#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj n ALA 2 N 0.00 0.00 0.07 0.62 0.00 -1.26 -4.96 120.51 114.98 2ddj n ALA 2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2ddj n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ddj n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 3 N 0.00 0.00 -5.23 0.00 3.07 -1.89 -3.45 114.58 107.08 2ddj h GLU 3 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.46 2ddj h GLU 3 Cb 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2ddj h GLU 3 CO 0.00 0.22 1.34 0.00 -1.40 0.00 0.00 179.01 179.18 2ddj n ALA 4 N -2.30 2.11 0.16 3.43 0.00 -1.26 -4.61 120.51 118.04 2ddj n ALA 4 Ca -0.05 -3.07 0.03 0.00 0.00 0.00 0.00 53.44 50.35 2ddj n ALA 4 Cb 0.73 -3.52 0.41 0.00 0.00 0.00 0.00 19.45 17.07 2ddj n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 5 N 9.32 0.12 0.00 0.00 5.08 -2.01 -3.45 114.58 123.63 2ddj h GLU 5 Ca 0.26 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 2ddj h GLU 5 Cb 0.87 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 2ddj h GLU 5 CO 1.40 0.33 -0.03 0.34 -1.00 0.00 0.00 179.01 180.05 2ddj n PHE 6 N -4.24 -1.63 -2.22 4.33 7.35 -1.26 -5.07 117.46 114.72 2ddj n PHE 6 Ca -0.02 -2.07 -0.34 0.00 -0.76 0.00 0.00 57.45 54.27 2ddj n PHE 6 Cb 0.30 0.61 -0.04 0.00 0.35 0.00 0.00 39.48 40.70 2ddj n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2ddj s THR 7 N -2.62 3.56 0.50 -2.13 2.01 -1.26 -4.91 115.64 110.79 2ddj s THR 7 Ca 0.24 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 2ddj s THR 7 Cb -0.02 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.18 2ddj s THR 7 CO 0.17 -1.26 0.74 -0.62 -0.69 0.00 0.00 174.62 172.96 2ddj s ASP 8 N 6.88 5.60 0.55 3.53 2.15 -1.26 -4.98 116.67 129.14 2ddj s ASP 8 Ca 0.60 0.23 0.25 0.00 0.43 0.00 0.00 52.55 54.07 2ddj s ASP 8 Cb -0.07 -1.32 1.44 0.00 -0.30 0.00 0.00 42.92 42.67 2ddj s ASP 8 CO 0.04 -0.90 2.02 0.00 -0.17 0.00 0.00 175.17 176.16 2ddj h ALA 9 N 0.21 2.29 0.00 3.66 0.00 -1.92 -0.45 119.26 123.04 2ddj h ALA 9 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2ddj h ALA 9 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ddj h ALA 9 CO 0.56 -0.52 -0.05 0.00 0.00 0.00 0.00 179.25 179.24 2ddj n VAL 11 N -4.36 0.00 -4.18 0.00 0.31 -0.18 -4.62 118.33 105.30 2ddj n VAL 11 Ca -0.03 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 63.86 2ddj n VAL 11 Cb 0.13 0.23 -0.08 0.00 -0.91 0.00 0.00 33.84 33.22 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 -2.44 3.71 0.97 7.52 2.96 -0.59 -4.99 118.68 125.82 2ddj s LEU 12 Ca 0.27 0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 2ddj s LEU 12 Cb 0.20 -2.16 0.17 0.00 0.50 0.00 0.00 46.19 44.90 2ddj s LEU 12 CO 0.49 0.27 1.12 -2.16 -1.32 0.00 0.00 176.35 174.75 2ddj s PRO 13 N -1.69 0.69 0.58 0.98 0.04 -1.26 -4.80 135.00 129.53 2ddj s PRO 13 Ca 0.22 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.39 2ddj s PRO 13 Cb -0.12 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2ddj s PRO 13 CO 0.13 -2.51 1.19 0.00 0.04 0.00 0.00 177.00 175.84 2ddj s ALA 14 N -3.16 2.57 -0.06 8.56 0.00 -1.26 -4.67 121.76 123.74 2ddj s ALA 14 Ca 0.65 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2ddj s ALA 14 Cb -0.16 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2ddj s ALA 14 CO 0.55 -1.08 -0.05 0.08 0.00 0.00 0.00 175.76 175.26 2ddj s VAL 15 N -1.64 0.62 -0.20 0.00 1.01 -1.26 -5.03 120.40 113.90 2ddj s VAL 15 Ca 0.76 -0.13 0.17 0.00 0.00 0.00 0.00 61.98 62.79 2ddj s VAL 15 Cb -0.29 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.48 2ddj s VAL 15 CO 0.32 0.26 1.29 1.56 0.00 0.00 0.00 175.10 178.53 2ddj h GLN 16 N 7.51 0.00 0.00 2.72 4.20 -1.91 -3.42 115.11 124.22 2ddj h GLN 16 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2ddj h GLN 16 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2ddj h GLN 16 CO 0.42 0.34 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 2ddj n GLY 17 N 1.24 -1.01 0.01 3.46 0.00 -1.25 -0.21 105.19 107.44 2ddj n GLY 17 Ca -0.00 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.14 0.14 -0.70 1.61 -0.04 -1.26 -4.79 135.00 128.82 2ddj n PRO 18 Ca 0.00 -0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2ddj n PRO 18 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.80 0.21 -2.74 0.00 3.00 -1.26 -4.92 116.66 108.15 2ddj n ARG 20 Ca 0.08 -0.51 -0.29 0.00 -0.01 0.00 0.00 57.85 57.12 2ddj n ARG 20 Cb 0.29 -0.75 -0.01 0.00 0.00 0.00 0.00 32.46 31.98 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 -0.18 1.70 -0.04 -0.13 0.00 -1.26 -5.09 107.32 102.33 2ddj s GLY 21 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 2ddj s GLY 21 CO 0.00 -0.20 0.05 -0.98 0.00 0.00 0.00 173.10 171.97 2ddj s TRP 22 N -2.57 0.10 -0.13 1.90 0.23 -1.26 -4.07 118.94 113.15 2ddj s TRP 22 Ca 0.49 0.18 -0.00 0.00 -2.03 0.00 0.00 56.10 54.74 2ddj s TRP 22 Cb -0.10 -0.43 -0.02 0.00 0.03 0.00 0.00 33.47 32.95 2ddj s TRP 22 CO 0.39 -0.17 -0.12 -2.00 0.96 0.00 0.00 176.95 176.01 2ddj s GLU 23 N 1.81 3.41 -0.30 4.98 2.12 0.49 -4.95 118.70 126.26 2ddj s GLU 23 Ca 0.01 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 2ddj s GLU 23 Cb -0.12 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.60 2ddj s GLU 23 CO -0.03 0.22 1.43 -1.25 -0.54 0.00 0.00 175.26 175.08 2ddj s PRO 24 N 0.35 3.80 0.43 4.30 0.04 -1.26 -1.24 135.00 141.42 2ddj s PRO 24 Ca -0.10 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2ddj s PRO 24 Cb -0.16 -3.96 0.05 0.00 0.04 0.00 0.00 34.50 30.47 2ddj s PRO 24 CO 0.05 -1.27 0.39 0.54 0.04 0.00 0.00 177.00 176.75 2ddj n ARG 25 N 7.58 0.82 -4.50 4.56 5.12 -0.26 -4.93 116.66 125.05 2ddj n ARG 25 Ca 0.16 -2.63 -0.20 0.00 -1.93 0.00 0.00 57.85 53.25 2ddj n ARG 25 Cb 0.46 0.18 -0.15 0.00 -1.16 0.00 0.00 32.46 31.80 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 -2.06 1.05 0.02 -1.55 0.52 0.24 -0.40 118.94 116.77 2ddj s TRP 26 Ca 0.29 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 56.20 2ddj s TRP 26 Cb -0.02 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.60 2ddj s TRP 26 CO 0.19 -0.01 -0.03 0.00 0.02 0.00 0.00 176.95 177.11 2ddj s ALA 27 N -0.32 0.17 0.17 0.98 0.00 -0.64 -0.27 121.76 121.84 2ddj s ALA 27 Ca 0.04 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 2ddj s ALA 27 Cb -0.05 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 2ddj s ALA 27 CO -0.00 -0.18 0.88 -0.47 0.00 0.00 0.00 175.76 175.99 2ddj s TYR 28 N -1.72 3.90 -0.25 0.00 5.04 -1.26 -1.35 117.35 121.69 2ddj s TYR 28 Ca -0.13 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 2ddj s TYR 28 Cb -0.08 -2.92 0.04 0.00 0.35 0.00 0.00 41.96 39.35 2ddj s TYR 28 CO -0.02 0.39 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.38 2ddj s SER 29 N -0.75 4.28 0.24 4.32 0.01 -0.38 -4.75 113.70 116.66 2ddj s SER 29 Ca 0.41 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 2ddj s SER 29 Cb -0.24 -1.61 0.26 0.00 0.21 0.00 0.00 66.02 64.64 2ddj s SER 29 CO 0.29 -0.15 1.64 1.55 0.41 0.00 0.00 173.24 176.98 2ddj h PRO 30 N 7.93 0.60 0.00 12.44 0.13 -1.83 0.32 132.00 151.58 2ddj h PRO 30 Ca -0.29 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2ddj h PRO 30 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.84 0.00 1.28 -0.23 0.00 0.00 178.00 180.43 2ddj n LEU 31 N -4.08 0.65 -0.24 1.56 4.77 -1.26 -0.70 117.00 117.70 2ddj n LEU 31 Ca -0.01 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.72 2ddj n LEU 31 Cb 0.46 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2ddj n LEU 31 CO 0.44 -0.71 0.24 0.18 -1.33 0.00 0.00 177.39 176.21 2ddj n LEU 32 N -2.27 1.28 -2.54 2.23 4.77 -0.97 -5.00 117.00 114.50 2ddj n LEU 32 Ca 0.01 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.08 2ddj n LEU 32 Cb 0.16 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2ddj n LEU 32 CO 0.16 0.26 -0.11 1.67 -1.33 0.00 0.00 177.39 178.04 2ddj n GLN 33 N -0.13 -2.50 -3.75 3.23 7.27 0.12 -4.90 117.38 116.73 2ddj n GLN 33 Ca 0.04 0.44 -0.04 0.00 0.07 0.00 0.00 57.00 57.51 2ddj n GLN 33 Cb 0.21 -5.03 -0.01 0.00 2.41 0.00 0.00 30.24 27.82 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 -5.11 1.21 0.28 3.69 0.74 -0.63 -4.54 119.66 115.30 2ddj s GLN 34 Ca 0.03 -0.66 -0.12 0.00 0.05 0.00 0.00 55.36 54.66 2ddj s GLN 34 Cb -0.02 0.42 -0.08 0.00 1.10 0.00 0.00 33.01 34.43 2ddj s GLN 34 CO 0.04 -0.55 0.65 0.00 -0.55 0.00 0.00 175.29 174.88 2ddj s HIS 36 N -1.92 0.35 0.93 0.00 -3.43 -0.46 -4.94 115.29 105.82 2ddj s HIS 36 Ca 0.51 -0.75 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 2ddj s HIS 36 Cb -0.11 -0.26 0.15 0.00 -1.43 0.00 0.00 32.58 30.93 2ddj s HIS 36 CO 0.19 -0.32 1.10 -2.14 -2.00 0.00 0.00 174.74 171.57 2ddj s PRO 37 N -2.79 0.99 0.30 -0.38 0.02 -1.26 -1.63 135.00 130.25 2ddj s PRO 37 Ca -0.03 1.08 -0.20 0.00 0.02 0.00 0.00 61.00 61.86 2ddj s PRO 37 Cb -0.00 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.79 2ddj s PRO 37 CO -0.06 -2.50 0.77 -0.59 -0.33 0.00 0.00 177.00 174.29 2ddj s PHE 38 N -2.77 -0.09 -0.15 6.54 -0.71 0.46 -4.80 117.98 116.46 2ddj s PHE 38 Ca 0.65 -0.42 -0.10 0.00 -1.04 0.00 0.00 56.93 56.01 2ddj s PHE 38 Cb -0.20 0.74 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 2ddj s PHE 38 CO 0.58 -1.30 0.19 0.08 -1.34 0.00 0.00 175.22 173.43 2ddj s VAL 39 N -3.35 5.39 0.04 -2.49 1.01 -1.26 -1.10 120.40 118.64 2ddj s VAL 39 Ca 0.13 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ddj s VAL 39 Cb -0.05 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2ddj s VAL 39 CO 0.08 0.50 -0.04 -0.47 0.00 0.00 0.00 175.10 175.16 2ddj s TYR 40 N -0.17 0.45 -2.18 5.22 5.04 -0.37 -4.37 117.35 120.96 2ddj s TYR 40 Ca 0.13 -0.67 0.23 0.00 -2.44 0.00 0.00 57.07 54.32 2ddj s TYR 40 Cb -0.12 -0.30 0.57 0.00 0.35 0.00 0.00 41.96 42.46 2ddj s TYR 40 CO 0.02 -0.20 1.49 0.41 -1.34 0.00 0.00 175.55 175.93 2ddj n GLY 41 N 1.13 2.14 3.77 8.97 0.00 0.71 -0.38 105.19 121.54 2ddj n GLY 41 Ca -0.21 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.60 1.69 1.13 -0.02 0.00 -1.26 -4.64 105.19 103.69 2ddj n GLY 42 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.97 0.00 -3.81 0.00 4.71 -1.26 -4.87 120.64 113.43 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 0.17 -0.91 -0.01 0.00 -1.01 0.00 0.00 31.44 29.68 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 -0.07 0.37 0.62 0.00 -1.26 -3.89 107.32 102.82 2ddj s GLY 45 Ca 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.11 2ddj s GLY 45 CO 0.39 0.20 0.51 0.70 0.00 0.00 0.00 173.10 174.90 2ddj n ASN 46 N -0.67 0.78 0.24 1.64 4.13 -1.26 -5.02 115.26 115.11 2ddj n ASN 46 Ca -0.05 -1.64 0.14 0.00 1.68 0.00 0.00 54.58 54.71 2ddj n ASN 46 Cb 0.60 -0.32 0.47 0.00 -1.54 0.00 0.00 39.78 38.99 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 -0.25 0.00 -6.40 7.41 0.00 -1.93 -3.34 103.07 98.56 2ddj h GLY 47 Ca -0.17 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.45 2ddj h GLY 47 CO 0.19 0.00 2.81 -2.01 0.00 0.00 0.00 176.54 177.53 2ddj n ASN 48 N -3.16 4.23 -3.39 0.19 2.85 -1.26 -4.76 115.26 109.95 2ddj n ASN 48 Ca 0.01 -2.89 -0.04 0.00 -0.11 0.00 0.00 54.58 51.55 2ddj n ASN 48 Cb 0.41 -1.65 -0.06 0.00 1.24 0.00 0.00 39.78 39.73 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 3.06 -0.50 0.20 1.20 3.84 -1.26 -4.37 114.94 117.11 2ddj s ASN 49 Ca 0.47 0.73 0.08 0.00 0.21 0.00 0.00 52.86 54.36 2ddj s ASN 49 Cb 0.11 1.62 -0.04 0.00 -0.55 0.00 0.00 41.25 42.38 2ddj s ASN 49 CO -0.05 -0.26 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.47 2ddj s PHE 50 N 2.69 1.79 -0.83 0.43 0.08 0.63 -4.95 117.98 117.83 2ddj s PHE 50 Ca 0.10 -0.51 0.23 0.00 0.12 0.00 0.00 56.93 56.87 2ddj s PHE 50 Cb -0.14 -0.85 0.16 0.00 -0.57 0.00 0.00 43.02 41.62 2ddj s PHE 50 CO -0.17 0.38 1.15 0.72 -0.10 0.00 0.00 175.22 177.19 2ddj n HIS 51 N -0.15 0.13 -3.99 0.36 8.25 -1.26 -0.59 115.22 117.97 2ddj n HIS 51 Ca -0.10 0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 2ddj n HIS 51 Cb 0.59 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.42 0.12 0.11 0.41 1.04 -1.26 -4.78 113.70 105.92 2ddj s SER 52 Ca 0.07 -0.92 -0.16 0.00 0.48 0.00 0.00 55.95 55.43 2ddj s SER 52 Cb 0.16 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2ddj s SER 52 CO 0.78 -0.83 1.58 -0.09 0.98 0.00 0.00 173.24 175.65 2ddj h ARG 53 N 2.65 0.61 -0.19 4.02 9.65 -1.98 -3.09 114.38 126.04 2ddj h ARG 53 Ca -0.33 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.40 2ddj h ARG 53 Cb 1.22 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 2ddj h ARG 53 CO 0.52 0.70 -0.20 1.49 2.80 0.00 0.00 179.97 185.28 2ddj h GLU 54 N 0.43 -0.10 -0.81 0.20 4.22 -1.98 0.79 114.58 117.34 2ddj h GLU 54 Ca 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 2ddj h GLU 54 Cb 0.40 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2ddj h GLU 54 CO 0.01 -0.07 0.48 0.66 -2.18 0.00 0.00 179.01 177.91 2ddj h SER 55 N -0.10 0.97 -0.24 1.04 4.64 -1.97 0.16 113.55 118.05 2ddj h SER 55 Ca 0.03 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2ddj h SER 55 Cb 0.19 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2ddj h SER 55 CO -0.24 0.76 0.06 0.00 -0.87 0.00 0.00 176.83 176.54 2ddj h GLU 57 N 0.21 0.39 0.00 0.00 5.08 -0.23 -0.34 114.58 119.69 2ddj h GLU 57 Ca 0.08 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2ddj h GLU 57 Cb 0.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2ddj h GLU 57 CO -0.00 0.50 -0.12 0.22 -1.00 0.00 0.00 179.01 178.61 2ddj h ASP 58 N 0.37 0.00 0.00 1.42 3.58 -0.19 -3.26 116.42 118.33 2ddj h ASP 58 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2ddj h ASP 58 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2ddj h ASP 58 CO 0.02 0.12 -0.03 0.00 -2.88 0.00 0.00 179.24 176.48 2ddj h ALA 59 N 1.88 0.00 -2.40 -0.78 0.00 0.47 -3.31 119.26 115.11 2ddj h ALA 59 Ca -0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2ddj h ALA 59 Cb 0.36 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 2ddj h ALA 59 CO 0.02 0.03 -0.65 0.00 0.00 0.00 0.00 179.25 178.64 2ddj n PRO 61 N -0.10 0.46 -2.61 0.00 -0.04 -1.26 -3.75 135.00 127.69 2ddj n PRO 61 Ca -0.06 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 2ddj n PRO 61 Cb 0.64 -1.16 0.06 0.00 -0.04 0.00 0.00 33.50 32.99 2ddj n PRO 61 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ddj s VAL 62 N -2.00 2.50 0.49 0.52 1.01 -1.26 -4.85 120.40 116.81 2ddj s VAL 62 Ca 0.07 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 2ddj s VAL 62 Cb 0.03 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2ddj s VAL 62 CO 0.05 0.00 1.35 -0.69 0.00 0.00 0.00 175.10 175.81 2ddj s VAL 63 N -2.88 2.28 -0.02 2.92 1.01 -1.26 -4.84 120.40 117.61 2ddj s VAL 63 Ca 0.60 0.23 -0.35 0.00 0.00 0.00 0.00 61.98 62.46 2ddj s VAL 63 Cb -0.09 -3.12 -0.13 0.00 0.00 0.00 0.00 36.38 33.04 2ddj s VAL 63 CO 0.40 0.01 1.74 -0.67 0.00 0.00 0.00 175.10 176.59 2ddj n ASP 64 N -0.55 3.15 -4.56 3.32 2.03 -1.23 -4.81 116.55 113.90 2ddj n ASP 64 Ca 0.07 1.02 -0.30 0.00 0.52 0.00 0.00 54.79 56.11 2ddj n ASP 64 Cb 0.44 -1.36 -0.05 0.00 -0.72 0.00 0.00 41.12 39.43 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 5.29 2.93 -0.97 -0.67 8.25 -1.25 -4.80 115.22 124.00 2ddj n HIS 65 Ca 0.21 -1.62 -0.18 0.00 -0.26 0.00 0.00 57.72 55.87 2ddj n HIS 65 Cb 0.27 -2.61 -0.13 0.00 1.12 0.00 0.00 29.99 28.63 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 13.63 0.10 -0.58 4.41 -0.00 -1.26 -4.73 115.22 126.79 2ddj n HIS 66 Ca 0.45 0.07 -0.10 0.00 -0.00 0.00 0.00 57.72 58.14 2ddj n HIS 66 Cb 0.46 -0.67 -0.07 0.00 -0.00 0.00 0.00 29.99 29.72 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ddj n HIS 67 N 4.47 0.36 -1.11 4.41 8.25 -1.26 -4.93 115.22 125.41 2ddj n HIS 67 Ca 0.44 -1.10 -0.33 0.00 -0.26 0.00 0.00 57.72 56.46 2ddj n HIS 67 Cb 0.07 -1.20 0.13 0.00 1.12 0.00 0.00 29.99 30.11 2ddj n HIS 67 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddj s HIS 68 N 2.38 1.80 0.97 4.41 -3.43 -1.26 -4.99 115.29 115.18 2ddj s HIS 68 Ca 0.36 1.68 -0.11 0.00 -0.80 0.00 0.00 55.06 56.18 2ddj s HIS 68 Cb 0.15 -3.48 0.15 0.00 -1.43 0.00 0.00 32.58 27.97 2ddj s HIS 68 CO -0.01 -2.85 0.97 -2.39 -2.00 0.00 0.00 174.74 168.46 2ddj n HIS 69 N -3.32 0.08 0.00 0.38 1.44 -1.26 -5.27 115.22 107.27 2ddj n HIS 69 Ca 0.13 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 2ddj n HIS 69 Cb 0.51 -1.90 0.00 0.00 0.12 0.00 0.00 29.99 28.71 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11