.04 2v47 s THR 7 Cb -0.15 -0.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 2v47 s THR 7 CO 0.00 -0.16 0.94 0.61 -2.21 0.00 0.00 174.62 173.80 2v47 n GLY 8 N 2.60 -0.27 4.89 6.08 0.00 -1.26 -2.07 105.19 115.15 2v47 n GLY 8 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2v47 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2v47 n GLY 9 N -1.56 0.22 3.74 -0.02 0.00 -1.26 -4.89 105.19 101.43 2v47 n GLY 9 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2v47 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v47 s LYS 10 N 0.00 3.13 -0.01 1.61 1.02 -0.88 -5.09 119.74 119.52 2v47 s LYS 10 Ca 0.00 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 2v47 s LYS 10 Cb 0.00 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2v47 s LYS 10 CO 0.00 0.73 0.19 1.14 -0.92 0.00 0.00 175.35 176.49 2v47 s GLN 11 N -0.92 3.46 0.27 1.68 -2.07 -1.26 -1.14 119.66 119.68 2v47 s GLN 11 Ca 0.14 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.41 2v47 s GLN 11 Cb -0.12 -3.09 -0.04 0.00 -1.09 0.00 0.00 33.01 28.67 2v47 s GLN 11 CO 0.03 0.67 0.15 0.71 -1.32 0.00 0.00 175.29 175.53 2v47 s TYR 12 N -1.32 1.51 -0.15 9.60 2.02 0.16 -4.99 117.35 124.18 2v47 s TYR 12 Ca 0.27 -1.35 -0.04 0.00 -0.37 0.00 0.00 57.07 55.58 2v47 s TYR 12 Cb -0.13 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 2v47 s TYR 12 CO 0.18 -0.53 -0.01 0.50 -1.57 0.00 0.00 175.55 174.12 2v47 s ARG 13 N -3.91 3.64 0.40 -0.62 3.52 -1.24 -2.35 118.95 118.39 2v47 s ARG 13 Ca 0.37 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.59 2v47 s ARG 13 Cb 0.06 -2.97 -0.08 0.00 -1.56 0.00 0.00 34.95 30.40 2v47 s ARG 13 CO 0.16 0.33 -0.01 0.08 -0.81 0.00 0.00 175.30 175.05 2v47 s VAL 14 N 0.15 2.01 0.22 7.11 1.01 0.65 -4.95 120.40 126.61 2v47 s VAL 14 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 61.98 59.88 2v47 s VAL 14 Cb -0.13 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.34 2v47 s VAL 14 CO 0.02 -0.04 0.42 -0.62 0.00 0.00 0.00 175.10 174.88 2v47 n GLU 15 N -0.93 0.60 -1.80 2.72 1.02 -1.26 -3.11 120.64 117.88 2v47 n GLU 15 Ca -0.05 -1.36 -0.37 0.00 -0.02 0.00 0.00 57.16 55.36 2v47 n GLU 15 Cb 0.66 1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 33.65 2v47 n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2v47 s PRO 16 N -2.15 2.35 -0.09 3.49 0.04 -1.26 -4.45 135.00 132.94 2v47 s PRO 16 Ca 0.11 0.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 2v47 s PRO 16 Cb -0.02 -4.50 0.02 0.00 0.04 0.00 0.00 34.50 30.05 2v47 s PRO 16 CO 0.08 -3.03 0.13 0.41 0.04 0.00 0.00 177.00 174.63 2v47 n GLY 17 N 5.87 -3.52 1.64 0.56 0.00 -0.83 -4.99 105.19 103.92 2v47 n GLY 17 Ca 0.29 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.24 2v47 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2v47 n LEU 18 N 1.99 0.00 -0.45 0.99 -0.00 -1.26 -5.01 117.00 113.27 2v47 n LEU 18 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2v47 n LEU 18 Cb 0.33 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2v47 n LEU 18 CO 0.20 -0.41 0.00 1.17 -0.00 0.00 0.00 177.39 178.35 2v47 n LYS 19 N -2.23 0.00 0.06 1.47 3.00 -1.26 -4.83 118.16 114.37 2v47 n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2v47 n LYS 19 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 34.58 2v47 n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2v47 n LEU 20 N -2.38 -0.48 -3.95 3.14 4.32 -1.26 -4.95 117.00 111.45 2v47 n LEU 20 Ca 0.00 0.22 -0.09 0.00 -0.02 0.00 0.00 56.01 56.13 2v47 n LEU 20 Cb 0.15 0.59 -0.09 0.00 -1.62 0.00 0.00 43.42 42.45 2v47 n LEU 20 CO 0.00 -0.50 -0.22 -0.13 -1.22 0.00 0.00 177.39 175.32 2v47 s ARG 21 N -2.00 0.67 0.24 3.23 0.52 -1.26 -4.54 118.95 115.81 2v47 s ARG 21 Ca 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2v47 s ARG 21 Cb 0.00 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.73 2v47 s ARG 21 CO 0.00 -0.17 0.00 0.28 0.02 0.00 0.00 175.30 175.43 2v47 n VAL 22 N 0.35 0.36 0.00 3.52 0.31 -0.43 -4.84 118.33 117.59 2v47 n VAL 22 Ca -0.16 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2v47 n VAL 22 Cb 0.60 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2v47 n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2v47 n GLU 23 N -3.50 0.00 0.00 5.55 -0.58 -1.26 -4.55 120.64 116.30 2v47 n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2v47 n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2v47 n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2v47 n LYS 24 N 0.00 0.00 -4.24 3.49 4.81 -1.26 -4.84 118.16 116.12 2v47 n LYS 24 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 2v47 n LYS 24 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2v47 n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2v47 s LEU 25 N 0.00 1.53 -0.68 3.14 1.43 -1.26 -5.06 118.68 117.78 2v47 s LEU 25 Ca 0.00 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.42 2v47 s LEU 25 Cb 0.00 0.64 0.12 0.00 0.03 0.00 0.00 46.19 46.98 2v47 s LEU 25 CO 0.00 -1.05 2.57 0.47 0.23 0.00 0.00 176.35 178.57 2v47 n ASP 26 N -1.26 6.92 -1.94 2.29 8.00 -1.26 -4.43 116.55 124.87 2v47 n ASP 26 Ca 0.06 -3.31 -0.11 0.00 0.71 0.00 0.00 54.79 52.14 2v47 n ASP 26 Cb 0.63 -1.23 0.25 0.00 -0.02 0.00 0.00 41.12 40.75 2v47 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2v47 n ALA 27 N 0.78 4.84 0.00 2.24 0.00 -1.26 -4.95 120.51 122.15 2v47 n ALA 27 Ca 0.52 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 51.33 2v47 n ALA 27 Cb 0.44 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2v47 n ALA 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2v47 n GLU 28 N -0.62 0.00 -1.51 0.00 1.02 -1.26 -4.30 120.64 113.96 2v47 n GLU 28 Ca 0.46 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.28 2v47 n GLU 28 Cb 1.43 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.91 2v47 n GLU 28 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2v47 s PRO 29 N 0.00 2.64 -0.16 3.49 0.02 -1.26 -4.88 135.00 134.84 2v47 s PRO 29 Ca 0.00 1.16 0.02 0.00 0.02 0.00 0.00 61.00 62.20 2v47 s PRO 29 Cb 0.00 -1.94 0.25 0.00 0.02 0.00 0.00 34.50 32.82 2v47 s PRO 29 CO 0.00 -1.35 1.33 0.41 -0.33 0.00 0.00 177.00 177.06 2v47 n GLY 30 N -1.24 2.90 0.00 0.52 0.00 -1.26 -3.27 105.19 102.84 2v47 n GLY 30 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2v47 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2v47 n ALA 31 N -0.10 0.00 -0.38 4.61 0.00 -1.25 -2.24 120.51 121.16 2v47 n ALA 31 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 2v47 n ALA 31 Cb 0.93 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.60 2v47 n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2v47 n THR 32 N 0.00 0.00 -3.72 0.00 -1.04 -1.20 -4.67 114.28 103.64 2v47 n THR 32 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2v47 n THR 32 Cb 0.00 -0.75 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 2v47 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2v47 s VAL 33 N -1.95 -0.01 0.19 12.58 1.01 -1.24 -3.94 120.40 127.04 2v47 s VAL 33 Ca 0.51 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2v47 s VAL 33 Cb -0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2v47 s VAL 33 CO 0.43 0.01 0.03 -0.70 0.00 0.00 0.00 175.10 174.87 2v47 s GLU 34 N 0.63 1.18 -0.33 2.72 2.12 -1.25 -4.91 118.70 118.87 2v47 s GLU 34 Ca -0.03 -1.59 -0.04 0.00 0.36 0.00 0.00 54.97 53.67 2v47 s GLU 34 Cb -0.05 -0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.14 2v47 s GLU 34 CO -0.04 -0.18 0.07 -0.51 -0.54 0.00 0.00 175.26 174.06 2v47 s LEU 35 N -3.20 4.22 0.00 2.70 1.43 -1.26 -3.56 118.68 119.00 2v47 s LEU 35 Ca 0.28 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2v47 s LEU 35 Cb 0.06 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2v47 s LEU 35 CO 0.06 -0.32 0.00 -0.81 0.23 0.00 0.00 176.35 175.52 2v47 n PRO 36 N 4.71 0.00 -3.46 1.29 -0.04 -1.26 -4.92 135.00 131.33 2v47 n PRO 36 Ca -0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 2v47 n PRO 36 Cb 0.44 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2v47 n PRO 36 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2v47 n VAL 37 N 0.00 0.00 -3.63 0.52 0.31 -1.26 -4.72 118.33 109.55 2v47 n VAL 37 Ca 0.00 -1.23 -0.14 0.00 -0.01 0.00 0.00 64.34 62.96 2v47 n VAL 37 Cb 0.00 0.87 -0.06 0.00 -0.91 0.00 0.00 33.84 33.74 2v47 n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2v47 s LEU 38 N 0.00 0.18 0.00 7.52 0.20 -1.26 -4.02 118.68 121.30 2v47 s LEU 38 Ca 0.20 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.14 2v47 s LEU 38 Cb -0.02 1.91 0.00 0.00 -0.43 0.00 0.00 46.19 47.65 2v47 s LEU 38 CO 0.14 -0.67 0.89 0.18 -0.29 0.00 0.00 176.35 176.61 2v47 n LEU 39 N 0.55 1.62 -2.66 -0.68 7.99 -0.33 -3.72 117.00 119.76 2v47 n LEU 39 Ca -0.19 -1.62 -0.03 0.00 -0.01 0.00 0.00 56.01 54.17 2v47 n LEU 39 Cb 0.59 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.95 2v47 n LEU 39 CO 0.20 0.40 0.53 0.00 -1.51 0.00 0.00 177.39 177.02 2v47 n LEU 40 N -0.39 -1.26 0.00 2.23 -0.00 -1.24 -4.10 117.00 112.23 2v47 n LEU 40 Ca 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 2v47 n LEU 40 Cb 0.28 0.53 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 2v47 n LEU 40 CO 0.00 1.15 0.00 0.61 -0.00 0.00 0.00 177.39 179.15 2v47 n GLY 41 N 2.43 0.00 0.00 1.47 0.00 -0.23 -4.21 105.19 104.66 2v47 n GLY 41 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2v47 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2v47 n GLY 42 N 0.00 0.11 4.61 -0.02 0.00 -1.26 -4.26 105.19 104.36 2v47 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2v47 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2v47 n GLU 43 N 0.00 0.00 0.00 1.61 2.13 -1.26 -3.71 120.64 119.41 2v47 n GLU 43 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2v47 n GLU 43 Cb 0.00 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.04 2v47 n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2v47 n LYS 44 N -0.04 0.00 -1.26 5.31 4.81 -1.26 -2.76 118.16 122.96 2v47 n LYS 44 Ca 0.00 0.28 -0.27 0.00 -0.87 0.00 0.00 58.31 57.45 2v47 n LYS 44 Cb 0.00 -0.85 0.14 0.00 0.02 0.00 0.00 35.03 34.34 2v47 n LYS 44 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2v47 n THR 45 N -0.63 3.31 0.00 3.15 -1.04 -1.26 -4.79 114.28 113.02 2v47 n THR 45 Ca 0.00 -2.36 0.00 0.00 -2.04 0.00 0.00 64.05 59.65 2v47 n THR 45 Cb 0.00 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 2v47 n THR 45 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2v47 n VAL 46 N -1.06 0.00 0.00 12.58 0.31 -1.11 -5.10 118.33 123.95 2v47 n VAL 46 Ca 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 2v47 n VAL 46 Cb 1.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.21 2v47 n VAL 46 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2v47 n VAL 47 N 0.00 0.00 -2.31 2.52 3.14 -1.23 -4.83 118.33 115.61 2v47 n VAL 47 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 2v47 n VAL 47 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2v47 n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2v47 n GLY 48 N -0.10 -4.55 2.79 7.55 0.00 -1.26 -4.41 105.19 105.20 2v47 n GLY 48 Ca 0.00 1.07 -0.26 0.00 0.00 0.00 0.00 46.02 46.84 2v47 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2v47 s THR 49 N -0.61 0.58 0.00 2.61 2.01 -1.26 -4.78 115.64 114.18 2v47 s THR 49 Ca -0.18 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2v47 s THR 49 Cb 0.01 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2v47 s THR 49 CO 0.58 0.09 0.00 -0.81 -0.69 0.00 0.00 174.62 173.79 2v47 n PRO 50 N 5.06 0.00 -0.92 4.92 -0.04 -1.26 -1.07 135.00 141.69 2v47 n PRO 50 Ca -0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2v47 n PRO 50 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 2v47 n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2v47 n VAL 51 N 0.00 -1.02 -1.65 0.52 0.31 -1.26 -3.40 118.33 111.83 2v47 n VAL 51 Ca 0.00 0.70 -0.52 0.00 -0.01 0.00 0.00 64.34 64.51 2v47 n VAL 51 Cb 0.00 -1.11 -0.06 0.00 -0.91 0.00 0.00 33.84 31.76 2v47 n VAL 51 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2v47 n VAL 52 N -3.02 0.17 0.00 2.52 0.31 -1.26 0.24 118.33 117.29 2v47 n VAL 52 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2v47 n VAL 52 Cb 0.38 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2v47 n VAL 52 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2v47 n GLU 53 N 4.10 0.00 -3.06 5.55 4.07 -1.26 -3.19 120.64 126.85 2v47 n GLU 53 Ca 0.21 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 57.10 2v47 n GLU 53 Cb 0.20 -3.50 0.01 0.00 -0.06 0.00 0.00 31.44 28.08 2v47 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2v47 n GLY 54 N -1.29 -0.50 3.43 8.31 0.00 0.14 -4.15 105.19 111.13 2v47 n GLY 54 Ca 0.00 0.08 -0.51 0.00 0.00 0.00 0.00 46.02 45.59 2v47 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2v47 n ALA 55 N -3.25 1.02 -0.36 4.61 0.00 -1.19 -4.65 120.51 116.69 2v47 n ALA 55 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2v47 n ALA 55 Cb 0.58 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2v47 n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2v47 n SER 56 N 9.79 0.00 0.00 0.00 3.41 -1.26 -4.99 113.62 120.57 2v47 n SER 56 Ca 0.42 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2v47 n SER 56 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2v47 n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2v47 n VAL 57 N 0.00 0.00 -0.69 -3.33 0.31 -1.26 -4.80 118.33 108.55 2v47 n VAL 57 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2v47 n VAL 57 Cb 0.03 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 2v47 n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2v47 n VAL 58 N -2.00 2.16 0.00 2.52 0.31 -1.26 -4.81 118.33 115.25 2v47 n VAL 58 Ca 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.16 2v47 n VAL 58 Cb 0.00 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 2v47 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2v47 n ALA 59 N 3.17 0.00 -2.47 3.52 0.00 -1.26 -4.80 120.51 118.67 2v47 n ALA 59 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 2v47 n ALA 59 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2v47 n ALA 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2v47 s GLU 60 N 0.00 1.00 1.33 0.00 8.01 -1.26 -4.11 118.70 123.68 2v47 s GLU 60 Ca 0.00 -1.23 -0.19 0.00 0.01 0.00 0.00 54.97 53.57 2v47 s GLU 60 Cb 0.00 0.32 0.34 0.00 -4.31 0.00 0.00 34.13 30.48 2v47 s GLU 60 CO 0.00 -0.33 0.96 0.08 0.01 0.00 0.00 175.26 175.98 2v47 s VAL 61 N -3.97 1.53 -0.46 2.63 1.01 -0.77 -4.07 120.40 116.30 2v47 s VAL 61 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2v47 s VAL 61 Cb 0.05 -2.04 0.31 0.00 0.00 0.00 0.00 36.38 34.70 2v47 s VAL 61 CO -0.02 0.00 1.04 0.18 0.00 0.00 0.00 175.10 176.30 2v47 n LEU 62 N -5.41 -2.10 -4.90 3.92 4.77 -1.23 -4.10 117.00 107.95 2v47 n LEU 62 Ca 0.08 -3.78 -0.29 0.00 -0.03 0.00 0.00 56.01 51.98 2v47 n LEU 62 Cb 0.58 0.90 0.08 0.00 -2.33 0.00 0.00 43.42 42.64 2v47 n LEU 62 CO 0.49 2.09 0.77 -0.83 -1.33 0.00 0.00 177.39 178.58 2v47 s GLY 63 N -1.44 1.60 0.00 -0.72 0.00 -1.25 -3.64 107.32 101.88 2v47 s GLY 63 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2v47 s GLY 63 CO -0.08 -0.12 0.00 -2.39 0.00 0.00 0.00 173.10 170.50 2v47 n HIS 64 N -3.22 0.00 -1.33 1.90 -0.00 -1.25 0.11 115.22 111.42 2v47 n HIS 64 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.42 2v47 n HIS 64 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.57 2v47 n HIS 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2v47 n GLY 65 N 0.00 3.93 3.72 -1.39 0.00 -0.95 -3.74 105.19 106.76 2v47 n GLY 65 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2v47 n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2v47 s ARG 66 N 3.01 -0.25 0.00 1.61 1.04 -1.25 -4.85 118.95 118.26 2v47 s ARG 66 Ca 0.56 -0.07 0.00 0.00 -1.04 0.00 0.00 55.73 55.18 2v47 s ARG 66 Cb 0.15 -1.71 0.00 0.00 -2.04 0.00 0.00 34.95 31.35 2v47 s ARG 66 CO -0.05 -3.07 0.64 0.41 -0.04 0.00 0.00 175.30 173.20 2v47 n GLY 67 N -1.93 0.86 1.84 3.88 0.00 -1.26 -4.82 105.19 103.76 2v47 n GLY 67 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2v47 n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2v47 n LYS 68 N 0.00 -2.15 -0.97 1.61 2.85 -1.23 -4.81 118.16 113.47 2v47 n LYS 68 Ca -0.07 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.85 2v47 n LYS 68 Cb 0.56 -4.05 0.03 0.00 -0.65 0.00 0.00 35.03 30.92 2v47 n LYS 68 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2v47 n LYS 69 N -1.82 0.00 0.00 -1.58 3.00 -1.26 -3.54 118.16 112.96 2v47 n LYS 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2v47 n LYS 69 Cb 0.29 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.40 2v47 n LYS 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2v47 n ILE 70 N -2.10 0.00 0.00 3.15 -5.35 -1.26 -3.59 119.36 110.21 2v47 n ILE 70 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2v47 n ILE 70 Cb 0.50 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 2v47 n ILE 70 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2v47 n LEU 71 N 0.00 0.00 0.00 7.28 -0.00 -0.81 -4.90 117.00 118.57 2v47 n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2v47 n LEU 71 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2v47 n LEU 71 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 2v47 n VAL 72 N -0.24 0.00 0.00 1.96 0.31 -1.26 -3.60 118.33 115.49 2v47 n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2v47 n VAL 72 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 2v47 n VAL 72 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2v47 n SER 73 N -2.82 0.00 -0.91 4.52 3.41 -1.26 -4.57 113.62 112.00 2v47 n SER 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2v47 n SER 73 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2v47 n SER 73 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2v47 n LYS 74 N 0.00 -2.58 -3.80 4.33 5.02 -1.23 -4.94 118.16 114.96 2v47 n LYS 74 Ca 0.00 1.90 -0.28 0.00 -2.02 0.00 0.00 58.31 57.91 2v47 n LYS 74 Cb 0.00 -2.13 -0.12 0.00 -0.02 0.00 0.00 35.03 32.77 2v47 n LYS 74 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2v47 s PHE 75 N -2.39 2.98 -0.75 2.13 0.40 0.14 -4.93 117.98 115.56 2v47 s PHE 75 Ca 0.00 -3.08 -0.08 0.00 -0.60 0.00 0.00 56.93 53.17 2v47 s PHE 75 Cb 0.00 -2.34 -0.17 0.00 0.51 0.00 0.00 43.02 41.02 2v47 s PHE 75 CO 0.00 -0.63 3.18 1.63 0.70 0.00 0.00 175.22 180.10 2v47 n LYS 76 N 2.33 2.69 -1.85 0.44 5.02 -1.26 -4.02 118.16 121.51 2v47 n LYS 76 Ca 0.20 -1.52 -0.42 0.00 -2.02 0.00 0.00 58.31 54.55 2v47 n LYS 76 Cb 0.37 -2.36 -0.03 0.00 -0.02 0.00 0.00 35.03 32.99 2v47 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2v47 s ALA 77 N 1.69 3.73 0.04 7.82 0.00 -1.25 -4.91 121.76 128.87 2v47 s ALA 77 Ca 0.65 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.94 2v47 s ALA 77 Cb 0.24 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2v47 s ALA 77 CO -0.03 -1.11 -0.06 0.21 0.00 0.00 0.00 175.76 174.77 2v47 s LYS 78 N 2.49 0.47 0.00 0.00 2.36 -1.26 -2.95 119.74 120.84 2v47 s LYS 78 Ca 0.76 -0.76 0.00 0.00 -2.55 0.00 0.00 55.97 53.42 2v47 s LYS 78 Cb -0.43 -0.11 0.00 0.00 -1.05 0.00 0.00 37.83 36.24 2v47 s LYS 78 CO 0.34 0.00 0.00 0.28 1.55 0.00 0.00 175.35 177.52 2v47 n VAL 79 N 1.36 0.00 0.00 4.02 0.31 -1.21 -5.10 118.33 117.71 2v47 n VAL 79 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2v47 n VAL 79 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2v47 n VAL 79 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2v47 n GLN 80 N 0.00 0.00 0.00 5.55 -0.06 -1.26 -4.91 117.38 116.70 2v47 n GLN 80 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2v47 n GLN 80 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2v47 n GLN 80 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2v47 n TYR 81 N 0.00 0.00 0.00 3.69 4.02 -1.26 -5.08 117.16 118.54 2v47 n TYR 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2v47 n TYR 81 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2v47 n TYR 81 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2v47 n ARG 82 N 0.00 0.00 -4.41 -0.72 0.00 -1.26 -5.17 116.66 105.10 2v47 n ARG 82 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2v47 n ARG 82 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 2v47 n ARG 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2v47 s ARG 83 N 0.00 1.98 -0.45 -0.14 0.52 -1.26 -3.29 118.95 116.31 2v47 s ARG 83 Ca 0.00 -1.80 0.06 0.00 -0.52 0.00 0.00 55.73 53.48 2v47 s ARG 83 Cb 0.00 -1.86 0.33 0.00 0.52 0.00 0.00 34.95 33.94 2v47 s ARG 83 CO 0.00 0.16 1.16 1.17 0.02 0.00 0.00 175.30 177.81 2v47 n LYS 84 N -0.88 1.02 0.21 3.54 3.00 -1.15 -4.93 118.16 118.96 2v47 n LYS 84 Ca -0.05 -1.88 0.15 0.00 -0.00 0.00 0.00 58.31 56.54 2v47 n LYS 84 Cb 0.62 -0.87 0.65 0.00 0.00 0.00 0.00 35.03 35.43 2v47 n LYS 84 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2v47 h LYS 85 N 2.83 0.00 -4.10 1.64 3.64 -1.82 -3.34 116.57 115.42 2v47 h LYS 85 Ca -0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2v47 h LYS 85 Cb 1.13 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2v47 h LYS 85 CO 0.10 0.00 0.93 0.41 -2.27 0.00 0.00 179.45 178.61 2v47 n GLY 86 N -0.25 1.37 3.15 5.01 0.00 -1.26 -4.21 105.19 108.98 2v47 n GLY 86 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.98 2v47 n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2v47 s HIS 87 N 4.76 -1.33 -0.19 1.61 3.76 -1.26 -5.00 115.29 117.63 2v47 s HIS 87 Ca 0.06 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 2v47 s HIS 87 Cb 0.01 0.45 0.02 0.00 1.11 0.00 0.00 32.58 34.17 2v47 s HIS 87 CO 0.03 -0.73 -0.17 0.50 -0.85 0.00 0.00 174.74 173.52 2v47 s ARG 88 N 2.88 2.98 -0.27 1.40 3.52 -1.26 0.24 118.95 128.44 2v47 s ARG 88 Ca 0.15 -0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 2v47 s ARG 88 Cb -0.13 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.56 2v47 s ARG 88 CO -0.19 -0.24 0.12 -1.14 -0.81 0.00 0.00 175.30 173.04 2v47 s GLN 89 N 1.30 3.68 -0.19 5.12 2.00 -1.26 -4.91 119.66 125.40 2v47 s GLN 89 Ca 0.04 -0.48 0.14 0.00 -2.00 0.00 0.00 55.36 53.06 2v47 s GLN 89 Cb -0.14 -3.48 -0.22 0.00 0.80 0.00 0.00 33.01 29.97 2v47 s GLN 89 CO -0.11 -0.23 0.02 -0.35 -0.50 0.00 0.00 175.29 174.12 2v47 n PRO 90 N 4.98 0.88 -1.90 1.67 -0.04 -1.24 -4.15 135.00 135.20 2v47 n PRO 90 Ca -0.15 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2v47 n PRO 90 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2v47 n PRO 90 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2v47 n TYR 91 N -2.78 -4.95 -1.39 0.54 9.36 -1.26 -1.92 117.16 114.77 2v47 n TYR 91 Ca -0.33 2.59 -0.35 0.00 3.32 0.00 0.00 57.90 63.13 2v47 n TYR 91 Cb 1.09 -3.76 0.09 0.00 -0.63 0.00 0.00 39.34 36.13 2v47 n TYR 91 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2v47 n THR 92 N 0.23 3.14 -4.17 2.97 -2.24 -1.26 -4.26 114.28 108.68 2v47 n THR 92 Ca 0.00 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2v47 n THR 92 Cb 0.00 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 66.92 2v47 n THR 92 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2v47 s GLU 93 N -3.51 0.88 -0.27 -0.78 2.12 -1.23 -4.73 118.70 111.17 2v47 s GLU 93 Ca 0.76 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2v47 s GLU 93 Cb -0.34 -0.03 0.15 0.00 0.26 0.00 0.00 34.13 34.17 2v47 s GLU 93 CO 0.48 -0.12 0.41 -1.17 -0.54 0.00 0.00 175.26 174.32 2v47 s LEU 94 N -3.05 -0.79 -1.25 2.70 0.20 -1.26 -3.53 118.68 111.69 2v47 s LEU 94 Ca 0.17 -0.09 -0.14 0.00 0.69 0.00 0.00 54.13 54.76 2v47 s LEU 94 Cb 0.07 1.20 0.14 0.00 -0.43 0.00 0.00 46.19 47.17 2v47 s LEU 94 CO -0.02 -0.33 1.61 -0.11 -0.29 0.00 0.00 176.35 177.21 2v47 n LEU 95 N 5.36 5.47 -4.72 -0.68 7.94 -1.26 -1.32 117.00 127.79 2v47 n LEU 95 Ca -0.01 -4.37 -0.29 0.00 -1.11 0.00 0.00 56.01 50.23 2v47 n LEU 95 Cb 0.50 -1.63 0.18 0.00 0.53 0.00 0.00 43.42 43.01 2v47 n LEU 95 CO 0.01 0.73 0.69 -0.63 -1.11 0.00 0.00 177.39 177.08 2v47 s ILE 96 N 1.99 1.88 -0.39 1.96 1.01 -1.26 -3.30 121.20 123.08 2v47 s ILE 96 Ca 0.45 0.00 0.06 0.00 0.00 0.00 0.00 60.65 61.16 2v47 s ILE 96 Cb 0.01 -2.65 0.31 0.00 0.01 0.00 0.00 42.46 40.14 2v47 s ILE 96 CO 0.01 0.00 1.25 1.17 0.00 0.00 0.00 174.94 177.37 2v47 n LYS 97 N -4.16 0.87 -0.87 2.79 3.00 0.30 -4.45 118.16 115.63 2v47 n LYS 97 Ca 0.09 -1.54 -0.31 0.00 -0.00 0.00 0.00 58.31 56.55 2v47 n LYS 97 Cb 0.59 -0.30 0.06 0.00 0.00 0.00 0.00 35.03 35.38 2v47 n LYS 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2v47 n GLU 98 N -0.23 -0.48 0.00 1.64 0.00 -1.26 -3.78 120.64 116.53 2v47 n GLU 98 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2v47 n GLU 98 Cb 0.77 -1.17 0.00 0.00 0.00 0.00 0.00 31.44 31.04 2v47 n GLU 98 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2v47 n ILE 99 N -3.68 0.00 -2.67 3.84 2.08 -1.26 -1.97 119.36 115.71 2v47 n ILE 99 Ca -0.01 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.04 2v47 n ILE 99 Cb 0.60 -0.02 0.01 0.00 -0.75 0.00 0.00 39.64 39.48 2v47 n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2v47 s ARG 100 N 0.00 3.27 0.00 0.38 1.70 -1.26 -4.28 118.95 118.76 2v47 s ARG 100 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 2v47 s ARG 100 Cb 0.00 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 2v47 s ARG 100 CO 0.00 -0.35 0.41 0.41 -1.08 0.00 0.00 175.30 174.69