#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj s ALA 2 N 0.00 -0.08 0.14 0.62 0.00 -1.26 -4.63 121.76 116.54 2ddj s ALA 2 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 2ddj s ALA 2 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2ddj s ALA 2 CO 0.00 -3.94 1.70 0.93 0.00 0.00 0.00 175.76 174.45 2ddj h GLU 3 N -2.83 0.01 0.00 0.00 3.07 -2.02 0.68 114.58 113.48 2ddj h GLU 3 Ca -0.49 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2ddj h GLU 3 Cb 1.32 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 2ddj h GLU 3 CO 0.38 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.00 2ddj n ALA 4 N -2.46 1.82 -0.11 3.43 0.00 -1.26 -3.63 120.51 118.30 2ddj n ALA 4 Ca -0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2ddj n ALA 4 Cb 0.15 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 2ddj n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddj n GLU 5 N -1.52 0.55 -1.00 0.00 1.02 -0.17 -0.53 120.64 118.98 2ddj n GLU 5 Ca 0.04 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.06 2ddj n GLU 5 Cb 0.21 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 2ddj n GLU 5 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ddj n PHE 6 N -3.24 0.34 -1.66 -0.32 7.35 0.05 -4.45 117.46 115.53 2ddj n PHE 6 Ca -0.40 0.23 -0.50 0.00 -0.76 0.00 0.00 57.45 56.03 2ddj n PHE 6 Cb 0.91 -1.47 -0.05 0.00 0.35 0.00 0.00 39.48 39.21 2ddj n PHE 6 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2ddj n THR 7 N 4.89 0.18 -1.61 -2.13 -1.04 -1.26 -4.78 114.28 108.52 2ddj n THR 7 Ca 0.44 -0.03 -0.56 0.00 -2.04 0.00 0.00 64.05 61.86 2ddj n THR 7 Cb 0.03 -1.40 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 2ddj n THR 7 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ddj n ASP 8 N 4.21 1.46 0.19 8.00 -0.08 -1.26 -4.84 116.55 124.23 2ddj n ASP 8 Ca 0.20 1.12 0.18 0.00 -1.51 0.00 0.00 54.79 54.78 2ddj n ASP 8 Cb 0.24 -1.11 0.81 0.00 2.34 0.00 0.00 41.12 43.41 2ddj n ASP 8 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ddj h ALA 9 N 4.88 1.81 -0.67 -1.67 0.00 -1.88 -0.83 119.26 120.89 2ddj h ALA 9 Ca -0.48 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2ddj h ALA 9 Cb 1.35 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2ddj h ALA 9 CO 0.81 -0.42 0.46 0.00 0.00 0.00 0.00 179.25 180.10 2ddj n VAL 11 N -4.42 0.00 -4.29 0.00 0.31 -0.32 -4.47 118.33 105.14 2ddj n VAL 11 Ca 0.13 -0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 2ddj n VAL 11 Cb 0.59 0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 34.39 2ddj n VAL 11 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ddj s LEU 12 N -2.42 3.66 0.77 7.52 2.96 -0.65 -5.09 118.68 125.43 2ddj s LEU 12 Ca 0.22 0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.17 2ddj s LEU 12 Cb 0.19 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 45.08 2ddj s LEU 12 CO 0.52 0.34 1.08 -2.16 -1.32 0.00 0.00 176.35 174.81 2ddj s PRO 13 N -0.65 2.28 0.46 0.98 0.04 -1.26 -4.77 135.00 132.09 2ddj s PRO 13 Ca 0.11 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2ddj s PRO 13 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2ddj s PRO 13 CO 0.02 -1.55 1.01 0.00 0.04 0.00 0.00 177.00 176.52 2ddj s ALA 14 N -3.02 2.94 -0.00 8.56 0.00 -1.26 -4.56 121.76 124.40 2ddj s ALA 14 Ca 0.60 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ddj s ALA 14 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2ddj s ALA 14 CO 0.55 -0.15 0.01 0.08 0.00 0.00 0.00 175.76 176.25 2ddj s VAL 15 N -2.05 -0.00 0.01 0.00 1.01 -1.26 -5.05 120.40 113.06 2ddj s VAL 15 Ca 0.65 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 2ddj s VAL 15 Cb -0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 2ddj s VAL 15 CO 0.17 0.00 0.92 1.56 0.00 0.00 0.00 175.10 177.76 2ddj h GLN 16 N 6.14 -0.54 0.00 2.72 7.50 -1.92 -3.43 115.11 125.58 2ddj h GLN 16 Ca -0.24 0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.95 2ddj h GLN 16 Cb 1.21 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.86 2ddj h GLN 16 CO 0.50 -0.36 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 2ddj n GLY 17 N -0.39 1.57 0.00 3.46 0.00 -1.25 -0.51 105.19 108.07 2ddj n GLY 17 Ca -0.07 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 43.90 2ddj n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddj n PRO 18 N -0.11 0.34 -1.20 1.61 -0.04 -1.26 -4.87 135.00 129.47 2ddj n PRO 18 Ca 0.00 0.08 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 2ddj n PRO 18 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 2ddj n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddj n ARG 20 N -4.17 0.22 -3.42 0.00 3.00 -1.26 -5.02 116.66 106.01 2ddj n ARG 20 Ca 0.14 -0.48 -0.29 0.00 -0.01 0.00 0.00 57.85 57.21 2ddj n ARG 20 Cb 0.53 -0.71 -0.04 0.00 0.00 0.00 0.00 32.46 32.24 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ddj s GLY 21 N -0.16 1.93 -0.29 -0.13 0.00 -1.26 -5.08 107.32 102.33 2ddj s GLY 21 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.17 2ddj s GLY 21 CO 0.00 -0.46 0.04 -0.98 0.00 0.00 0.00 173.10 171.70 2ddj s TRP 22 N -1.99 2.42 -0.33 1.90 0.23 -1.26 -4.33 118.94 115.58 2ddj s TRP 22 Ca 0.43 -2.04 -0.17 0.00 -2.03 0.00 0.00 56.10 52.29 2ddj s TRP 22 Cb -0.11 -1.97 -0.01 0.00 0.03 0.00 0.00 33.47 31.41 2ddj s TRP 22 CO 0.28 -0.86 0.47 -2.00 0.96 0.00 0.00 176.95 175.81 2ddj s GLU 23 N 1.37 3.71 0.21 4.98 2.56 0.41 -4.92 118.70 127.03 2ddj s GLU 23 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 54.97 54.59 2ddj s GLU 23 Cb -0.18 -3.77 -0.09 0.00 2.00 0.00 0.00 34.13 32.08 2ddj s GLU 23 CO -0.14 -0.54 1.37 -1.25 -0.56 0.00 0.00 175.26 174.13 2ddj s PRO 24 N 2.28 4.34 0.37 4.30 0.04 -1.26 -0.85 135.00 144.21 2ddj s PRO 24 Ca 0.17 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.43 2ddj s PRO 24 Cb -0.16 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 2ddj s PRO 24 CO 0.12 -0.33 0.22 1.03 0.04 0.00 0.00 177.00 178.08 2ddj s ARG 25 N -0.13 1.86 -0.04 4.56 1.81 -0.51 -4.90 118.95 121.61 2ddj s ARG 25 Ca 0.58 -2.12 0.04 0.00 -1.72 0.00 0.00 55.73 52.52 2ddj s ARG 25 Cb -0.39 -0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.00 2ddj s ARG 25 CO 0.40 -0.60 -0.15 -1.58 -0.68 0.00 0.00 175.30 172.69 2ddj s TRP 26 N -3.32 2.66 0.02 -0.53 0.52 -0.28 -0.10 118.94 117.90 2ddj s TRP 26 Ca 0.32 -0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.26 2ddj s TRP 26 Cb 0.02 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 2ddj s TRP 26 CO 0.22 0.17 -0.03 0.00 0.02 0.00 0.00 176.95 177.33 2ddj s ALA 27 N -0.73 0.15 0.17 0.98 0.00 -0.48 -0.15 121.76 121.70 2ddj s ALA 27 Ca 0.12 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 2ddj s ALA 27 Cb -0.11 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 2ddj s ALA 27 CO 0.01 -0.09 0.97 -0.47 0.00 0.00 0.00 175.76 176.18 2ddj s TYR 28 N -0.98 3.85 -0.25 0.00 5.04 -1.26 -1.52 117.35 122.22 2ddj s TYR 28 Ca -0.10 1.82 -0.00 0.00 -2.44 0.00 0.00 57.07 56.35 2ddj s TYR 28 Cb -0.07 -3.06 0.04 0.00 0.35 0.00 0.00 41.96 39.22 2ddj s TYR 28 CO -0.01 0.18 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.19 2ddj s SER 29 N -0.50 4.28 0.34 4.32 0.01 -0.18 -4.79 113.70 117.18 2ddj s SER 29 Ca 0.45 -1.05 0.09 0.00 1.31 0.00 0.00 55.95 56.75 2ddj s SER 29 Cb -0.25 -1.62 0.60 0.00 0.21 0.00 0.00 66.02 64.96 2ddj s SER 29 CO 0.32 -0.15 1.78 1.55 0.41 0.00 0.00 173.24 177.15 2ddj h PRO 30 N 7.93 0.15 0.00 12.44 0.13 -1.83 0.14 132.00 150.96 2ddj h PRO 30 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ddj h PRO 30 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.49 0.00 1.28 -0.23 0.00 0.00 178.00 180.08 2ddj n LEU 31 N -4.09 0.53 -0.13 1.56 4.32 -1.26 -1.34 117.00 116.59 2ddj n LEU 31 Ca -0.01 0.68 0.02 0.00 -0.02 0.00 0.00 56.01 56.68 2ddj n LEU 31 Cb 0.42 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 2ddj n LEU 31 CO 0.40 -0.69 0.20 0.18 -1.22 0.00 0.00 177.39 176.26 2ddj n LEU 32 N -2.14 0.98 -1.76 2.23 4.77 -0.78 -5.00 117.00 115.29 2ddj n LEU 32 Ca 0.01 -0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 55.05 2ddj n LEU 32 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2ddj n LEU 32 CO 0.14 0.21 -0.14 1.67 -1.33 0.00 0.00 177.39 177.94 2ddj n GLN 33 N -0.23 -1.62 -3.78 3.23 7.27 0.38 -4.88 117.38 117.74 2ddj n GLN 33 Ca 0.02 0.69 -0.05 0.00 0.07 0.00 0.00 57.00 57.74 2ddj n GLN 33 Cb 0.11 -5.06 -0.02 0.00 2.41 0.00 0.00 30.24 27.68 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddj s GLN 34 N -3.79 1.37 0.27 3.69 0.74 -0.57 -4.33 119.66 117.04 2ddj s GLN 34 Ca 0.00 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.53 2ddj s GLN 34 Cb 0.00 0.47 -0.08 0.00 1.10 0.00 0.00 33.01 34.50 2ddj s GLN 34 CO 0.00 -0.63 0.64 0.00 -0.55 0.00 0.00 175.29 174.76 2ddj s HIS 36 N -1.86 0.37 0.84 0.00 -3.43 -0.58 -4.95 115.29 105.69 2ddj s HIS 36 Ca 0.50 -0.83 -0.11 0.00 -0.80 0.00 0.00 55.06 53.81 2ddj s HIS 36 Cb -0.11 -0.26 0.10 0.00 -1.43 0.00 0.00 32.58 30.88 2ddj s HIS 36 CO 0.19 -0.41 1.15 -2.14 -2.00 0.00 0.00 174.74 171.54 2ddj s PRO 37 N -3.56 1.50 0.32 -0.38 0.02 -1.26 -1.39 135.00 130.25 2ddj s PRO 37 Ca 0.03 1.55 -0.18 0.00 0.02 0.00 0.00 61.00 62.42 2ddj s PRO 37 Cb 0.05 -1.78 0.03 0.00 0.02 0.00 0.00 34.50 32.82 2ddj s PRO 37 CO -0.09 -2.27 0.73 -0.59 -0.33 0.00 0.00 177.00 174.45 2ddj s PHE 38 N -2.51 -0.03 -0.30 6.54 -0.71 0.85 -4.79 117.98 117.03 2ddj s PHE 38 Ca 0.68 -0.50 -0.18 0.00 -1.04 0.00 0.00 56.93 55.89 2ddj s PHE 38 Cb -0.24 0.72 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 2ddj s PHE 38 CO 0.54 -1.35 0.49 0.08 -1.34 0.00 0.00 175.22 173.65 2ddj s VAL 39 N -3.33 5.06 0.43 -2.49 1.01 -1.26 -1.42 120.40 118.39 2ddj s VAL 39 Ca 0.13 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.76 2ddj s VAL 39 Cb -0.05 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2ddj s VAL 39 CO 0.09 -0.04 0.12 -0.47 0.00 0.00 0.00 175.10 174.79 2ddj s TYR 40 N 2.31 2.46 0.00 5.22 5.04 -0.03 -4.07 117.35 128.28 2ddj s TYR 40 Ca 0.19 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2ddj s TYR 40 Cb -0.16 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.29 2ddj s TYR 40 CO 0.11 0.24 0.59 0.41 -1.34 0.00 0.00 175.55 175.56 2ddj n GLY 41 N -1.18 -0.64 3.35 8.97 0.00 0.33 -0.45 105.19 115.58 2ddj n GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ddj n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddj n GLY 42 N -0.09 1.55 1.21 -0.02 0.00 -1.26 -4.70 105.19 101.88 2ddj n GLY 42 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2ddj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddj n GLU 44 N -2.02 0.00 -3.84 0.00 4.71 -1.26 -4.88 120.64 113.35 2ddj n GLU 44 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.15 2ddj n GLU 44 Cb 0.19 -0.96 0.01 0.00 -1.01 0.00 0.00 31.44 29.66 2ddj n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddj s GLY 45 N -0.27 0.10 0.67 0.62 0.00 -1.26 -3.96 107.32 103.22 2ddj s GLY 45 Ca 0.59 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.98 2ddj s GLY 45 CO 0.41 1.06 0.93 -1.31 0.00 0.00 0.00 173.10 174.19 2ddj s ASN 46 N -3.19 4.59 0.18 1.64 -0.87 -1.26 -5.00 114.94 111.03 2ddj s ASN 46 Ca 0.18 -0.42 0.20 0.00 -1.57 0.00 0.00 52.86 51.25 2ddj s ASN 46 Cb -0.03 -0.05 0.87 0.00 -0.02 0.00 0.00 41.25 42.02 2ddj s ASN 46 CO 0.06 -1.69 1.62 0.61 -2.57 0.00 0.00 177.10 175.14 2ddj n GLY 47 N -2.67 -1.17 2.77 0.66 0.00 -1.26 -3.83 105.19 99.69 2ddj n GLY 47 Ca 0.14 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2ddj n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddj n ASN 48 N -2.01 4.58 -3.62 1.61 2.85 -1.26 -4.78 115.26 112.62 2ddj n ASN 48 Ca 0.02 -2.95 -0.24 0.00 -0.11 0.00 0.00 54.58 51.30 2ddj n ASN 48 Cb 0.20 -1.58 -0.17 0.00 1.24 0.00 0.00 39.78 39.47 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2ddj s ASN 49 N 2.15 1.96 0.16 1.20 3.84 -1.25 -4.58 114.94 118.42 2ddj s ASN 49 Ca 0.45 -0.39 0.10 0.00 0.21 0.00 0.00 52.86 53.23 2ddj s ASN 49 Cb 0.12 -0.19 -0.04 0.00 -0.55 0.00 0.00 41.25 40.60 2ddj s ASN 49 CO -0.05 -0.32 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.37 2ddj s PHE 50 N 2.16 2.41 -0.75 0.43 0.08 0.79 -4.96 117.98 118.15 2ddj s PHE 50 Ca 0.03 -0.32 0.23 0.00 0.12 0.00 0.00 56.93 56.99 2ddj s PHE 50 Cb -0.15 -1.24 0.14 0.00 -0.57 0.00 0.00 43.02 41.20 2ddj s PHE 50 CO -0.07 0.44 1.12 0.72 -0.10 0.00 0.00 175.22 177.32 2ddj n HIS 51 N 0.49 0.19 -3.74 0.36 8.25 -1.26 -1.13 115.22 118.38 2ddj n HIS 51 Ca -0.14 0.06 -0.07 0.00 -0.26 0.00 0.00 57.72 57.31 2ddj n HIS 51 Cb 0.54 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddj s SER 52 N -3.62 -0.28 0.12 0.41 1.04 -1.26 -4.90 113.70 105.21 2ddj s SER 52 Ca 0.06 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.90 2ddj s SER 52 Cb 0.15 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 2ddj s SER 52 CO 0.78 -1.10 1.67 -0.09 0.98 0.00 0.00 173.24 175.48 2ddj h ARG 53 N 2.00 0.50 -0.08 4.02 9.65 -1.98 -2.95 114.38 125.54 2ddj h ARG 53 Ca -0.23 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.58 2ddj h ARG 53 Cb 1.25 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2ddj h ARG 53 CO 0.26 0.49 -0.18 1.49 2.80 0.00 0.00 179.97 184.84 2ddj h GLU 54 N 0.39 -0.16 -0.45 0.20 4.81 -1.98 0.50 114.58 117.90 2ddj h GLU 54 Ca 0.11 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2ddj h GLU 54 Cb 0.18 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2ddj h GLU 54 CO -0.01 -0.11 0.30 0.66 -0.73 0.00 0.00 179.01 179.12 2ddj h SER 55 N -0.16 0.46 -0.15 1.04 4.64 -1.96 0.18 113.55 117.60 2ddj h SER 55 Ca 0.01 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2ddj h SER 55 Cb 0.21 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2ddj h SER 55 CO -0.16 0.33 -0.10 0.00 -0.87 0.00 0.00 176.83 176.02 2ddj h GLU 57 N -0.02 0.49 -0.78 0.00 5.08 0.01 -1.31 114.58 118.05 2ddj h GLU 57 Ca 0.03 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ddj h GLU 57 Cb 0.60 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 2ddj h GLU 57 CO 0.03 0.43 0.51 0.22 -1.00 0.00 0.00 179.01 179.20 2ddj h ASP 58 N 0.49 0.88 0.50 1.42 3.58 -0.75 -2.77 116.42 119.77 2ddj h ASP 58 Ca 0.12 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2ddj h ASP 58 Cb 0.14 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2ddj h ASP 58 CO -0.01 0.63 -0.41 0.00 -2.88 0.00 0.00 179.24 176.57 2ddj h ALA 59 N 1.30 -1.13 -2.77 -0.78 0.00 -0.21 -3.43 119.26 112.24 2ddj h ALA 59 Ca 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2ddj h ALA 59 Cb -0.09 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2ddj h ALA 59 CO -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 179.25 178.06 2ddj s PRO 61 N -3.50 3.23 0.34 0.00 0.04 -1.24 -3.91 135.00 129.95 2ddj s PRO 61 Ca 0.01 -0.24 0.03 0.00 0.04 0.00 0.00 61.00 60.84 2ddj s PRO 61 Cb 0.01 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.37 2ddj s PRO 61 CO -0.10 -2.02 0.36 0.08 0.04 0.00 0.00 177.00 175.36 2ddj s VAL 62 N 5.35 0.00 0.54 -0.36 1.01 -1.26 -5.02 120.40 120.66 2ddj s VAL 62 Ca 0.34 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 2ddj s VAL 62 Cb -0.09 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2ddj s VAL 62 CO 0.16 0.00 1.08 -0.69 0.00 0.00 0.00 175.10 175.65 2ddj s VAL 63 N -3.28 3.52 -0.02 2.92 1.01 -1.26 -4.97 120.40 118.32 2ddj s VAL 63 Ca 0.37 0.88 -0.37 0.00 0.00 0.00 0.00 61.98 62.85 2ddj s VAL 63 Cb 0.01 -3.34 -0.16 0.00 0.00 0.00 0.00 36.38 32.89 2ddj s VAL 63 CO 0.25 -0.27 1.53 -0.67 0.00 0.00 0.00 175.10 175.93 2ddj n ASP 64 N -1.43 2.18 -4.50 3.32 2.03 -1.26 -4.83 116.55 112.06 2ddj n ASP 64 Ca 0.10 1.09 -0.37 0.00 0.52 0.00 0.00 54.79 56.14 2ddj n ASP 64 Cb 0.52 -1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 39.67 2ddj n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddj n HIS 65 N 3.78 3.66 -0.66 -0.67 8.25 -1.26 -4.85 115.22 123.47 2ddj n HIS 65 Ca 0.21 -2.21 0.00 0.00 -0.26 0.00 0.00 57.72 55.46 2ddj n HIS 65 Cb 0.19 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 28.71 2ddj n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 66 N 10.86 0.00 -2.77 4.41 -0.00 -1.26 -4.91 115.22 121.54 2ddj n HIS 66 Ca 0.47 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.77 2ddj n HIS 66 Cb 0.46 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 2ddj n HIS 66 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ddj s HIS 67 N 0.94 3.44 -0.67 4.41 0.00 -1.26 -4.95 115.29 117.21 2ddj s HIS 67 Ca 0.00 1.43 -0.13 0.00 -3.00 0.00 0.00 55.06 53.35 2ddj s HIS 67 Cb 0.00 -3.12 -0.11 0.00 -4.00 0.00 0.00 32.58 25.34 2ddj s HIS 67 CO 0.00 -0.27 1.86 1.58 -1.00 0.00 0.00 174.74 176.90 2ddj n HIS 68 N 5.31 1.26 0.23 0.38 -0.00 0.31 -4.57 115.22 118.14 2ddj n HIS 68 Ca 0.07 -1.59 0.11 0.00 0.46 0.00 0.00 57.72 56.77 2ddj n HIS 68 Cb 0.48 -1.47 0.45 0.00 -0.12 0.00 0.00 29.99 29.33 2ddj n HIS 68 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2ddj h HIS 69 N 7.43 0.00 0.00 1.57 6.17 -1.68 -3.41 115.15 125.23 2ddj h HIS 69 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.47 2ddj h HIS 69 Cb 0.37 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.30 2ddj h HIS 69 CO 1.62 0.17 0.00 1.58 0.71 0.00 0.00 177.93 182.01