#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v48 s LYS 3 N 0.00 2.21 0.28 0.54 1.02 -1.26 -4.89 119.74 117.64 2v48 s LYS 3 Ca 0.00 0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.93 2v48 s LYS 3 Cb 0.00 -4.92 -0.10 0.00 -0.52 0.00 0.00 37.83 32.29 2v48 s LYS 3 CO 0.00 -3.73 0.01 1.17 -0.92 0.00 0.00 175.35 171.88 2v48 n LYS 4 N 8.86 0.00 -4.08 1.68 3.00 -1.26 -4.18 118.16 122.19 2v48 n LYS 4 Ca 0.42 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.55 2v48 n LYS 4 Cb 0.46 -0.63 -0.16 0.00 0.00 0.00 0.00 35.03 34.70 2v48 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2v48 s VAL 5 N -1.13 0.37 0.53 3.15 1.01 -1.25 -1.35 120.40 121.73 2v48 s VAL 5 Ca 0.37 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2v48 s VAL 5 Cb -0.37 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2v48 s VAL 5 CO 0.40 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 175.03 2v48 s LEU 6 N 0.74 2.32 -0.27 3.92 1.43 0.13 -4.87 118.68 122.08 2v48 s LEU 6 Ca -0.09 -1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 51.28 2v48 s LEU 6 Cb -0.12 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.37 2v48 s LEU 6 CO -0.01 -0.98 0.66 -0.89 0.23 0.00 0.00 176.35 175.36 2v48 s THR 7 N -2.88 -0.07 0.00 5.49 2.01 -1.26 0.78 115.64 119.72 2v48 s THR 7 Ca 0.10 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2v48 s THR 7 Cb -0.00 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.55 2v48 s THR 7 CO 0.06 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2v48 n GLY 8 N 4.39 2.70 4.00 4.40 0.00 -1.19 -4.57 105.19 114.92 2v48 n GLY 8 Ca -0.20 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 2v48 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2v48 s VAL 9 N -2.92 2.50 0.02 1.61 1.01 -0.57 -2.68 120.40 119.37 2v48 s VAL 9 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2v48 s VAL 9 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2v48 s VAL 9 CO 0.00 0.00 0.28 -0.69 0.00 0.00 0.00 175.10 174.69 2v48 s VAL 10 N -2.72 5.27 0.00 2.92 1.01 -0.50 -2.46 120.40 123.93 2v48 s VAL 10 Ca 0.60 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2v48 s VAL 10 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2v48 s VAL 10 CO 0.38 0.36 0.32 1.33 0.00 0.00 0.00 175.10 177.49 2v48 n VAL 11 N 1.10 0.00 -3.15 2.92 0.24 -0.97 -3.46 118.33 115.01 2v48 n VAL 11 Ca -0.11 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.24 2v48 n VAL 11 Cb 0.53 0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 2v48 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2v48 s SER 12 N 0.00 -0.49 0.00 -1.34 0.15 -1.26 -4.92 113.70 105.84 2v48 s SER 12 Ca 0.00 0.14 0.21 0.00 0.70 0.00 0.00 55.95 57.00 2v48 s SER 12 Cb 0.00 1.34 -0.10 0.00 -1.71 0.00 0.00 66.02 65.55 2v48 s SER 12 CO 0.00 -0.09 0.98 -0.90 1.20 0.00 0.00 173.24 174.43 2v48 n ASP 13 N 5.26 1.56 -3.59 5.45 5.75 -1.26 -2.21 116.55 127.50 2v48 n ASP 13 Ca 0.03 -1.28 -0.42 0.00 -0.01 0.00 0.00 54.79 53.11 2v48 n ASP 13 Cb 0.56 0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 41.30 2v48 n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2v48 n LYS 14 N -0.66 1.54 -3.73 0.11 5.02 -1.26 -4.76 118.16 114.42 2v48 n LYS 14 Ca 0.07 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 2v48 n LYS 14 Cb 0.40 -2.89 -0.00 0.00 -0.02 0.00 0.00 35.03 32.52 2v48 n LYS 14 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2v48 s MET 15 N 4.89 0.65 -0.15 1.97 1.75 -1.26 -5.11 119.30 122.04 2v48 s MET 15 Ca 0.56 -0.38 -0.13 0.00 -1.25 0.00 0.00 55.69 54.49 2v48 s MET 15 Cb 0.14 0.21 -0.05 0.00 2.84 0.00 0.00 34.83 37.98 2v48 s MET 15 CO 0.11 -0.30 0.28 -0.65 -0.65 0.00 0.00 175.02 173.80 2v48 s GLN 16 N -2.51 4.18 -0.37 4.11 -0.21 -1.26 -4.45 119.66 119.16 2v48 s GLN 16 Ca 0.17 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.62 2v48 s GLN 16 Cb 0.02 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.63 2v48 s GLN 16 CO -0.01 0.31 0.00 1.63 -2.12 0.00 0.00 175.29 175.09 2v48 n LYS 17 N 3.36 -1.49 -4.17 2.91 5.02 -1.26 -4.86 118.16 117.69 2v48 n LYS 17 Ca -0.13 0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2v48 n LYS 17 Cb 0.52 -3.94 -0.10 0.00 -0.02 0.00 0.00 35.03 31.49 2v48 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2v48 s THR 18 N -1.00 0.29 -0.10 -0.18 2.01 -1.24 -1.58 115.64 113.84 2v48 s THR 18 Ca 0.00 -1.92 -0.20 0.00 0.31 0.00 0.00 61.69 59.88 2v48 s THR 18 Cb 0.00 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.58 2v48 s THR 18 CO 0.00 -0.55 0.49 0.68 -0.69 0.00 0.00 174.62 174.55 2v48 s VAL 19 N -3.91 0.02 0.24 3.82 -7.23 1.00 -4.60 120.40 109.73 2v48 s VAL 19 Ca 0.21 -0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 2v48 s VAL 19 Cb 0.07 -0.76 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 2v48 s VAL 19 CO 0.01 -0.08 0.65 -0.89 -0.31 0.00 0.00 175.10 174.47 2v48 s THR 20 N -0.64 4.74 -0.27 5.32 2.01 -0.94 0.97 115.64 126.84 2v48 s THR 20 Ca -0.07 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 2v48 s THR 20 Cb -0.03 -3.70 0.12 0.00 0.01 0.00 0.00 72.50 68.89 2v48 s THR 20 CO 0.04 0.03 0.23 -0.69 -0.69 0.00 0.00 174.62 173.55 2v48 s VAL 21 N -1.72 -0.29 0.28 3.82 1.01 0.85 -2.30 120.40 122.07 2v48 s VAL 21 Ca 0.46 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2v48 s VAL 21 Cb -0.13 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 2v48 s VAL 21 CO 0.19 -0.49 1.24 -0.22 0.00 0.00 0.00 175.10 175.82 2v48 s LEU 22 N 2.28 4.47 -0.14 3.92 2.96 -1.03 0.42 118.68 131.56 2v48 s LEU 22 Ca 0.09 2.48 -0.02 0.00 -0.22 0.00 0.00 54.13 56.46 2v48 s LEU 22 Cb -0.15 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 42.95 2v48 s LEU 22 CO -0.30 -0.40 0.02 -0.69 -1.32 0.00 0.00 176.35 173.66 2v48 s VAL 23 N -0.87 0.44 0.49 1.68 1.01 0.11 -1.51 120.40 121.75 2v48 s VAL 23 Ca 0.49 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2v48 s VAL 23 Cb -0.36 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2v48 s VAL 23 CO 0.46 0.01 0.76 -1.61 0.00 0.00 0.00 175.10 174.73 2v48 s GLU 24 N 1.92 3.22 0.08 2.72 2.02 -1.26 -2.89 118.70 124.50 2v48 s GLU 24 Ca 0.02 -0.11 -0.05 0.00 0.02 0.00 0.00 54.97 54.86 2v48 s GLU 24 Cb -0.15 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.68 2v48 s GLU 24 CO -0.07 -0.34 0.23 2.89 0.02 0.00 0.00 175.26 178.00 2v48 n ARG 25 N -2.26 0.25 -3.73 1.61 1.85 -1.11 -4.97 116.66 108.30 2v48 n ARG 25 Ca 0.01 -0.51 -0.01 0.00 -1.00 0.00 0.00 57.85 56.34 2v48 n ARG 25 Cb 0.57 0.65 -0.00 0.00 -1.05 0.00 0.00 32.46 32.63 2v48 n ARG 25 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2v48 s GLN 26 N -2.02 0.86 0.00 2.89 -2.07 -1.26 -3.38 119.66 114.68 2v48 s GLN 26 Ca 0.05 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 2v48 s GLN 26 Cb -0.01 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2v48 s GLN 26 CO 0.02 -0.40 0.00 1.97 -1.32 0.00 0.00 175.29 175.57 2v48 n PHE 27 N -0.53 0.00 -3.41 9.60 1.16 -0.74 -4.98 117.46 118.55 2v48 n PHE 27 Ca -0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.14 2v48 n PHE 27 Cb 0.61 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.42 2v48 n PHE 27 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2v48 s PRO 28 N -1.83 4.16 0.23 3.97 0.02 -1.26 -0.69 135.00 139.60 2v48 s PRO 28 Ca 0.00 0.40 -0.31 0.00 0.02 0.00 0.00 61.00 61.12 2v48 s PRO 28 Cb 0.00 -3.34 -0.14 0.00 0.02 0.00 0.00 34.50 31.04 2v48 s PRO 28 CO 0.00 0.40 1.23 1.58 -0.33 0.00 0.00 177.00 179.88 2v48 n HIS 29 N 2.84 1.68 0.05 6.54 -0.00 -0.89 -4.67 115.22 120.77 2v48 n HIS 29 Ca -0.11 0.58 0.20 0.00 -0.00 0.00 0.00 57.72 58.40 2v48 n HIS 29 Cb 0.52 -2.35 0.73 0.00 -0.00 0.00 0.00 29.99 28.89 2v48 n HIS 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2v48 h PRO 30 N 3.33 0.00 0.00 1.57 0.13 -1.94 0.22 132.00 135.31 2v48 h PRO 30 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2v48 h PRO 30 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2v48 h PRO 30 CO 0.70 0.00 -0.89 -0.11 -0.23 0.00 0.00 178.00 177.46 2v48 n LEU 31 N -4.12 0.15 -0.46 1.56 7.94 -1.26 -4.75 117.00 116.06 2v48 n LEU 31 Ca 0.08 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.04 2v48 n LEU 31 Cb 0.57 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.57 2v48 n LEU 31 CO 0.33 0.03 0.42 -1.22 -1.11 0.00 0.00 177.39 175.84 2v48 n TYR 32 N -1.87 0.00 -0.06 1.96 0.53 -1.22 -4.98 117.16 111.51 2v48 n TYR 32 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2v48 n TYR 32 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 2v48 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2v48 n GLY 33 N 0.69 0.00 3.60 2.72 0.00 0.78 -4.72 105.19 108.26 2v48 n GLY 33 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2v48 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2v48 n LYS 34 N 0.51 0.93 -2.04 1.61 4.81 -1.26 -3.54 118.16 119.18 2v48 n LYS 34 Ca 0.00 0.36 -0.42 0.00 -0.87 0.00 0.00 58.31 57.37 2v48 n LYS 34 Cb 0.02 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 32.95 2v48 n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2v48 s VAL 35 N -1.50 3.63 -0.01 3.15 1.01 -1.26 -2.10 120.40 123.32 2v48 s VAL 35 Ca 0.73 0.75 0.07 0.00 0.00 0.00 0.00 61.98 63.52 2v48 s VAL 35 Cb -0.44 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2v48 s VAL 35 CO 0.50 -0.13 -0.21 0.27 0.00 0.00 0.00 175.10 175.53 2v48 s ILE 36 N 4.45 1.65 0.33 2.22 -4.36 0.13 -4.97 121.20 120.65 2v48 s ILE 36 Ca 0.73 -0.92 0.08 0.00 -0.26 0.00 0.00 60.65 60.28 2v48 s ILE 36 Cb -0.30 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 2v48 s ILE 36 CO 0.29 0.44 0.12 -0.54 0.24 0.00 0.00 174.94 175.49 2v48 s LYS 37 N -0.56 2.35 0.00 0.37 1.02 -1.26 -1.80 119.74 119.87 2v48 s LYS 37 Ca 0.08 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.53 2v48 s LYS 37 Cb -0.08 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2v48 s LYS 37 CO -0.01 0.14 0.00 -2.13 -0.92 0.00 0.00 175.35 172.44 2v48 n ARG 38 N -1.11 -2.66 -2.96 1.68 0.63 -1.22 -5.01 116.66 106.02 2v48 n ARG 38 Ca -0.04 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.83 2v48 n ARG 38 Cb 0.61 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.54 2v48 n ARG 38 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2v48 n SER 39 N 0.00 -1.60 -3.65 6.15 3.41 -1.26 -2.73 113.62 113.93 2v48 n SER 39 Ca 0.00 -2.10 -0.11 0.00 -0.26 0.00 0.00 58.87 56.41 2v48 n SER 39 Cb 0.00 2.67 -0.05 0.00 -0.26 0.00 0.00 64.21 66.57 2v48 n SER 39 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2v48 s LYS 40 N -2.06 1.03 0.03 4.33 2.20 -1.14 -5.00 119.74 119.13 2v48 s LYS 40 Ca 0.11 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2v48 s LYS 40 Cb -0.03 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 2v48 s LYS 40 CO 0.08 -0.39 -0.12 0.15 -0.36 0.00 0.00 175.35 174.71 2v48 s LYS 41 N -3.62 2.30 0.05 4.03 1.02 -1.26 0.10 119.74 122.35 2v48 s LYS 41 Ca 0.02 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.21 2v48 s LYS 41 Cb 0.02 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2v48 s LYS 41 CO -0.11 0.56 -0.20 0.71 -0.92 0.00 0.00 175.35 175.40 2v48 s TYR 42 N -1.00 1.71 -0.61 3.18 1.51 0.17 -4.88 117.35 117.43 2v48 s TYR 42 Ca 0.17 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.65 2v48 s TYR 42 Cb -0.11 -1.01 0.09 0.00 -0.11 0.00 0.00 41.96 40.81 2v48 s TYR 42 CO 0.08 0.09 0.81 -0.51 -1.11 0.00 0.00 175.55 174.91 2v48 s LEU 43 N -1.24 4.92 0.17 -1.29 1.43 -1.26 -0.10 118.68 121.31 2v48 s LEU 43 Ca 0.06 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.82 2v48 s LEU 43 Cb -0.09 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 2v48 s LEU 43 CO 0.02 -1.23 0.59 0.00 0.23 0.00 0.00 176.35 175.96 2v48 s ALA 44 N 3.27 3.54 -0.54 4.21 0.00 0.27 -3.94 121.76 128.58 2v48 s ALA 44 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 2v48 s ALA 44 Cb -0.21 -2.59 0.06 0.00 0.00 0.00 0.00 23.12 20.38 2v48 s ALA 44 CO 0.09 0.43 0.75 -1.58 0.00 0.00 0.00 175.76 175.44 2v48 s HIS 45 N -1.50 2.94 -0.41 0.00 2.46 -0.76 -0.00 115.29 118.02 2v48 s HIS 45 Ca 0.40 -0.41 -0.05 0.00 0.47 0.00 0.00 55.06 55.47 2v48 s HIS 45 Cb -0.15 -3.79 0.10 0.00 -0.13 0.00 0.00 32.58 28.61 2v48 s HIS 45 CO 0.20 -1.19 0.22 0.34 -2.47 0.00 0.00 174.74 171.84 2v48 s ASP 46 N 2.87 5.38 0.00 9.88 3.68 -0.62 -2.50 116.67 135.36 2v48 s ASP 46 Ca 0.20 -1.84 0.13 0.00 2.13 0.00 0.00 52.55 53.16 2v48 s ASP 46 Cb -0.17 -1.88 0.52 0.00 -1.45 0.00 0.00 42.92 39.93 2v48 s ASP 46 CO 0.14 -0.54 1.37 -0.81 0.13 0.00 0.00 175.17 175.45 2v48 n PRO 47 N 4.71 1.44 -2.70 4.34 -0.04 -1.26 -3.70 135.00 137.78 2v48 n PRO 47 Ca -0.06 -0.67 -0.05 0.00 -0.04 0.00 0.00 63.50 62.69 2v48 n PRO 47 Cb 0.42 -1.25 0.10 0.00 -0.04 0.00 0.00 33.50 32.73 2v48 n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2v48 n GLU 48 N -0.04 1.32 -0.23 0.54 4.71 -1.26 -4.99 120.64 120.69 2v48 n GLU 48 Ca 0.11 -2.13 0.00 0.00 -0.01 0.00 0.00 57.16 55.13 2v48 n GLU 48 Cb 0.19 -0.33 0.00 0.00 -1.01 0.00 0.00 31.44 30.28 2v48 n GLU 48 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2v48 n GLU 49 N -0.80 -0.04 -0.38 3.49 1.02 -1.26 -4.58 120.64 118.10 2v48 n GLU 49 Ca -0.04 -0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 2v48 n GLU 49 Cb 0.85 0.04 0.26 0.00 -0.02 0.00 0.00 31.44 32.56 2v48 n GLU 49 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2v48 n LYS 50 N -0.05 3.10 -3.95 3.49 2.85 -1.26 -4.79 118.16 117.55 2v48 n LYS 50 Ca 0.00 -2.52 -0.29 0.00 -1.05 0.00 0.00 58.31 54.45 2v48 n LYS 50 Cb 0.00 -1.59 -0.16 0.00 -0.65 0.00 0.00 35.03 32.63 2v48 n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2v48 s TYR 51 N -1.51 2.08 0.38 5.58 1.51 -1.26 -5.08 117.35 119.04 2v48 s TYR 51 Ca 0.39 -1.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.07 2v48 s TYR 51 Cb 0.24 -1.49 0.08 0.00 -0.11 0.00 0.00 41.96 40.68 2v48 s TYR 51 CO 0.20 -0.68 0.52 1.63 -1.11 0.00 0.00 175.55 176.11 2v48 n LYS 52 N 4.77 -0.11 -2.93 -0.62 4.76 -1.26 -5.00 118.16 117.78 2v48 n LYS 52 Ca -0.14 -1.09 -0.32 0.00 -2.87 0.00 0.00 58.31 53.89 2v48 n LYS 52 Cb 0.47 -0.44 -0.06 0.00 -1.84 0.00 0.00 35.03 33.16 2v48 n LYS 52 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2v48 s LEU 53 N 0.00 3.95 0.00 -0.35 2.96 -1.26 -3.78 118.68 120.19 2v48 s LEU 53 Ca 0.32 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2v48 s LEU 53 Cb -0.01 -4.25 0.00 0.00 0.50 0.00 0.00 46.19 42.42 2v48 s LEU 53 CO 0.22 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 2v48 n GLY 54 N -0.71 0.50 3.95 7.98 0.00 -1.23 -4.85 105.19 110.84 2v48 n GLY 54 Ca 0.05 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2v48 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2v48 s ASP 55 N -2.40 5.67 -0.12 1.61 1.11 -1.25 -1.60 116.67 119.69 2v48 s ASP 55 Ca 0.00 0.25 0.03 0.00 0.18 0.00 0.00 52.55 53.01 2v48 s ASP 55 Cb 0.00 -1.38 0.01 0.00 1.07 0.00 0.00 42.92 42.62 2v48 s ASP 55 CO 0.00 -0.85 -0.20 -0.69 1.18 0.00 0.00 175.17 174.61 2v48 s VAL 56 N -2.65 1.88 0.04 -1.27 1.01 -0.77 -1.42 120.40 117.22 2v48 s VAL 56 Ca 0.51 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2v48 s VAL 56 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2v48 s VAL 56 CO 0.39 0.52 0.02 0.68 0.00 0.00 0.00 175.10 176.70 2v48 s VAL 57 N 0.71 0.15 0.37 2.92 -7.23 -1.09 -1.05 120.40 115.18 2v48 s VAL 57 Ca -0.11 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2v48 s VAL 57 Cb -0.16 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 2v48 s VAL 57 CO 0.02 -0.70 0.73 -1.61 -0.31 0.00 0.00 175.10 173.23 2v48 s GLU 58 N -2.73 3.80 -0.05 4.82 2.02 -1.02 -3.20 118.70 122.35 2v48 s GLU 58 Ca -0.04 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.41 2v48 s GLU 58 Cb -0.01 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.81 2v48 s GLU 58 CO -0.05 0.03 -0.08 0.42 0.02 0.00 0.00 175.26 175.60 2v48 s ILE 59 N -2.26 0.83 -0.06 -1.63 -1.09 0.23 -0.22 121.20 117.01 2v48 s ILE 59 Ca 0.51 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 2v48 s ILE 59 Cb -0.10 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.96 2v48 s ILE 59 CO 0.28 0.28 -0.04 -0.51 -1.23 0.00 0.00 174.94 173.73 2v48 s ILE 60 N 0.73 3.93 0.75 2.92 2.07 -1.11 0.22 121.20 130.70 2v48 s ILE 60 Ca -0.13 -0.44 -0.14 0.00 -1.41 0.00 0.00 60.65 58.54 2v48 s ILE 60 Cb -0.15 -2.64 0.05 0.00 0.13 0.00 0.00 42.46 39.85 2v48 s ILE 60 CO 0.02 0.57 1.18 -0.70 -1.91 0.00 0.00 174.94 174.10 2v48 s GLU 61 N -0.94 2.07 0.00 3.50 2.12 -0.46 -2.23 118.70 122.77 2v48 s GLU 61 Ca 0.14 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.14 2v48 s GLU 61 Cb -0.11 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.44 2v48 s GLU 61 CO 0.03 -1.87 0.00 0.43 -0.54 0.00 0.00 175.26 173.31 2v48 n SER 62 N -2.92 0.00 -4.79 -1.70 7.64 -0.46 -4.71 113.62 106.68 2v48 n SER 62 Ca 0.13 -0.78 -0.39 0.00 1.01 0.00 0.00 58.87 58.84 2v48 n SER 62 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2v48 n SER 62 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2v48 s ARG 63 N -1.34 4.21 0.50 1.43 3.00 -1.26 -4.82 118.95 120.67 2v48 s ARG 63 Ca 0.00 0.68 -0.19 0.00 -1.00 0.00 0.00 55.73 55.22 2v48 s ARG 63 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 34.95 31.55 2v48 s ARG 63 CO 0.00 0.53 0.27 -2.30 0.00 0.00 0.00 175.30 173.80 2v48 n PRO 64 N 2.16 0.30 0.00 5.12 -0.02 -1.26 -4.83 135.00 136.46 2v48 n PRO 64 Ca -0.10 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2v48 n PRO 64 Cb 0.51 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2v48 n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2v48 n ILE 65 N -1.38 0.00 0.00 4.25 -0.00 -0.90 -4.99 119.36 116.34 2v48 n ILE 65 Ca 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 2v48 n ILE 65 Cb 0.45 0.53 0.00 0.00 -0.00 0.00 0.00 39.64 40.62 2v48 n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2v48 n SER 66 N -0.92 0.00 -4.62 4.38 3.41 -1.21 -5.01 113.62 109.65 2v48 n SER 66 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2v48 n SER 66 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 2v48 n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2v48 n LYS 67 N -0.08 -0.16 0.00 4.33 4.81 -1.26 -1.01 118.16 124.79 2v48 n LYS 67 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2v48 n LYS 67 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.77 2v48 n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2v48 n ARG 68 N -3.28 0.00 -3.87 1.64 3.00 -1.26 -4.87 116.66 108.02 2v48 n ARG 68 Ca 0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.61 2v48 n ARG 68 Cb 0.52 -3.00 -0.13 0.00 0.00 0.00 0.00 32.46 29.85 2v48 n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2v48 s LYS 69 N 0.00 3.56 0.00 -0.14 2.20 -0.18 -4.68 119.74 120.50 2v48 s LYS 69 Ca 0.00 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2v48 s LYS 69 Cb 0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2v48 s LYS 69 CO 0.00 -0.15 0.00 0.54 -0.36 0.00 0.00 175.35 175.38 2v48 n ARG 70 N 4.73 3.27 -4.33 4.03 3.00 -1.26 -2.12 116.66 123.98 2v48 n ARG 70 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.32 2v48 n ARG 70 Cb 0.51 -0.28 -0.10 0.00 0.00 0.00 0.00 32.46 32.59 2v48 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2v48 s PHE 71 N -0.03 3.14 0.05 -1.55 2.99 -1.25 -1.35 117.98 119.99 2v48 s PHE 71 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 56.93 56.97 2v48 s PHE 71 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 43.02 41.11 2v48 s PHE 71 CO 0.00 0.33 0.26 1.03 -0.00 0.00 0.00 175.22 176.84 2v48 s ARG 72 N -0.47 3.53 0.03 0.44 0.52 -0.95 -1.82 118.95 120.23 2v48 s ARG 72 Ca 0.08 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 2v48 s ARG 72 Cb -0.12 -3.01 -0.08 0.00 0.52 0.00 0.00 34.95 32.25 2v48 s ARG 72 CO 0.02 0.60 1.89 0.08 0.02 0.00 0.00 175.30 177.91 2v48 s VAL 73 N -1.46 3.07 0.00 3.52 1.01 -1.04 -2.77 120.40 122.73 2v48 s VAL 73 Ca 0.33 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2v48 s VAL 73 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2v48 s VAL 73 CO 0.22 -0.01 0.00 -0.11 0.00 0.00 0.00 175.10 175.20 2v48 n LEU 74 N 7.24 0.00 -3.81 3.92 -0.00 0.70 -4.88 117.00 120.17 2v48 n LEU 74 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.08 2v48 n LEU 74 Cb 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.73 2v48 n LEU 74 CO 0.67 0.00 -0.07 0.00 -0.00 0.00 0.00 177.39 177.98 2v48 s ARG 75 N 0.00 0.51 0.64 1.96 1.70 -1.25 -4.96 118.95 117.56 2v48 s ARG 75 Ca 0.00 -0.12 -0.18 0.00 -0.47 0.00 0.00 55.73 54.96 2v48 s ARG 75 Cb 0.00 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2v48 s ARG 75 CO 0.00 -0.12 1.26 -0.11 -1.08 0.00 0.00 175.30 175.25 2v48 n LEU 76 N 1.77 5.81 0.00 -1.89 7.94 -1.26 -2.42 117.00 126.94 2v48 n LEU 76 Ca -0.20 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 2v48 n LEU 76 Cb 0.56 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.97 2v48 n LEU 76 CO 0.20 -1.07 -0.46 0.52 -1.11 0.00 0.00 177.39 175.47 2v48 n VAL 77 N -1.87 0.00 0.00 1.96 0.31 -0.21 -4.86 118.33 113.66 2v48 n VAL 77 Ca 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2v48 n VAL 77 Cb 0.48 0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 2v48 n VAL 77 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2v48 n GLU 78 N -1.42 0.00 -2.71 5.55 0.28 -1.19 -5.00 120.64 116.15 2v48 n GLU 78 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 2v48 n GLU 78 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 2v48 n GLU 78 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2v48 s SER 79 N 0.00 5.52 0.02 -1.84 0.15 -1.26 -1.85 113.70 114.44 2v48 s SER 79 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2v48 s SER 79 Cb 0.00 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2v48 s SER 79 CO 0.00 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2v48 n GLY 80 N -2.32 -5.55 0.59 9.45 0.00 -1.25 -4.94 105.19 101.18 2v48 n GLY 80 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2v48 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v48 n ARG 81 N 1.65 0.00 0.24 1.61 5.12 -0.63 -4.95 116.66 119.70 2v48 n ARG 81 Ca 0.00 -0.23 0.17 0.00 -1.93 0.00 0.00 57.85 55.86 2v48 n ARG 81 Cb 0.00 0.47 0.78 0.00 -1.16 0.00 0.00 32.46 32.55 2v48 n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2v48 h MET 82 N 0.00 0.00 -0.23 5.56 2.86 -1.90 -0.84 114.93 120.38 2v48 h MET 82 Ca -0.13 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2v48 h MET 82 Cb 0.70 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 2v48 h MET 82 CO -0.07 0.00 -0.42 0.38 1.06 0.00 0.00 176.91 177.86 2v48 h ASP 83 N 0.00 -1.34 -0.71 1.22 2.03 -1.94 0.19 116.42 115.88 2v48 h ASP 83 Ca 0.07 0.19 0.13 0.00 -0.73 0.00 0.00 57.03 56.70 2v48 h ASP 83 Cb 0.83 0.56 -0.09 0.00 -0.83 0.00 0.00 39.33 39.80 2v48 h ASP 83 CO -0.00 -0.40 0.24 -0.07 -1.03 0.00 0.00 179.24 177.97 2v48 h LEU 84 N -0.43 0.17 -0.90 0.15 3.38 -1.56 -1.78 115.31 114.34 2v48 h LEU 84 Ca 0.10 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.35 2v48 h LEU 84 Cb 0.61 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.31 2v48 h LEU 84 CO -0.46 0.06 -0.29 0.58 0.09 0.00 0.00 178.44 178.43 2v48 h VAL 85 N 0.37 0.07 -0.39 1.22 2.07 -0.67 0.39 116.25 119.32 2v48 h VAL 85 Ca 0.38 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.76 2v48 h VAL 85 Cb 0.58 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2v48 h VAL 85 CO -0.41 0.00 -0.33 -0.33 0.02 0.00 0.00 177.57 176.52 2v48 h GLU 86 N -0.02 0.87 0.00 1.57 5.08 -0.93 2.83 114.58 123.99 2v48 h GLU 86 Ca 0.39 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2v48 h GLU 86 Cb 0.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2v48 h GLU 86 CO -0.92 1.07 0.01 1.63 -1.00 0.00 0.00 179.01 179.80 2v48 n LYS 87 N -4.07 0.00 0.09 2.33 4.76 0.13 0.89 118.16 122.29 2v48 n LYS 87 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2v48 n LYS 87 Cb 0.51 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2v48 n LYS 87 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2v48 n TYR 88 N -0.91 -1.25 -0.07 2.13 9.36 -0.90 -4.53 117.16 121.00 2v48 n TYR 88 Ca 0.00 0.22 -0.05 0.00 3.32 0.00 0.00 57.90 61.39 2v48 n TYR 88 Cb 0.01 0.33 -0.04 0.00 -0.63 0.00 0.00 39.34 39.01 2v48 n TYR 88 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2v48 h LEU 89 N 0.00 -0.70 -1.37 2.98 6.46 0.62 0.31 115.31 123.61 2v48 h LEU 89 Ca 0.00 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 2v48 h LEU 89 Cb 0.07 0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 40.25 2v48 h LEU 89 CO 0.00 -0.13 0.48 0.40 -0.62 0.00 0.00 178.44 178.56 2v48 h ILE 90 N -0.12 1.02 -0.43 4.05 1.08 0.31 -0.94 117.51 122.49 2v48 h ILE 90 Ca 0.03 -0.26 0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2v48 h ILE 90 Cb 0.20 0.19 -0.09 0.00 -3.07 0.00 0.00 36.82 34.05 2v48 h ILE 90 CO -0.24 0.14 -0.31 -0.09 -0.69 0.00 0.00 178.15 176.96 2v48 h ARG 91 N 0.76 -0.22 0.00 2.37 2.43 -0.29 -2.77 114.38 116.67 2v48 h ARG 91 Ca 0.31 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2v48 h ARG 91 Cb 0.26 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2v48 h ARG 91 CO -0.10 -0.14 0.00 -2.13 -1.51 0.00 0.00 179.97 176.08 2v48 n ARG 92 N -5.42 0.00 0.00 0.20 0.63 0.80 -3.21 116.66 109.67 2v48 n ARG 92 Ca 0.02 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2v48 n ARG 92 Cb 0.34 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.79 2v48 n ARG 92 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2v48 n GLN 93 N -2.13 0.00 0.00 -0.14 7.27 -1.05 0.32 117.38 121.65 2v48 n GLN 93 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.11 2v48 n GLN 93 Cb 0.00 0.00 0.21 0.00 2.41 0.00 0.00 30.24 32.86 2v48 n GLN 93 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2v48 n ASN 94 N -3.27 0.00 0.22 1.69 4.13 -1.19 -2.61 115.26 114.23 2v48 n ASN 94 Ca 0.00 0.18 -0.13 0.00 1.68 0.00 0.00 54.58 56.31 2v48 n ASN 94 Cb 0.00 -0.29 -0.07 0.00 -1.54 0.00 0.00 39.78 37.88 2v48 n ASN 94 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2v48 h TYR 95 N 0.00 -0.55 0.00 3.10 0.05 0.49 -2.84 116.97 117.22 2v48 h TYR 95 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2v48 h TYR 95 Cb 0.08 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2v48 h TYR 95 CO 0.00 -0.23 0.06 -1.91 -1.05 0.00 0.00 178.16 175.03 2v48 n GLU 96 N -5.20 0.00 -2.85 4.88 2.13 -1.07 -2.25 120.64 116.28 2v48 n GLU 96 Ca -0.10 0.02 -0.33 0.00 0.66 0.00 0.00 57.16 57.42 2v48 n GLU 96 Cb 0.29 -1.56 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 2v48 n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2v48 n SER 97 N -0.72 5.58 -0.01 4.31 3.41 -1.07 -4.50 113.62 120.63 2v48 n SER 97 Ca 0.00 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2v48 n SER 97 Cb 0.06 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2v48 n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2v48 n LEU 98 N -0.11 0.00 0.00 1.04 4.77 -0.95 -5.07 117.00 116.68 2v48 n LEU 98 Ca 0.37 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2v48 n LEU 98 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2v48 n LEU 98 CO 0.42 0.44 0.00 -1.54 -1.33 0.00 0.00 177.39 175.38 2v48 n SER 99 N 0.00 0.00 -3.60 -1.43 3.41 -1.26 -5.01 113.62 105.73 2v48 n SER 99 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2v48 n SER 99 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 2v48 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2v48 n LYS 100 N 0.00 2.81 0.00 4.33 4.76 -1.26 -5.23 118.16 123.57 2v48 n LYS 100 Ca 0.00 -4.63 0.00 0.00 -2.87 0.00 0.00 58.31 50.81 2v48 n LYS 100 Cb 0.00 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 30.88 2v48 n LYS 100 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90