#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 -0.03 0.00 0.62 0.00 -1.26 -4.60 121.76 116.49 2ddj s ALA 2 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 2ddj s ALA 2 Cb 0.00 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2ddj s ALA 2 CO 0.00 -0.89 0.00 0.39 0.00 0.00 0.00 175.76 175.26 2ddj n GLU 3 N -0.53 0.00 -4.46 0.00 4.71 -1.26 -4.12 120.64 114.99 2ddj n GLU 3 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.81 2ddj n GLU 3 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.99 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ddj s ALA 4 N -2.88 4.28 0.09 0.62 0.00 -1.26 -5.05 121.76 117.55 2ddj s ALA 4 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2ddj s ALA 4 Cb 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 23.12 22.74 2ddj s ALA 4 CO 0.00 -0.17 1.69 0.93 0.00 0.00 0.00 175.76 178.20 2ddj h GLU 5 N 1.11 0.10 -5.67 0.00 4.39 -2.00 -3.26 114.58 109.24 2ddj h GLU 5 Ca -0.41 -0.01 -0.63 0.00 0.34 0.00 0.00 59.36 58.65 2ddj h GLU 5 Cb 1.31 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.81 2ddj h GLU 5 CO 0.68 0.14 1.05 0.12 -1.16 0.00 0.00 179.01 179.84 2ddj s PHE 6 N -5.90 2.71 -0.21 4.33 2.19 -1.26 -4.64 117.98 115.20 2ddj s PHE 6 Ca -0.13 -0.86 -0.29 0.00 0.33 0.00 0.00 56.93 55.98 2ddj s PHE 6 Cb 0.06 -4.48 0.14 0.00 -1.31 0.00 0.00 43.02 37.43 2ddj s PHE 6 CO 0.68 -1.76 1.08 0.99 1.83 0.00 0.00 175.22 178.03 2ddj s THR 7 N 4.18 0.00 -0.25 0.12 2.01 -1.23 -5.03 115.64 115.43 2ddj s THR 7 Ca 0.36 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 2ddj s THR 7 Cb -0.06 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.55 2ddj s THR 7 CO -0.03 0.00 0.16 -0.62 -0.69 0.00 0.00 174.62 173.44 2ddj s ASP 8 N -0.76 2.68 0.57 3.53 -1.08 -1.26 -4.97 116.67 115.39 2ddj s ASP 8 Ca 0.01 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.41 2ddj s ASP 8 Cb -0.02 -0.10 1.55 0.00 -1.46 0.00 0.00 42.92 42.89 2ddj s ASP 8 CO -0.02 -0.40 2.04 0.00 0.52 0.00 0.00 175.17 177.31 2ddj h ALA 9 N 8.38 2.03 -0.35 3.66 0.00 -1.93 -1.79 119.26 129.26 2ddj h ALA 9 Ca -0.17 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2ddj h ALA 9 Cb 1.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2ddj h ALA 9 CO 0.37 -0.44 0.24 0.00 0.00 0.00 0.00 179.25 179.42 2ddj n VAL 11 N -4.46 0.00 -4.22 0.00 0.31 -0.67 -4.69 118.33 104.61 2ddj n VAL 11 Ca 0.05 -0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 63.83 2ddj n VAL 11 Cb 0.35 0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 34.13 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 -2.47 3.74 0.97 7.52 2.96 -0.73 -5.11 118.68 125.55 2ddj s LEU 12 Ca 0.21 0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 54.13 2ddj s LEU 12 Cb 0.19 -2.05 0.17 0.00 0.50 0.00 0.00 46.19 44.99 2ddj s LEU 12 CO 0.55 0.32 1.10 -2.16 -1.32 0.00 0.00 176.35 174.83 2ddj s PRO 13 N -1.38 0.70 -0.25 0.98 0.04 -1.26 -4.83 135.00 129.00 2ddj s PRO 13 Ca 0.18 0.56 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 2ddj s PRO 13 Cb -0.12 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2ddj s PRO 13 CO 0.09 -2.56 1.66 0.00 0.04 0.00 0.00 177.00 176.23 2ddj s ALA 14 N -2.99 3.16 -0.23 8.56 0.00 -1.26 -4.63 121.76 124.36 2ddj s ALA 14 Ca 0.65 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 2ddj s ALA 14 Cb -0.18 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2ddj s ALA 14 CO 0.57 -2.14 0.46 0.08 0.00 0.00 0.00 175.76 174.73 2ddj s VAL 15 N 5.64 5.13 -0.16 0.00 1.01 -1.23 -4.93 120.40 125.85 2ddj s VAL 15 Ca 0.74 0.80 0.18 0.00 0.00 0.00 0.00 61.98 63.70 2ddj s VAL 15 Cb -0.24 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 2ddj s VAL 15 CO 0.31 0.16 0.95 1.56 0.00 0.00 0.00 175.10 178.08 2ddj h GLN 16 N 7.74 0.00 -0.29 2.72 4.20 -1.91 -3.44 115.11 124.14 2ddj h GLN 16 Ca -0.32 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.42 2ddj h GLN 16 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2ddj h GLN 16 CO 0.71 0.22 -0.07 0.41 -0.67 0.00 0.00 178.83 179.43 2ddj n GLY 17 N 1.32 -1.81 0.02 3.46 0.00 -1.25 -0.68 105.19 106.24 2ddj n GLY 17 Ca -0.06 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.27 0.14 -1.68 1.61 -0.04 -1.26 -4.81 135.00 126.69 2ddj n PRO 18 Ca -0.00 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 2ddj n PRO 18 Cb 0.06 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.23 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 -4.01 0.35 -2.71 0.00 1.74 -1.26 -4.85 116.66 105.91 2ddj n ARG 20 Ca 0.16 -0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 56.34 2ddj n ARG 20 Cb 0.57 -0.79 -0.02 0.00 -1.02 0.00 0.00 32.46 31.20 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddj s GLY 21 N -0.23 1.86 -0.29 -0.13 0.00 -1.26 -5.07 107.32 102.20 2ddj s GLY 21 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.52 2ddj s GLY 21 CO 0.00 -0.01 0.03 -0.98 0.00 0.00 0.00 173.10 172.14 2ddj s TRP 22 N -2.51 2.48 -0.32 1.90 0.23 -1.26 -4.06 118.94 115.40 2ddj s TRP 22 Ca 0.52 -2.05 -0.16 0.00 -2.03 0.00 0.00 56.10 52.38 2ddj s TRP 22 Cb -0.10 -1.97 -0.02 0.00 0.03 0.00 0.00 33.47 31.41 2ddj s TRP 22 CO 0.35 -0.85 0.39 -2.00 0.96 0.00 0.00 176.95 175.80 2ddj s GLU 23 N 1.35 3.69 0.08 4.98 2.56 0.52 -4.95 118.70 126.95 2ddj s GLU 23 Ca 0.04 -0.25 -0.31 0.00 0.00 0.00 0.00 54.97 54.45 2ddj s GLU 23 Cb -0.18 -3.77 -0.07 0.00 2.00 0.00 0.00 34.13 32.11 2ddj s GLU 23 CO -0.13 -0.48 1.40 -1.25 -0.56 0.00 0.00 175.26 174.24 2ddj s PRO 24 N 2.09 4.31 0.36 4.30 0.04 -1.26 -1.20 135.00 143.64 2ddj s PRO 24 Ca 0.14 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2ddj s PRO 24 Cb -0.16 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2ddj s PRO 24 CO 0.11 -0.48 0.15 0.54 0.04 0.00 0.00 177.00 177.37 2ddj n ARG 25 N 4.38 0.57 -5.05 4.56 5.12 -0.40 -4.94 116.66 120.90 2ddj n ARG 25 Ca 0.12 -3.13 -0.28 0.00 -1.93 0.00 0.00 57.85 52.63 2ddj n ARG 25 Cb 0.43 1.85 -0.16 0.00 -1.16 0.00 0.00 32.46 33.41 2ddj n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ddj s TRP 26 N -3.00 1.99 0.01 -1.55 0.52 0.32 -0.03 118.94 117.20 2ddj s TRP 26 Ca 0.22 -0.48 -0.03 0.00 0.02 0.00 0.00 56.10 55.83 2ddj s TRP 26 Cb 0.01 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 2ddj s TRP 26 CO 0.15 -0.11 0.04 0.00 0.02 0.00 0.00 176.95 177.05 2ddj s ALA 27 N -0.28 -0.06 0.14 0.98 0.00 -0.44 0.12 121.76 122.21 2ddj s ALA 27 Ca 0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2ddj s ALA 27 Cb -0.10 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2ddj s ALA 27 CO 0.01 -0.15 1.06 -0.47 0.00 0.00 0.00 175.76 176.21 2ddj s TYR 28 N -1.14 3.65 -0.25 0.00 5.04 -1.26 -1.57 117.35 121.83 2ddj s TYR 28 Ca -0.12 1.64 -0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2ddj s TYR 28 Cb -0.07 -3.21 0.04 0.00 0.35 0.00 0.00 41.96 39.07 2ddj s TYR 28 CO -0.00 -0.38 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.63 2ddj s SER 29 N 0.07 4.30 0.33 4.32 0.01 -0.06 -4.69 113.70 117.99 2ddj s SER 29 Ca 0.50 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.78 2ddj s SER 29 Cb -0.27 -1.62 0.56 0.00 0.21 0.00 0.00 66.02 64.90 2ddj s SER 29 CO 0.32 -0.15 1.76 1.55 0.41 0.00 0.00 173.24 177.13 2ddj h PRO 30 N 7.93 0.17 0.00 12.44 0.13 -1.83 0.13 132.00 150.98 2ddj h PRO 30 Ca -0.29 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.52 0.00 -0.07 -0.23 0.00 0.00 178.00 178.77 2ddj h LEU 31 N 0.15 0.00 -0.81 1.56 4.07 -1.94 -0.73 115.31 117.61 2ddj h LEU 31 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2ddj h LEU 31 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2ddj h LEU 31 CO 0.05 0.00 -0.13 0.18 -1.08 0.00 0.00 178.44 177.47 2ddj n LEU 32 N -2.46 1.16 -1.82 1.67 4.77 -0.82 -5.00 117.00 114.51 2ddj n LEU 32 Ca -0.00 -0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2ddj n LEU 32 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2ddj n LEU 32 CO 0.16 0.24 -0.13 1.67 -1.33 0.00 0.00 177.39 178.01 2ddj n GLN 33 N -0.16 -1.70 -3.85 3.23 7.27 0.36 -4.89 117.38 117.64 2ddj n GLN 33 Ca 0.03 0.63 -0.07 0.00 0.07 0.00 0.00 57.00 57.66 2ddj n GLN 33 Cb 0.17 -5.01 -0.02 0.00 2.41 0.00 0.00 30.24 27.79 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 -3.87 1.74 0.26 3.69 0.74 -0.55 -4.57 119.66 117.10 2ddj s GLN 34 Ca 0.00 -0.99 -0.13 0.00 0.05 0.00 0.00 55.36 54.29 2ddj s GLN 34 Cb 0.00 0.60 -0.08 0.00 1.10 0.00 0.00 33.01 34.63 2ddj s GLN 34 CO 0.00 -0.79 0.64 0.00 -0.55 0.00 0.00 175.29 174.59 2ddj s HIS 36 N -1.84 0.22 0.89 0.00 -3.43 -0.61 -4.95 115.29 105.57 2ddj s HIS 36 Ca 0.49 -0.61 -0.10 0.00 -0.80 0.00 0.00 55.06 54.04 2ddj s HIS 36 Cb -0.11 -0.14 0.13 0.00 -1.43 0.00 0.00 32.58 31.02 2ddj s HIS 36 CO 0.19 -0.44 1.12 -2.14 -2.00 0.00 0.00 174.74 171.47 2ddj s PRO 37 N -3.33 1.27 0.32 -0.38 0.02 -1.26 -1.33 135.00 130.32 2ddj s PRO 37 Ca 0.01 1.37 -0.18 0.00 0.02 0.00 0.00 61.00 62.22 2ddj s PRO 37 Cb 0.03 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.83 2ddj s PRO 37 CO -0.08 -2.40 0.81 -0.59 -0.33 0.00 0.00 177.00 174.41 2ddj s PHE 38 N -2.72 0.02 -0.25 6.54 -0.71 0.96 -4.80 117.98 117.01 2ddj s PHE 38 Ca 0.65 -0.59 -0.09 0.00 -1.04 0.00 0.00 56.93 55.86 2ddj s PHE 38 Cb -0.21 0.78 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 2ddj s PHE 38 CO 0.58 -1.37 0.11 0.08 -1.34 0.00 0.00 175.22 173.27 2ddj s VAL 39 N -2.75 4.68 0.38 -2.49 1.01 -1.26 -1.28 120.40 118.68 2ddj s VAL 39 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.15 2ddj s VAL 39 Cb -0.05 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 2ddj s VAL 39 CO 0.09 0.32 0.01 -0.47 0.00 0.00 0.00 175.10 175.05 2ddj s TYR 40 N 1.56 2.36 -0.54 5.22 5.04 -0.34 -4.63 117.35 126.01 2ddj s TYR 40 Ca 0.06 -0.72 0.07 0.00 -2.44 0.00 0.00 57.07 54.05 2ddj s TYR 40 Cb -0.15 -1.61 0.21 0.00 0.35 0.00 0.00 41.96 40.76 2ddj s TYR 40 CO 0.06 0.36 1.17 0.41 -1.34 0.00 0.00 175.55 176.20 2ddj n GLY 41 N -0.87 2.97 4.21 8.97 0.00 0.14 -0.35 105.19 120.26 2ddj n GLY 41 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.05 2.01 1.10 -0.02 0.00 -1.26 -4.62 105.19 102.45 2ddj n GLY 42 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.75 0.00 -3.42 0.00 4.71 -1.26 -4.84 120.64 114.08 2ddj n GLU 44 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2ddj n GLU 44 Cb 0.16 -0.88 0.01 0.00 -1.01 0.00 0.00 31.44 29.73 2ddj n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ddj n GLY 45 N 1.13 0.54 0.00 0.62 0.00 -1.26 -3.92 105.19 102.31 2ddj n GLY 45 Ca 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2ddj n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ddj n ASN 46 N -1.01 1.64 0.07 1.61 4.13 -1.26 -5.07 115.26 115.36 2ddj n ASN 46 Ca 0.01 -0.99 -0.10 0.00 1.68 0.00 0.00 54.58 55.18 2ddj n ASN 46 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 2ddj n ASN 46 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2ddj h GLY 47 N 0.00 0.38 -6.15 7.41 0.00 -1.82 -3.36 103.07 99.52 2ddj h GLY 47 Ca 0.00 -0.60 -0.69 0.00 0.00 0.00 0.00 47.33 46.03 2ddj h GLY 47 CO 0.00 0.54 2.92 -2.01 0.00 0.00 0.00 176.54 177.98 2ddj n ASN 48 N -3.76 3.58 -3.29 0.19 5.15 -1.26 -1.14 115.26 114.73 2ddj n ASN 48 Ca -0.05 -2.80 0.03 0.00 -0.60 0.00 0.00 54.58 51.16 2ddj n ASN 48 Cb 0.77 -1.54 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddj s ASN 49 N 3.65 -1.00 0.17 1.20 3.84 -1.24 -3.56 114.94 117.99 2ddj s ASN 49 Ca 0.50 0.87 0.05 0.00 0.21 0.00 0.00 52.86 54.48 2ddj s ASN 49 Cb 0.14 1.94 -0.05 0.00 -0.55 0.00 0.00 41.25 42.73 2ddj s ASN 49 CO -0.04 -0.19 -0.09 -0.36 -2.79 0.00 0.00 177.10 173.63 2ddj s PHE 50 N 2.82 1.40 -0.90 0.43 0.08 0.12 0.34 117.98 122.28 2ddj s PHE 50 Ca 0.07 -0.75 0.23 0.00 0.12 0.00 0.00 56.93 56.60 2ddj s PHE 50 Cb -0.12 -0.72 0.18 0.00 -0.57 0.00 0.00 43.02 41.79 2ddj s PHE 50 CO -0.18 0.12 1.17 0.72 -0.10 0.00 0.00 175.22 176.95 2ddj n HIS 51 N -0.27 0.07 -3.82 0.36 8.25 -1.26 -0.52 115.22 118.03 2ddj n HIS 51 Ca -0.09 0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 2ddj n HIS 51 Cb 0.61 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.25 -0.10 0.06 0.41 1.04 -1.26 -4.88 113.70 105.72 2ddj s SER 52 Ca 0.08 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 2ddj s SER 52 Cb 0.16 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.60 2ddj s SER 52 CO 0.77 -0.93 1.62 -0.09 0.98 0.00 0.00 173.24 175.60 2ddj h ARG 53 N 2.41 -0.03 -0.28 4.02 9.65 -1.98 -2.90 114.38 125.27 2ddj h ARG 53 Ca -0.31 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.60 2ddj h ARG 53 Cb 1.24 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.79 2ddj h ARG 53 CO 0.45 0.09 -0.20 1.49 2.80 0.00 0.00 179.97 184.60 2ddj h GLU 54 N -0.14 -0.04 -0.50 0.20 4.22 -1.98 0.98 114.58 117.31 2ddj h GLU 54 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2ddj h GLU 54 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2ddj h GLU 54 CO 0.01 -0.03 0.24 0.66 -2.18 0.00 0.00 179.01 177.71 2ddj h SER 55 N -0.04 0.62 -0.24 1.04 4.64 -1.97 -1.05 113.55 116.54 2ddj h SER 55 Ca 0.05 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2ddj h SER 55 Cb 0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2ddj h SER 55 CO -0.29 0.52 -0.05 0.00 -0.87 0.00 0.00 176.83 176.15 2ddj h GLU 57 N 0.21 0.53 -0.73 0.00 4.39 0.12 -0.03 114.58 119.08 2ddj h GLU 57 Ca 0.06 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2ddj h GLU 57 Cb 0.51 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2ddj h GLU 57 CO 0.02 0.47 0.27 0.22 -1.16 0.00 0.00 179.01 178.83 2ddj h ASP 58 N 0.53 1.03 -0.45 1.42 3.58 -1.07 -2.01 116.42 119.45 2ddj h ASP 58 Ca 0.13 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.42 2ddj h ASP 58 Cb 0.16 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2ddj h ASP 58 CO -0.01 0.94 0.30 0.00 -2.88 0.00 0.00 179.24 177.59 2ddj h ALA 59 N 1.13 1.82 0.00 -0.78 0.00 -0.09 -3.42 119.26 117.92 2ddj h ALA 59 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ddj h ALA 59 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ddj h ALA 59 CO -0.01 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2ddj s PRO 61 N -2.00 3.39 0.24 0.00 0.04 -1.14 -3.73 135.00 131.80 2ddj s PRO 61 Ca 0.00 -1.56 0.01 0.00 0.04 0.00 0.00 61.00 59.48 2ddj s PRO 61 Cb 0.00 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 2ddj s PRO 61 CO 0.00 -1.68 0.18 0.08 0.04 0.00 0.00 177.00 175.62 2ddj s VAL 62 N 2.69 0.00 1.19 -0.36 1.01 -1.25 -5.00 120.40 118.67 2ddj s VAL 62 Ca 0.25 -1.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.11 2ddj s VAL 62 Cb -0.12 -2.49 0.29 0.00 0.00 0.00 0.00 36.38 34.06 2ddj s VAL 62 CO -0.02 0.00 1.02 -0.69 0.00 0.00 0.00 175.10 175.41 2ddj s VAL 63 N -3.95 1.90 -0.42 2.92 1.01 -1.26 -4.78 120.40 115.82 2ddj s VAL 63 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.99 2ddj s VAL 63 Cb 0.05 -2.14 -0.16 0.00 0.00 0.00 0.00 36.38 34.14 2ddj s VAL 63 CO 0.16 0.00 1.63 -0.67 0.00 0.00 0.00 175.10 176.22 2ddj n ASP 64 N -4.94 0.76 -4.57 3.32 2.03 -1.26 -4.75 116.55 107.14 2ddj n ASP 64 Ca 0.04 0.71 -0.40 0.00 0.52 0.00 0.00 54.79 55.67 2ddj n ASP 64 Cb 0.56 -0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 2ddj n ASP 64 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ddj s HIS 65 N 4.14 1.58 -0.55 -0.67 3.76 -1.26 -4.76 115.29 117.52 2ddj s HIS 65 Ca 0.96 0.86 -0.24 0.00 -0.15 0.00 0.00 55.06 56.49 2ddj s HIS 65 Cb -1.25 -4.00 -0.14 0.00 1.11 0.00 0.00 32.58 28.30 2ddj s HIS 65 CO 0.60 -2.67 1.66 -2.39 -0.85 0.00 0.00 174.74 171.08 2ddj n HIS 66 N 12.41 0.51 -3.80 1.40 1.44 -1.26 -4.93 115.22 121.00 2ddj n HIS 66 Ca 0.25 0.34 -0.09 0.00 -2.01 0.00 0.00 57.72 56.21 2ddj n HIS 66 Cb 0.50 -1.56 -0.06 0.00 0.12 0.00 0.00 29.99 28.99 2ddj n HIS 66 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ddj s HIS 67 N 5.27 0.06 -1.07 -1.40 -3.43 -1.26 -5.07 115.29 108.38 2ddj s HIS 67 Ca 0.86 -0.46 -0.22 0.00 -0.80 0.00 0.00 55.06 54.45 2ddj s HIS 67 Cb -0.89 0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 30.20 2ddj s HIS 67 CO 0.36 -0.59 1.92 1.58 -2.00 0.00 0.00 174.74 176.01 2ddj n HIS 68 N -0.11 2.66 0.23 0.38 -0.00 -1.26 -4.76 115.22 112.35 2ddj n HIS 68 Ca -0.15 -1.74 0.07 0.00 -0.00 0.00 0.00 57.72 55.90 2ddj n HIS 68 Cb 0.63 -2.33 0.54 0.00 -0.00 0.00 0.00 29.99 28.82 2ddj n HIS 68 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ddj h HIS 69 N 8.82 0.00 0.00 1.57 6.17 -1.96 -3.44 115.15 126.31 2ddj h HIS 69 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.40 2ddj h HIS 69 Cb 0.84 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.77 2ddj h HIS 69 CO 1.25 0.21 0.00 1.58 0.71 0.00 0.00 177.93 181.68