#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 -0.47 0.06 0.62 0.00 -1.26 -3.02 120.51 116.43 2ddj n ALA 2 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2ddj n ALA 2 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2ddj n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddj n GLU 3 N -0.30 0.00 0.00 0.00 1.02 -1.26 -5.05 120.64 115.06 2ddj n GLU 3 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2ddj n GLU 3 Cb 0.31 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ddj n ALA 4 N -3.03 0.00 0.01 0.62 0.00 -1.26 -4.64 120.51 112.21 2ddj n ALA 4 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2ddj n ALA 4 Cb 0.06 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 0.07 -5.65 0.00 3.07 -1.94 -3.39 114.58 106.74 2ddj h GLU 5 Ca 0.00 -0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.56 2ddj h GLU 5 Cb 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2ddj h GLU 5 CO 0.00 0.04 0.85 0.12 -1.40 0.00 0.00 179.01 178.62 2ddj s PHE 6 N -5.08 1.44 -0.71 4.33 5.36 -1.26 -4.90 117.98 117.15 2ddj s PHE 6 Ca -0.05 1.23 -0.14 0.00 -0.96 0.00 0.00 56.93 57.00 2ddj s PHE 6 Cb 0.19 -3.79 0.18 0.00 -0.34 0.00 0.00 43.02 39.27 2ddj s PHE 6 CO 0.73 -1.97 0.65 0.99 -1.46 0.00 0.00 175.22 174.16 2ddj s THR 7 N 11.61 5.39 0.17 0.12 2.01 -1.26 -4.03 115.64 129.66 2ddj s THR 7 Ca 0.81 -2.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.39 2ddj s THR 7 Cb -0.12 -4.38 -0.07 0.00 0.01 0.00 0.00 72.50 67.94 2ddj s THR 7 CO 0.12 -0.96 1.01 -0.62 -0.69 0.00 0.00 174.62 173.47 2ddj s ASP 8 N 2.65 7.45 0.37 3.53 -1.08 -1.17 -4.90 116.67 123.53 2ddj s ASP 8 Ca 0.12 1.95 0.05 0.00 -0.52 0.00 0.00 52.55 54.16 2ddj s ASP 8 Cb -0.18 -2.60 0.74 0.00 -1.46 0.00 0.00 42.92 39.42 2ddj s ASP 8 CO -0.04 -0.06 2.01 0.00 0.52 0.00 0.00 175.17 177.59 2ddj h ALA 9 N 4.96 1.66 -0.11 3.66 0.00 -1.91 -0.92 119.26 126.60 2ddj h ALA 9 Ca -0.44 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2ddj h ALA 9 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ddj h ALA 9 CO 0.71 0.28 0.08 0.00 0.00 0.00 0.00 179.25 180.32 2ddj n VAL 11 N -4.48 0.00 -4.21 0.00 0.31 -0.41 -4.46 118.33 105.08 2ddj n VAL 11 Ca -0.00 -0.26 -0.33 0.00 -0.01 0.00 0.00 64.34 63.73 2ddj n VAL 11 Cb 0.20 1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 34.05 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 -2.36 3.69 0.98 7.52 2.96 -0.67 -0.35 118.68 130.46 2ddj s LEU 12 Ca 0.23 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 54.08 2ddj s LEU 12 Cb 0.19 -2.09 0.18 0.00 0.50 0.00 0.00 46.19 44.97 2ddj s LEU 12 CO 0.49 0.29 1.18 -2.16 -1.32 0.00 0.00 176.35 174.83 2ddj s PRO 13 N -1.54 0.54 0.09 0.98 0.04 -1.26 -4.76 135.00 129.09 2ddj s PRO 13 Ca 0.20 0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.32 2ddj s PRO 13 Cb -0.12 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2ddj s PRO 13 CO 0.11 -2.56 0.08 0.00 0.04 0.00 0.00 177.00 174.67 2ddj s ALA 14 N -3.37 3.55 0.00 8.56 0.00 -1.26 -4.44 121.76 124.79 2ddj s ALA 14 Ca 0.68 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 2ddj s ALA 14 Cb -0.11 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2ddj s ALA 14 CO 0.54 0.72 0.05 0.08 0.00 0.00 0.00 175.76 177.14 2ddj s VAL 15 N -1.43 0.07 -0.01 0.00 1.01 -1.26 -4.98 120.40 113.80 2ddj s VAL 15 Ca 0.29 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2ddj s VAL 15 Cb -0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 2ddj s VAL 15 CO 0.22 -0.32 0.71 1.56 0.00 0.00 0.00 175.10 177.26 2ddj h GLN 16 N 4.91 -0.40 0.00 2.72 7.50 -1.88 -3.43 115.11 124.54 2ddj h GLN 16 Ca -0.30 0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.88 2ddj h GLN 16 Cb 1.20 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.82 2ddj h GLN 16 CO 0.42 -0.27 0.00 0.41 -1.50 0.00 0.00 178.83 177.90 2ddj n GLY 17 N 0.13 1.69 0.00 3.46 0.00 -1.24 -0.82 105.19 108.41 2ddj n GLY 17 Ca -0.05 -2.12 0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.15 0.35 -0.80 1.61 -0.04 -1.26 -4.85 135.00 130.15 2ddj n PRO 18 Ca 0.00 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 2ddj n PRO 18 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 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 -5.13 0.17 -3.74 0.00 3.00 -1.26 -5.04 116.66 104.65 2ddj n ARG 20 Ca 0.13 -0.41 -0.28 0.00 -0.01 0.00 0.00 57.85 57.28 2ddj n ARG 20 Cb 0.60 -0.66 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 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 -0.12 1.87 -0.27 -0.13 0.00 -1.26 -5.09 107.32 102.32 2ddj s GLY 21 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2ddj s GLY 21 CO 0.00 -0.78 0.02 -0.98 0.00 0.00 0.00 173.10 171.36 2ddj s TRP 22 N -1.79 2.19 -0.37 1.90 0.23 -1.26 -4.39 118.94 115.44 2ddj s TRP 22 Ca 0.38 -1.79 -0.18 0.00 -2.03 0.00 0.00 56.10 52.47 2ddj s TRP 22 Cb -0.11 -1.73 0.00 0.00 0.03 0.00 0.00 33.47 31.66 2ddj s TRP 22 CO 0.28 -0.80 0.51 -2.00 0.96 0.00 0.00 176.95 175.90 2ddj s GLU 23 N 1.46 3.50 0.10 4.98 2.56 0.50 -4.93 118.70 126.87 2ddj s GLU 23 Ca 0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 54.97 54.40 2ddj s GLU 23 Cb -0.18 -3.85 -0.07 0.00 2.00 0.00 0.00 34.13 32.03 2ddj s GLU 23 CO -0.12 -0.71 1.38 -1.25 -0.56 0.00 0.00 175.26 174.00 2ddj s PRO 24 N 2.39 4.32 0.42 4.30 0.04 -1.26 -1.02 135.00 144.19 2ddj s PRO 24 Ca 0.18 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2ddj s PRO 24 Cb -0.16 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2ddj s PRO 24 CO 0.14 -0.44 0.16 0.54 0.04 0.00 0.00 177.00 177.44 2ddj n ARG 25 N 4.15 0.55 -5.25 4.56 5.12 -0.50 -4.93 116.66 120.38 2ddj n ARG 25 Ca 0.12 -3.56 -0.31 0.00 -1.93 0.00 0.00 57.85 52.16 2ddj n ARG 25 Cb 0.43 2.01 -0.16 0.00 -1.16 0.00 0.00 32.46 33.58 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 -3.16 2.39 0.02 -1.55 0.52 -0.08 -0.06 118.94 117.02 2ddj s TRP 26 Ca 0.23 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.93 2ddj s TRP 26 Cb 0.01 -1.53 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 2ddj s TRP 26 CO 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 176.95 177.09 2ddj s ALA 27 N -0.59 0.11 0.13 0.98 0.00 -0.46 -0.21 121.76 121.72 2ddj s ALA 27 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2ddj s ALA 27 Cb -0.10 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 2ddj s ALA 27 CO -0.00 -0.11 0.92 -0.47 0.00 0.00 0.00 175.76 176.09 2ddj s TYR 28 N -1.09 3.85 -0.25 0.00 5.04 -1.26 -1.56 117.35 122.07 2ddj s TYR 28 Ca -0.12 1.77 -0.00 0.00 -2.44 0.00 0.00 57.07 56.29 2ddj s TYR 28 Cb -0.07 -2.99 0.04 0.00 0.35 0.00 0.00 41.96 39.29 2ddj s TYR 28 CO -0.01 0.29 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.30 2ddj s SER 29 N -0.35 4.31 0.33 4.32 0.01 -0.09 -4.89 113.70 117.34 2ddj s SER 29 Ca 0.44 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.73 2ddj s SER 29 Cb -0.24 -1.62 0.56 0.00 0.21 0.00 0.00 66.02 64.94 2ddj s SER 29 CO 0.29 -0.15 1.75 1.55 0.41 0.00 0.00 173.24 177.09 2ddj h PRO 30 N 7.93 0.12 0.00 12.44 0.13 -1.83 0.15 132.00 150.95 2ddj h PRO 30 Ca -0.28 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2ddj h PRO 30 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.51 0.00 -0.07 -0.23 0.00 0.00 178.00 178.75 2ddj h LEU 31 N 0.11 0.00 -0.79 1.56 4.07 -1.94 -0.87 115.31 117.46 2ddj h LEU 31 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ddj h LEU 31 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2ddj h LEU 31 CO 0.06 0.00 -0.11 0.18 -1.08 0.00 0.00 178.44 177.48 2ddj n LEU 32 N -2.49 1.10 -1.69 1.67 4.77 -0.80 -5.00 117.00 114.56 2ddj n LEU 32 Ca -0.00 -0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 55.04 2ddj n LEU 32 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2ddj n LEU 32 CO 0.16 0.23 -0.13 1.67 -1.33 0.00 0.00 177.39 177.99 2ddj n GLN 33 N -0.19 -1.56 -3.88 3.23 7.27 0.41 -4.89 117.38 117.77 2ddj n GLN 33 Ca 0.03 0.70 -0.07 0.00 0.07 0.00 0.00 57.00 57.73 2ddj n GLN 33 Cb 0.15 -5.05 -0.03 0.00 2.41 0.00 0.00 30.24 27.73 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 -3.66 1.74 0.30 3.69 0.74 -0.55 -4.54 119.66 117.37 2ddj s GLN 34 Ca 0.00 -1.03 -0.10 0.00 0.05 0.00 0.00 55.36 54.28 2ddj s GLN 34 Cb 0.00 0.58 -0.07 0.00 1.10 0.00 0.00 33.01 34.62 2ddj s GLN 34 CO 0.00 -0.78 0.64 0.00 -0.55 0.00 0.00 175.29 174.59 2ddj s HIS 36 N -2.01 0.15 0.88 0.00 -3.43 -0.60 -4.95 115.29 105.33 2ddj s HIS 36 Ca 0.49 -0.48 -0.10 0.00 -0.80 0.00 0.00 55.06 54.17 2ddj s HIS 36 Cb -0.11 -0.10 0.12 0.00 -1.43 0.00 0.00 32.58 31.07 2ddj s HIS 36 CO 0.24 -0.44 1.13 -2.14 -2.00 0.00 0.00 174.74 171.54 2ddj s PRO 37 N -3.00 1.34 0.25 -0.38 0.02 -1.26 -1.36 135.00 130.62 2ddj s PRO 37 Ca -0.02 1.46 -0.19 0.00 0.02 0.00 0.00 61.00 62.27 2ddj s PRO 37 Cb 0.01 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.78 2ddj s PRO 37 CO -0.06 -2.38 0.65 -0.59 -0.33 0.00 0.00 177.00 174.29 2ddj s PHE 38 N -2.70 -0.12 -0.27 6.54 -0.71 0.92 -4.78 117.98 116.85 2ddj s PHE 38 Ca 0.65 -0.29 -0.19 0.00 -1.04 0.00 0.00 56.93 56.06 2ddj s PHE 38 Cb -0.21 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2ddj s PHE 38 CO 0.57 -1.13 0.58 0.08 -1.34 0.00 0.00 175.22 173.98 2ddj s VAL 39 N -3.92 5.01 0.42 -2.49 1.01 -1.26 -1.40 120.40 117.77 2ddj s VAL 39 Ca 0.12 0.94 0.06 0.00 0.00 0.00 0.00 61.98 63.10 2ddj s VAL 39 Cb -0.04 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 2ddj s VAL 39 CO 0.05 0.00 0.01 -0.47 0.00 0.00 0.00 175.10 174.69 2ddj s TYR 40 N 2.45 2.43 -0.05 5.22 5.04 -0.19 -4.05 117.35 128.19 2ddj s TYR 40 Ca 0.24 -0.71 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 2ddj s TYR 40 Cb -0.15 -1.76 -0.01 0.00 0.35 0.00 0.00 41.96 40.38 2ddj s TYR 40 CO 0.10 0.41 0.05 0.41 -1.34 0.00 0.00 175.55 175.18 2ddj n GLY 41 N -1.02 0.78 1.52 8.97 0.00 0.00 -0.37 105.19 115.07 2ddj n GLY 41 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.18 2.79 1.27 -0.02 0.00 -1.26 -4.69 105.19 104.46 2ddj n GLY 42 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.12 0.00 -2.82 0.00 4.71 -1.26 -4.87 120.64 114.27 2ddj n GLU 44 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.18 2ddj n GLU 44 Cb 0.20 -1.11 0.01 0.00 -1.01 0.00 0.00 31.44 29.53 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 1.44 0.95 3.99 0.62 0.00 -1.26 -3.66 105.19 107.28 2ddj n GLY 45 Ca 0.16 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 2ddj n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ddj s ASN 46 N -2.40 4.69 0.28 1.61 -0.87 -1.26 -5.00 114.94 112.00 2ddj s ASN 46 Ca 0.13 -0.34 0.26 0.00 -1.57 0.00 0.00 52.86 51.33 2ddj s ASN 46 Cb -0.02 -0.20 0.89 0.00 -0.02 0.00 0.00 41.25 41.90 2ddj s ASN 46 CO 0.04 -1.60 1.76 1.23 -2.57 0.00 0.00 177.10 175.95 2ddj h GLY 47 N -0.27 0.00 -6.14 0.66 0.00 -1.96 -3.34 103.07 92.02 2ddj h GLY 47 Ca -0.37 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.25 2ddj h GLY 47 CO 0.43 0.00 3.00 -2.01 0.00 0.00 0.00 176.54 177.96 2ddj n ASN 48 N -2.41 4.02 -3.64 0.19 5.15 -1.26 -4.80 115.26 112.52 2ddj n ASN 48 Ca 0.04 -2.87 -0.24 0.00 -0.60 0.00 0.00 54.58 50.91 2ddj n ASN 48 Cb 0.35 -1.65 -0.17 0.00 -0.53 0.00 0.00 39.78 37.78 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 3.08 2.04 0.24 1.20 3.84 -1.25 -4.63 114.94 119.46 2ddj s ASN 49 Ca 0.47 -0.43 0.12 0.00 0.21 0.00 0.00 52.86 53.22 2ddj s ASN 49 Cb 0.13 -0.24 -0.05 0.00 -0.55 0.00 0.00 41.25 40.54 2ddj s ASN 49 CO -0.07 -0.32 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.34 2ddj s PHE 50 N 2.13 2.30 -1.42 0.43 0.08 0.71 -4.94 117.98 117.27 2ddj s PHE 50 Ca 0.03 -0.34 0.19 0.00 0.12 0.00 0.00 56.93 56.92 2ddj s PHE 50 Cb -0.15 -1.06 -0.08 0.00 -0.57 0.00 0.00 43.02 41.16 2ddj s PHE 50 CO -0.07 0.62 0.89 0.72 -0.10 0.00 0.00 175.22 177.28 2ddj n HIS 51 N -0.23 0.00 -3.71 0.36 8.25 -1.26 -0.90 115.22 117.73 2ddj n HIS 51 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 2ddj n HIS 51 Cb 0.58 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 -2.37 -0.35 0.09 0.41 1.04 -1.26 -4.89 113.70 106.37 2ddj s SER 52 Ca 0.12 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 2ddj s SER 52 Cb 0.15 0.66 -0.10 0.00 0.10 0.00 0.00 66.02 66.83 2ddj s SER 52 CO 0.58 -1.18 1.63 -0.09 0.98 0.00 0.00 173.24 175.16 2ddj h ARG 53 N 2.00 0.25 -0.17 4.02 9.65 -1.99 -2.93 114.38 125.21 2ddj h ARG 53 Ca -0.24 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.62 2ddj h ARG 53 Cb 1.27 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 2ddj h ARG 53 CO 0.28 0.33 -0.18 1.49 2.80 0.00 0.00 179.97 184.68 2ddj h GLU 54 N 0.11 -0.10 -0.46 0.20 4.81 -1.98 0.10 114.58 117.27 2ddj h GLU 54 Ca 0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2ddj h GLU 54 Cb 0.17 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2ddj h GLU 54 CO -0.00 -0.07 0.30 0.66 -0.73 0.00 0.00 179.01 179.17 2ddj h SER 55 N -0.10 0.52 -0.18 1.04 4.64 -1.96 -1.00 113.55 116.51 2ddj h SER 55 Ca 0.03 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2ddj h SER 55 Cb 0.18 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2ddj h SER 55 CO -0.22 0.38 -0.11 0.00 -0.87 0.00 0.00 176.83 176.01 2ddj h GLU 57 N 0.07 0.49 -0.56 0.00 4.39 0.06 -0.12 114.58 118.91 2ddj h GLU 57 Ca 0.04 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2ddj h GLU 57 Cb 0.61 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2ddj h GLU 57 CO 0.03 0.40 -0.00 0.22 -1.16 0.00 0.00 179.01 178.50 2ddj h ASP 58 N 0.50 0.94 -0.70 1.42 3.58 -1.04 -2.43 116.42 118.69 2ddj h ASP 58 Ca 0.13 -0.26 0.11 0.00 0.42 0.00 0.00 57.03 57.43 2ddj h ASP 58 Cb 0.08 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 40.80 2ddj h ASP 58 CO -0.02 1.00 0.30 0.00 -2.88 0.00 0.00 179.24 177.64 2ddj h ALA 59 N 1.09 0.95 -1.02 -0.78 0.00 -0.02 -3.44 119.26 116.05 2ddj h ALA 59 Ca 0.16 0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.46 2ddj h ALA 59 Cb 0.53 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.11 2ddj h ALA 59 CO 0.03 -0.15 0.99 0.00 0.00 0.00 0.00 179.25 180.12 2ddj s PRO 61 N -1.65 3.96 0.28 0.00 0.04 -1.15 -3.78 135.00 132.71 2ddj s PRO 61 Ca 0.11 0.24 0.06 0.00 0.04 0.00 0.00 61.00 61.45 2ddj s PRO 61 Cb -0.01 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 2ddj s PRO 61 CO -0.05 -0.44 0.22 0.28 0.04 0.00 0.00 177.00 177.05 2ddj n VAL 62 N 5.25 0.00 -1.10 -0.36 0.31 -1.26 -4.93 118.33 116.23 2ddj n VAL 62 Ca -0.04 -2.00 -0.34 0.00 -0.01 0.00 0.00 64.34 61.95 2ddj n VAL 62 Cb 0.49 0.97 0.10 0.00 -0.91 0.00 0.00 33.84 34.50 2ddj n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddj n VAL 63 N -0.55 1.49 -1.18 2.52 0.31 -1.26 -4.72 118.33 114.94 2ddj n VAL 63 Ca 0.05 -0.29 -0.52 0.00 -0.01 0.00 0.00 64.34 63.57 2ddj n VAL 63 Cb 0.50 -0.87 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddj n ASP 64 N -1.55 0.75 -4.51 4.52 2.03 -1.26 -4.85 116.55 111.68 2ddj n ASP 64 Ca 0.10 0.70 -0.42 0.00 0.52 0.00 0.00 54.79 55.69 2ddj n ASP 64 Cb 0.51 -0.74 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 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 4.19 2.61 -0.15 -0.67 3.76 -1.26 -4.79 115.29 118.98 2ddj s HIS 65 Ca 0.96 -0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.71 2ddj s HIS 65 Cb -1.25 -4.33 -0.05 0.00 1.11 0.00 0.00 32.58 28.06 2ddj s HIS 65 CO 0.59 -1.65 0.80 0.72 -0.85 0.00 0.00 174.74 174.36 2ddj n HIS 66 N 8.10 0.00 -2.09 1.40 -0.00 -1.26 -4.76 115.22 116.61 2ddj n HIS 66 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 2ddj n HIS 66 Cb 0.47 -0.31 -0.06 0.00 -0.00 0.00 0.00 29.99 30.09 2ddj n HIS 66 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ddj s HIS 67 N 0.00 1.95 -0.72 4.41 5.04 -1.26 -4.90 115.29 119.80 2ddj s HIS 67 Ca 0.20 0.42 -0.26 0.00 -1.54 0.00 0.00 55.06 53.88 2ddj s HIS 67 Cb -0.13 -4.05 -0.09 0.00 0.04 0.00 0.00 32.58 28.35 2ddj s HIS 67 CO 0.09 -1.39 2.26 -1.58 -2.34 0.00 0.00 174.74 171.77 2ddj s HIS 68 N 10.44 1.31 0.93 3.88 2.46 -1.26 -4.95 115.29 128.10 2ddj s HIS 68 Ca 0.68 1.49 -0.10 0.00 0.47 0.00 0.00 55.06 57.60 2ddj s HIS 68 Cb -0.02 -3.66 0.15 0.00 -0.13 0.00 0.00 32.58 28.91 2ddj s HIS 68 CO 0.09 -1.91 1.10 1.58 -2.47 0.00 0.00 174.74 173.12 2ddj n HIS 69 N 16.45 0.62 0.56 3.88 -0.00 -1.26 -3.98 115.22 131.49 2ddj n HIS 69 Ca 0.40 0.36 0.07 0.00 0.46 0.00 0.00 57.72 59.01 2ddj n HIS 69 Cb 0.48 -1.97 0.06 0.00 -0.12 0.00 0.00 29.99 28.43 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38