#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j03 n PHE 2 N 0.00 0.29 0.00 2.03 7.35 -1.25 -4.53 117.46 121.35 2j03 n PHE 2 Ca 0.00 -1.51 0.00 0.00 -0.76 0.00 0.00 57.45 55.18 2j03 n PHE 2 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 2j03 n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2j03 n ALA 3 N -2.08 0.00 -3.57 3.13 0.00 -0.89 -4.17 120.51 112.93 2j03 n ALA 3 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 2j03 n ALA 3 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 2j03 n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j03 s ILE 4 N -2.00 -0.10 0.19 0.00 1.01 -1.26 -0.78 121.20 118.26 2j03 s ILE 4 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2j03 s ILE 4 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2j03 s ILE 4 CO 0.00 -0.49 0.30 0.54 0.00 0.00 0.00 174.94 175.29 2j03 s VAL 5 N 2.14 5.23 -0.06 2.92 0.11 0.31 0.15 120.40 131.20 2j03 s VAL 5 Ca 0.06 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2j03 s VAL 5 Cb -0.16 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2j03 s VAL 5 CO -0.23 -0.19 -0.18 -1.59 -3.33 0.00 0.00 175.10 169.58 2j03 s LYS 6 N -3.52 2.64 -0.23 1.54 -2.85 -1.25 -0.46 119.74 115.61 2j03 s LYS 6 Ca 0.34 -0.78 -0.13 0.00 -1.00 0.00 0.00 55.97 54.40 2j03 s LYS 6 Cb -0.10 -2.32 0.07 0.00 -2.06 0.00 0.00 37.83 33.42 2j03 s LYS 6 CO 0.28 0.47 0.55 -0.08 0.10 0.00 0.00 175.35 176.68 2j03 s THR 7 N -0.35 -0.04 -0.83 3.79 -1.32 0.37 -4.48 115.64 112.78 2j03 s THR 7 Ca 0.03 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.54 2j03 s THR 7 Cb -0.12 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 2j03 s THR 7 CO 0.02 0.02 0.70 0.61 -2.21 0.00 0.00 174.62 173.76 2j03 n GLY 8 N 4.34 -0.24 2.64 6.08 0.00 -1.26 -2.36 105.19 114.38 2j03 n GLY 8 Ca -0.21 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 2j03 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j03 n GLY 9 N -1.15 0.10 3.19 -0.02 0.00 -1.26 -4.89 105.19 101.16 2j03 n GLY 9 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2j03 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j03 s LYS 10 N -1.50 1.00 -0.10 1.61 1.02 -0.99 -5.15 119.74 115.64 2j03 s LYS 10 Ca 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.13 2j03 s LYS 10 Cb 0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 2j03 s LYS 10 CO 0.00 0.26 -0.21 1.14 -0.92 0.00 0.00 175.35 175.62 2j03 s GLN 11 N -1.41 2.76 0.31 1.68 -2.07 -1.26 0.14 119.66 119.80 2j03 s GLN 11 Ca 0.02 -0.78 0.11 0.00 -1.82 0.00 0.00 55.36 52.90 2j03 s GLN 11 Cb -0.09 -2.14 -0.05 0.00 -1.09 0.00 0.00 33.01 29.64 2j03 s GLN 11 CO 0.02 0.11 -0.14 0.71 -1.32 0.00 0.00 175.29 174.67 2j03 s TYR 12 N 0.51 2.37 -0.20 9.60 4.12 0.39 -4.96 117.35 129.17 2j03 s TYR 12 Ca -0.16 -0.39 -0.06 0.00 0.02 0.00 0.00 57.07 56.49 2j03 s TYR 12 Cb -0.17 -1.17 -0.03 0.00 -1.52 0.00 0.00 41.96 39.07 2j03 s TYR 12 CO 0.06 0.65 0.01 -0.98 0.02 0.00 0.00 175.55 175.32 2j03 s ARG 13 N -3.57 3.70 0.28 -0.62 1.70 -1.26 -0.53 118.95 118.65 2j03 s ARG 13 Ca 0.31 -0.48 0.11 0.00 -0.47 0.00 0.00 55.73 55.20 2j03 s ARG 13 Cb -0.02 -3.11 -0.05 0.00 -0.57 0.00 0.00 34.95 31.20 2j03 s ARG 13 CO 0.16 0.07 -0.13 0.08 -1.08 0.00 0.00 175.30 174.41 2j03 s VAL 14 N 0.86 2.79 0.00 4.99 1.01 0.04 -4.96 120.40 125.14 2j03 s VAL 14 Ca 0.01 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.77 2j03 s VAL 14 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2j03 s VAL 14 CO 0.02 -0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.12 2j03 n GLU 15 N -0.73 3.02 -0.16 2.72 1.02 -1.26 -3.05 120.64 122.20 2j03 n GLU 15 Ca -0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 2j03 n GLU 15 Cb 0.60 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.26 2j03 n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2j03 n PRO 16 N 0.00 2.34 0.00 3.49 -0.04 -1.26 -4.82 135.00 134.71 2j03 n PRO 16 Ca 0.00 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 2j03 n PRO 16 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2j03 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2j03 n GLY 17 N 1.43 -1.27 0.00 0.55 0.00 -1.23 -4.58 105.19 100.09 2j03 n GLY 17 Ca 0.19 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.11 2j03 n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2j03 n LEU 18 N 0.00 0.00 0.00 0.99 -0.00 -1.19 -4.93 117.00 111.87 2j03 n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2j03 n LEU 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2j03 n LEU 18 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 2j03 n LYS 19 N -0.26 -1.16 0.00 1.47 3.00 -1.26 -1.63 118.16 118.32 2j03 n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2j03 n LYS 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2j03 n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2j03 n LEU 20 N 0.00 0.00 -4.65 3.14 4.32 -1.26 -4.83 117.00 113.72 2j03 n LEU 20 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 2j03 n LEU 20 Cb 0.00 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 41.94 2j03 n LEU 20 CO 0.00 0.00 0.64 0.54 -1.22 0.00 0.00 177.39 177.35 2j03 n ARG 21 N 0.00 -0.12 0.00 3.23 3.00 -1.26 -2.97 116.66 118.54 2j03 n ARG 21 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 2j03 n ARG 21 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.11 2j03 n ARG 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2j03 n VAL 22 N -3.69 0.00 -0.00 1.55 0.31 -0.86 -4.87 118.33 110.76 2j03 n VAL 22 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2j03 n VAL 22 Cb 0.51 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2j03 n VAL 22 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2j03 n GLU 23 N 0.00 0.00 -0.86 5.55 2.13 -1.26 -4.66 120.64 121.54 2j03 n GLU 23 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2j03 n GLU 23 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2j03 n GLU 23 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2j03 n LYS 24 N 2.96 0.00 -4.13 5.31 4.81 -1.25 -4.65 118.16 121.20 2j03 n LYS 24 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2j03 n LYS 24 Cb 0.00 -0.82 -0.13 0.00 0.02 0.00 0.00 35.03 34.11 2j03 n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2j03 s LEU 25 N 0.28 2.17 0.00 3.14 1.43 -1.26 -5.02 118.68 119.43 2j03 s LEU 25 Ca 0.50 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2j03 s LEU 25 Cb -0.70 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2j03 s LEU 25 CO 0.33 -0.09 0.14 0.47 0.23 0.00 0.00 176.35 177.43 2j03 n ASP 26 N 1.99 0.21 -1.48 2.29 8.00 -1.26 -3.93 116.55 122.37 2j03 n ASP 26 Ca -0.19 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2j03 n ASP 26 Cb 0.56 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2j03 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j03 n ALA 27 N 0.25 3.41 0.00 2.24 0.00 -1.26 -4.79 120.51 120.36 2j03 n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j03 n ALA 27 Cb 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2j03 n ALA 27 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2j03 n GLU 28 N 1.40 0.00 -2.45 0.00 0.28 -1.25 -4.42 120.64 114.20 2j03 n GLU 28 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2j03 n GLU 28 Cb 0.43 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.33 2j03 n GLU 28 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2j03 s PRO 29 N -1.55 2.90 -0.04 3.44 0.02 -1.26 -5.02 135.00 133.48 2j03 s PRO 29 Ca 0.00 -0.08 -0.11 0.00 0.02 0.00 0.00 61.00 60.83 2j03 s PRO 29 Cb 0.00 -2.30 -0.06 0.00 0.02 0.00 0.00 34.50 32.16 2j03 s PRO 29 CO 0.00 -0.68 0.49 0.78 -0.33 0.00 0.00 177.00 177.26 2j03 h GLY 30 N -0.13 -0.42 -7.51 0.52 0.00 -1.80 -3.38 103.07 90.35 2j03 h GLY 30 Ca -0.45 0.16 -0.40 0.00 0.00 0.00 0.00 47.33 46.64 2j03 h GLY 30 CO 0.60 -0.15 1.26 0.00 0.00 0.00 0.00 176.54 178.25 2j03 s ALA 31 N -3.61 2.08 0.09 3.60 0.00 -1.26 -3.99 121.76 118.67 2j03 s ALA 31 Ca -0.06 -2.26 -0.07 0.00 0.00 0.00 0.00 51.96 49.57 2j03 s ALA 31 Cb 0.01 -4.66 -0.01 0.00 0.00 0.00 0.00 23.12 18.45 2j03 s ALA 31 CO 0.18 -4.84 0.15 0.99 0.00 0.00 0.00 175.76 172.23 2j03 s THR 32 N 9.67 0.15 -0.05 0.00 2.01 -1.26 -5.05 115.64 121.11 2j03 s THR 32 Ca 0.66 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2j03 s THR 32 Cb -0.00 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2j03 s THR 32 CO 0.11 -0.69 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.42 2j03 s VAL 33 N -3.89 2.12 0.02 3.82 1.01 -1.26 -3.78 120.40 118.44 2j03 s VAL 33 Ca 0.07 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2j03 s VAL 33 Cb 0.06 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2j03 s VAL 33 CO -0.09 0.57 0.01 -0.70 0.00 0.00 0.00 175.10 174.89 2j03 s GLU 34 N -0.25 0.40 -0.21 2.72 2.12 0.29 -4.99 118.70 118.77 2j03 s GLU 34 Ca -0.01 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.69 2j03 s GLU 34 Cb -0.13 0.15 0.05 0.00 0.26 0.00 0.00 34.13 34.46 2j03 s GLU 34 CO 0.03 -0.08 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.07 2j03 s LEU 35 N -1.66 2.42 0.26 2.70 1.43 -1.26 -0.47 118.68 122.10 2j03 s LEU 35 Ca -0.12 -0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 51.93 2j03 s LEU 35 Cb -0.07 -1.23 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 2j03 s LEU 35 CO -0.02 -0.17 0.53 -2.16 0.23 0.00 0.00 176.35 174.76 2j03 s PRO 36 N 1.38 3.65 1.07 1.29 0.04 -1.19 -4.86 135.00 136.38 2j03 s PRO 36 Ca -0.03 0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.85 2j03 s PRO 36 Cb -0.17 -2.68 0.04 0.00 0.04 0.00 0.00 34.50 31.73 2j03 s PRO 36 CO -0.07 0.27 -0.17 0.28 0.04 0.00 0.00 177.00 177.35 2j03 n VAL 37 N -0.68 0.00 -4.27 -0.36 0.31 -1.26 -2.81 118.33 109.25 2j03 n VAL 37 Ca -0.02 -0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 63.88 2j03 n VAL 37 Cb 0.53 -0.50 -0.11 0.00 -0.91 0.00 0.00 33.84 32.85 2j03 n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2j03 s LEU 38 N 0.39 2.45 0.00 7.52 0.20 -1.26 -3.86 118.68 124.12 2j03 s LEU 38 Ca 0.53 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 54.47 2j03 s LEU 38 Cb -0.11 -0.60 0.00 0.00 -0.43 0.00 0.00 46.19 45.06 2j03 s LEU 38 CO 0.67 -0.15 0.06 0.18 -0.29 0.00 0.00 176.35 176.83 2j03 n LEU 39 N 0.27 0.13 -2.47 -0.68 7.99 0.39 -4.47 117.00 118.15 2j03 n LEU 39 Ca -0.13 -0.30 -0.03 0.00 -0.01 0.00 0.00 56.01 55.53 2j03 n LEU 39 Cb 0.58 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.97 2j03 n LEU 39 CO 0.29 0.03 0.53 0.00 -1.51 0.00 0.00 177.39 176.74 2j03 n LEU 40 N -0.35 -1.28 0.00 2.23 -0.00 -1.26 -4.50 117.00 111.83 2j03 n LEU 40 Ca 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 56.01 53.33 2j03 n LEU 40 Cb 0.03 0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2j03 n LEU 40 CO 0.00 1.56 0.00 0.61 -0.00 0.00 0.00 177.39 179.56 2j03 n GLY 41 N -0.87 1.03 0.00 1.47 0.00 -1.20 -4.33 105.19 101.29 2j03 n GLY 41 Ca -0.12 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2j03 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j03 n GLY 42 N 0.00 0.00 4.60 -0.02 0.00 -1.26 -2.10 105.19 106.41 2j03 n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j03 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2j03 n GLU 43 N 0.00 0.00 -0.42 1.61 2.13 -1.22 -3.91 120.64 118.83 2j03 n GLU 43 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 2j03 n GLU 43 Cb 0.00 -1.95 0.17 0.00 0.27 0.00 0.00 31.44 29.93 2j03 n GLU 43 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2j03 n LYS 44 N -0.82 -2.14 0.00 5.31 4.81 -1.24 -4.38 118.16 119.70 2j03 n LYS 44 Ca 0.00 -0.86 0.00 0.00 -0.87 0.00 0.00 58.31 56.58 2j03 n LYS 44 Cb 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.54 2j03 n LYS 44 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2j03 n THR 45 N -4.68 0.00 -0.03 3.15 -1.04 -1.26 -0.52 114.28 109.90 2j03 n THR 45 Ca 0.08 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.12 2j03 n THR 45 Cb 0.36 -0.70 -0.13 0.00 -1.82 0.00 0.00 70.33 68.04 2j03 n THR 45 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2j03 n VAL 46 N -0.65 0.34 0.00 12.58 0.31 -1.26 -5.10 118.33 124.55 2j03 n VAL 46 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2j03 n VAL 46 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 2j03 n VAL 46 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2j03 n VAL 47 N -2.23 0.00 0.00 2.52 3.14 0.32 -5.04 118.33 117.04 2j03 n VAL 47 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2j03 n VAL 47 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2j03 n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2j03 n GLY 48 N 0.00 0.36 3.28 7.55 0.00 -1.26 -3.43 105.19 111.69 2j03 n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2j03 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j03 s THR 49 N -0.37 2.62 0.00 2.61 2.01 -1.26 -4.57 115.64 116.68 2j03 s THR 49 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2j03 s THR 49 Cb 0.00 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.43 2j03 s THR 49 CO 0.00 0.53 0.00 -0.81 -0.69 0.00 0.00 174.62 173.65 2j03 n PRO 50 N 3.77 0.00 0.00 4.92 -0.04 -1.26 -3.22 135.00 139.17 2j03 n PRO 50 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2j03 n PRO 50 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2j03 n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2j03 n VAL 51 N 0.00 0.00 -1.36 0.52 0.31 -1.26 -4.55 118.33 111.98 2j03 n VAL 51 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2j03 n VAL 51 Cb 0.00 0.00 -0.20 0.00 -0.91 0.00 0.00 33.84 32.73 2j03 n VAL 51 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2j03 n VAL 52 N 0.89 0.00 -0.69 2.52 0.31 -1.26 0.11 118.33 120.21 2j03 n VAL 52 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2j03 n VAL 52 Cb 0.00 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2j03 n VAL 52 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2j03 n GLU 53 N 5.37 -0.12 -2.25 5.55 4.07 -1.26 -3.92 120.64 128.07 2j03 n GLU 53 Ca 0.61 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 2j03 n GLU 53 Cb 0.11 -3.90 0.00 0.00 -0.06 0.00 0.00 31.44 27.59 2j03 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2j03 n GLY 54 N -1.85 -0.43 2.68 8.31 0.00 0.30 -4.73 105.19 109.47 2j03 n GLY 54 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2j03 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j03 n ALA 55 N -2.23 3.86 -0.60 4.61 0.00 -1.25 -4.53 120.51 120.35 2j03 n ALA 55 Ca 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 53.44 51.76 2j03 n ALA 55 Cb 0.43 -2.86 0.10 0.00 0.00 0.00 0.00 19.45 17.11 2j03 n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j03 n SER 56 N 4.31 4.49 0.00 0.00 3.41 -1.26 -4.92 113.62 119.65 2j03 n SER 56 Ca 0.34 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 2j03 n SER 56 Cb 0.11 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2j03 n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2j03 n VAL 57 N -0.40 0.00 -1.52 -3.33 0.31 -1.26 -4.92 118.33 107.21 2j03 n VAL 57 Ca 0.39 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 64.26 2j03 n VAL 57 Cb 1.06 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.97 2j03 n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2j03 n VAL 58 N 0.00 1.98 -4.04 2.52 0.31 -1.26 -4.96 118.33 112.87 2j03 n VAL 58 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 2j03 n VAL 58 Cb 0.00 -0.64 -0.04 0.00 -0.91 0.00 0.00 33.84 32.25 2j03 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j03 n ALA 59 N 0.05 0.01 -2.82 3.52 0.00 -1.26 -4.24 120.51 115.77 2j03 n ALA 59 Ca 0.12 -1.35 -0.36 0.00 0.00 0.00 0.00 53.44 51.85 2j03 n ALA 59 Cb 0.30 1.09 -0.07 0.00 0.00 0.00 0.00 19.45 20.78 2j03 n ALA 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2j03 s GLU 60 N -2.77 3.58 -0.38 0.00 2.02 -1.12 -4.64 118.70 115.38 2j03 s GLU 60 Ca 0.26 -0.20 -0.20 0.00 0.02 0.00 0.00 54.97 54.85 2j03 s GLU 60 Cb 0.00 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.05 2j03 s GLU 60 CO 0.18 0.64 0.62 0.08 0.02 0.00 0.00 175.26 176.80 2j03 s VAL 61 N -0.63 4.89 -0.10 2.63 1.01 -0.66 -3.14 120.40 124.39 2j03 s VAL 61 Ca 0.12 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2j03 s VAL 61 Cb -0.12 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2j03 s VAL 61 CO 0.02 -0.40 -0.15 -0.76 0.00 0.00 0.00 175.10 173.81 2j03 s LEU 62 N 2.70 1.73 0.00 3.92 1.43 0.38 0.20 118.68 129.04 2j03 s LEU 62 Ca 0.23 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2j03 s LEU 62 Cb -0.14 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.00 2j03 s LEU 62 CO 0.16 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2j03 n GLY 63 N 4.11 1.66 0.00 -3.19 0.00 0.62 -0.55 105.19 107.84 2j03 n GLY 63 Ca -0.19 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2j03 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2j03 n HIS 64 N 0.00 0.00 -2.86 1.61 1.44 -1.25 -1.47 115.22 112.69 2j03 n HIS 64 Ca 0.00 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.27 2j03 n HIS 64 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 2j03 n HIS 64 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2j03 s GLY 65 N 0.00 2.11 0.52 -1.39 0.00 -1.26 -4.30 107.32 102.99 2j03 s GLY 65 Ca 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 44.72 41.64 2j03 s GLY 65 CO 0.00 2.18 0.01 1.09 0.00 0.00 0.00 173.10 176.38 2j03 s ARG 66 N 2.45 2.21 -0.30 2.90 1.04 -1.26 -4.83 118.95 121.16 2j03 s ARG 66 Ca 0.42 -2.43 -0.11 0.00 -1.04 0.00 0.00 55.73 52.57 2j03 s ARG 66 Cb -0.02 -1.46 0.18 0.00 -2.04 0.00 0.00 34.95 31.61 2j03 s ARG 66 CO -0.02 -0.41 0.98 0.20 -0.04 0.00 0.00 175.30 176.02 2j03 s GLY 67 N -3.88 -0.43 -0.09 3.88 0.00 -1.26 -4.71 107.32 100.82 2j03 s GLY 67 Ca 0.03 2.65 -0.02 0.00 0.00 0.00 0.00 44.72 47.38 2j03 s GLY 67 CO 0.02 3.74 0.21 0.58 0.00 0.00 0.00 173.10 177.65 2j03 n LYS 68 N 5.46 0.00 -1.15 2.90 2.85 -1.26 -4.86 118.16 122.10 2j03 n LYS 68 Ca -0.06 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.01 2j03 n LYS 68 Cb 0.53 -0.11 0.13 0.00 -0.65 0.00 0.00 35.03 34.93 2j03 n LYS 68 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2j03 n LYS 69 N 0.62 -0.97 0.00 -1.58 3.00 -1.17 -4.79 118.16 113.27 2j03 n LYS 69 Ca 0.06 -1.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.09 2j03 n LYS 69 Cb 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.15 2j03 n LYS 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2j03 n ILE 70 N -3.24 0.00 0.00 3.15 -0.00 -1.26 -3.30 119.36 114.70 2j03 n ILE 70 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 2j03 n ILE 70 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.01 2j03 n ILE 70 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2j03 n LEU 71 N 0.00 0.00 0.00 7.28 -0.00 -0.99 -4.89 117.00 118.40 2j03 n LEU 71 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2j03 n LEU 71 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2j03 n LEU 71 CO 0.00 0.00 0.01 0.52 -0.00 0.00 0.00 177.39 177.92 2j03 n VAL 72 N -0.24 0.00 0.00 1.96 0.31 -1.26 -3.56 118.33 115.54 2j03 n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2j03 n VAL 72 Cb 0.00 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2j03 n VAL 72 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2j03 n SER 73 N -2.67 0.00 -2.04 4.52 3.41 -1.26 -4.61 113.62 110.98 2j03 n SER 73 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.60 2j03 n SER 73 Cb 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2j03 n SER 73 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2j03 n LYS 74 N 0.00 -2.01 -3.59 4.33 5.02 -1.26 -4.98 118.16 115.67 2j03 n LYS 74 Ca 0.00 1.80 -0.40 0.00 -2.02 0.00 0.00 58.31 57.69 2j03 n LYS 74 Cb 0.00 -2.98 -0.09 0.00 -0.02 0.00 0.00 35.03 31.94 2j03 n LYS 74 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2j03 s PHE 75 N -0.47 3.46 -0.78 2.13 0.40 -0.58 -5.02 117.98 117.11 2j03 s PHE 75 Ca -0.09 -1.97 -0.13 0.00 -0.60 0.00 0.00 56.93 54.14 2j03 s PHE 75 Cb 0.01 -3.45 0.21 0.00 0.51 0.00 0.00 43.02 40.29 2j03 s PHE 75 CO 0.38 -0.99 0.70 0.15 0.70 0.00 0.00 175.22 176.16 2j03 s LYS 76 N 1.32 3.42 0.83 0.44 1.02 -1.26 -3.97 119.74 121.53 2j03 s LYS 76 Ca 0.06 -2.43 -0.11 0.00 0.02 0.00 0.00 55.97 53.52 2j03 s LYS 76 Cb -0.26 -4.32 0.09 0.00 -0.52 0.00 0.00 37.83 32.82 2j03 s LYS 76 CO -0.01 -1.28 1.09 0.00 -0.92 0.00 0.00 175.35 174.24 2j03 s ALA 77 N 0.22 1.94 -0.30 5.17 0.00 -1.05 -4.91 121.76 122.83 2j03 s ALA 77 Ca 0.17 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 2j03 s ALA 77 Cb -0.13 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 19.90 2j03 s ALA 77 CO -0.07 -2.05 0.95 0.21 0.00 0.00 0.00 175.76 174.80 2j03 s LYS 78 N -4.89 0.30 0.00 0.00 2.36 -1.26 -2.76 119.74 113.49 2j03 s LYS 78 Ca 0.62 0.65 0.00 0.00 -2.55 0.00 0.00 55.97 54.69 2j03 s LYS 78 Cb -0.18 0.38 0.00 0.00 -1.05 0.00 0.00 37.83 36.98 2j03 s LYS 78 CO 0.57 -0.20 0.00 0.28 1.55 0.00 0.00 175.35 177.54 2j03 n VAL 79 N 5.21 0.00 0.00 4.02 0.31 0.09 -5.03 118.33 122.93 2j03 n VAL 79 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2j03 n VAL 79 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2j03 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j03 n GLN 80 N 0.00 0.00 -2.58 5.55 -0.00 -1.26 -4.67 117.38 114.41 2j03 n GLN 80 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.57 2j03 n GLN 80 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2j03 n GLN 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2j03 s TYR 81 N 0.00 2.77 -0.16 2.61 5.04 -1.26 -5.07 117.35 121.28 2j03 s TYR 81 Ca 0.00 -1.56 -0.05 0.00 -2.44 0.00 0.00 57.07 53.02 2j03 s TYR 81 Cb 0.00 -4.75 0.06 0.00 0.35 0.00 0.00 41.96 37.62 2j03 s TYR 81 CO 0.00 -1.82 0.11 0.50 -1.34 0.00 0.00 175.55 173.00 2j03 s ARG 82 N 4.25 0.06 0.00 4.97 3.00 -1.26 -5.12 118.95 124.86 2j03 s ARG 82 Ca 0.53 0.02 0.05 0.00 -1.00 0.00 0.00 55.73 55.33 2j03 s ARG 82 Cb 0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 34.95 33.39 2j03 s ARG 82 CO 0.06 -0.63 -0.15 1.03 0.00 0.00 0.00 175.30 175.61 2j03 s ARG 83 N 2.17 1.15 -0.44 5.12 0.52 -1.26 -0.74 118.95 125.47 2j03 s ARG 83 Ca 0.03 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.68 2j03 s ARG 83 Cb -0.15 -1.14 0.18 0.00 0.52 0.00 0.00 34.95 34.36 2j03 s ARG 83 CO -0.09 0.30 0.48 1.63 0.02 0.00 0.00 175.30 177.65 2j03 n LYS 84 N 2.48 0.34 0.00 3.54 4.01 -1.11 -4.90 118.16 122.51 2j03 n LYS 84 Ca -0.15 -2.79 0.15 0.00 -0.51 0.00 0.00 58.31 55.01 2j03 n LYS 84 Cb 0.55 -1.58 0.78 0.00 -0.51 0.00 0.00 35.03 34.27 2j03 n LYS 84 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2j03 n LYS 85 N 2.76 0.95 -0.03 1.97 0.00 -1.26 -2.53 118.16 120.01 2j03 n LYS 85 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 58.31 58.35 2j03 n LYS 85 Cb 0.51 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.04 2j03 n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2j03 n GLY 86 N 1.13 1.01 3.18 3.14 0.00 -1.26 -4.66 105.19 107.72 2j03 n GLY 86 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2j03 n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j03 s HIS 87 N 2.79 -0.64 -0.14 1.61 3.76 -1.25 -5.04 115.29 116.38 2j03 s HIS 87 Ca 0.02 1.29 -0.01 0.00 -0.15 0.00 0.00 55.06 56.21 2j03 s HIS 87 Cb 0.01 0.18 0.04 0.00 1.11 0.00 0.00 32.58 33.92 2j03 s HIS 87 CO 0.00 -0.41 -0.03 0.50 -0.85 0.00 0.00 174.74 173.94 2j03 s ARG 88 N 2.35 1.13 -0.14 1.40 3.52 -1.26 -1.53 118.95 124.42 2j03 s ARG 88 Ca -0.02 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2j03 s ARG 88 Cb -0.11 -1.69 0.01 0.00 -1.56 0.00 0.00 34.95 31.60 2j03 s ARG 88 CO -0.11 -0.40 -0.21 -1.14 -0.81 0.00 0.00 175.30 172.63 2j03 s GLN 89 N 1.77 3.06 -0.06 5.12 2.00 -1.26 -4.96 119.66 125.33 2j03 s GLN 89 Ca 0.02 -0.83 0.10 0.00 -2.00 0.00 0.00 55.36 52.65 2j03 s GLN 89 Cb -0.14 -2.47 -0.15 0.00 0.80 0.00 0.00 33.01 31.05 2j03 s GLN 89 CO -0.07 -0.00 0.13 -0.35 -0.50 0.00 0.00 175.29 174.49 2j03 n PRO 90 N 4.06 1.40 -2.01 1.67 -0.04 -1.23 -4.21 135.00 134.64 2j03 n PRO 90 Ca -0.20 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2j03 n PRO 90 Cb 0.52 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2j03 n PRO 90 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2j03 n TYR 91 N -2.14 -4.63 -2.18 0.54 9.36 -1.26 -2.33 117.16 114.52 2j03 n TYR 91 Ca -0.10 2.64 -0.43 0.00 3.32 0.00 0.00 57.90 63.34 2j03 n TYR 91 Cb 0.57 -3.45 -0.02 0.00 -0.63 0.00 0.00 39.34 35.81 2j03 n TYR 91 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2j03 s THR 92 N -1.06 3.85 0.28 2.97 -1.32 -1.26 -4.09 115.64 115.01 2j03 s THR 92 Ca 0.00 1.01 0.01 0.00 -1.21 0.00 0.00 61.69 61.50 2j03 s THR 92 Cb 0.00 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 2j03 s THR 92 CO 0.00 -0.16 0.46 -0.70 -2.21 0.00 0.00 174.62 172.01 2j03 s GLU 93 N 4.03 3.49 -0.32 7.08 2.12 -1.21 -3.94 118.70 129.95 2j03 s GLU 93 Ca 0.66 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.56 2j03 s GLU 93 Cb -0.27 -2.76 0.12 0.00 0.26 0.00 0.00 34.13 31.48 2j03 s GLU 93 CO 0.25 0.29 0.18 -1.17 -0.54 0.00 0.00 175.26 174.26 2j03 s LEU 94 N -3.93 0.78 0.23 2.70 0.20 -1.26 -3.04 118.68 114.35 2j03 s LEU 94 Ca 0.38 -1.80 -0.30 0.00 0.69 0.00 0.00 54.13 53.10 2j03 s LEU 94 Cb -0.10 -0.37 -0.10 0.00 -0.43 0.00 0.00 46.19 45.20 2j03 s LEU 94 CO 0.32 -0.36 1.41 -0.22 -0.29 0.00 0.00 176.35 177.20 2j03 s LEU 95 N 1.51 4.39 0.25 -0.68 2.96 -1.26 -2.04 118.68 123.82 2j03 s LEU 95 Ca 0.14 2.58 0.05 0.00 -0.22 0.00 0.00 54.13 56.68 2j03 s LEU 95 Cb -0.20 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.82 2j03 s LEU 95 CO -0.15 -0.65 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.55 2j03 s ILE 96 N 0.12 1.40 -0.32 6.68 1.01 -1.16 -4.02 121.20 124.91 2j03 s ILE 96 Ca 0.59 -2.10 0.01 0.00 0.00 0.00 0.00 60.65 59.15 2j03 s ILE 96 Cb -0.40 -2.33 0.10 0.00 0.01 0.00 0.00 42.46 39.84 2j03 s ILE 96 CO 0.41 -0.37 0.08 -0.75 0.00 0.00 0.00 174.94 174.31 2j03 s LYS 97 N -3.77 0.97 0.03 2.79 2.47 -0.54 -4.15 119.74 117.53 2j03 s LYS 97 Ca 0.27 -1.33 -0.30 0.00 -1.56 0.00 0.00 55.97 53.05 2j03 s LYS 97 Cb 0.04 -2.39 -0.06 0.00 -1.46 0.00 0.00 37.83 33.96 2j03 s LYS 97 CO 0.09 -0.96 1.45 -2.00 0.16 0.00 0.00 175.35 174.09 2j03 s GLU 98 N 1.38 4.27 0.00 4.03 -6.30 -0.64 -0.27 118.70 121.17 2j03 s GLU 98 Ca 0.10 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.62 2j03 s GLU 98 Cb -0.18 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.41 2j03 s GLU 98 CO -0.19 -0.59 0.00 -0.89 0.02 0.00 0.00 175.26 173.61 2j03 n ILE 99 N 4.59 0.00 -4.47 -3.70 2.08 0.54 -3.19 119.36 115.21 2j03 n ILE 99 Ca 0.13 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.21 2j03 n ILE 99 Cb 0.43 -0.66 -0.10 0.00 -0.75 0.00 0.00 39.64 38.56 2j03 n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2j03 s ARG 100 N 0.00 1.65 0.00 0.38 1.70 -1.21 -4.32 118.95 117.15 2j03 s ARG 100 Ca 0.00 -1.81 0.22 0.00 -0.47 0.00 0.00 55.73 53.67 2j03 s ARG 100 Cb 0.00 -1.50 0.18 0.00 -0.57 0.00 0.00 34.95 33.06 2j03 s ARG 100 CO 0.00 0.16 1.21 0.41 -1.08 0.00 0.00 175.30 176.00