#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddi s ALA 2 N 0.00 -0.73 0.00 0.62 0.00 -1.26 -4.00 121.76 116.39 2ddi s ALA 2 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2ddi s ALA 2 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2ddi s ALA 2 CO 0.00 -0.62 0.00 0.39 0.00 0.00 0.00 175.76 175.53 2ddi n GLU 3 N -0.19 0.00 -1.51 0.00 1.02 -1.18 -4.71 120.64 114.07 2ddi n GLU 3 Ca -0.15 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.69 2ddi n GLU 3 Cb 0.63 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.18 2ddi n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ddi s ALA 4 N -2.00 1.87 0.29 0.62 0.00 -1.26 -4.94 121.76 116.33 2ddi s ALA 4 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2ddi s ALA 4 Cb 0.00 -3.07 0.71 0.00 0.00 0.00 0.00 23.12 20.76 2ddi s ALA 4 CO 0.00 -2.14 1.66 0.93 0.00 0.00 0.00 175.76 176.21 2ddi h GLU 5 N -1.39 0.23 -2.02 0.00 3.07 -2.05 -3.23 114.58 109.20 2ddi h GLU 5 Ca -0.50 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.36 57.99 2ddi h GLU 5 Cb 1.31 -0.05 -0.32 0.00 -0.84 0.00 0.00 28.75 28.85 2ddi h GLU 5 CO 0.61 0.15 -0.67 0.12 -1.40 0.00 0.00 179.01 177.82 2ddi s PHE 6 N -5.93 -0.33 -0.30 4.33 5.36 -1.26 -5.08 117.98 114.78 2ddi s PHE 6 Ca -0.12 -0.64 -0.14 0.00 -0.96 0.00 0.00 56.93 55.07 2ddi s PHE 6 Cb 0.26 -0.43 0.17 0.00 -0.34 0.00 0.00 43.02 42.68 2ddi s PHE 6 CO 0.77 -0.95 1.02 0.99 -1.46 0.00 0.00 175.22 175.59 2ddi s THR 7 N 1.70 -0.42 0.04 0.12 2.01 -1.22 -5.10 115.64 112.78 2ddi s THR 7 Ca 0.15 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2ddi s THR 7 Cb -0.15 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2ddi s THR 7 CO -0.12 0.00 1.21 -0.62 -0.69 0.00 0.00 174.62 174.40 2ddi s ASP 8 N 2.63 7.06 0.62 3.53 -1.08 -1.26 -3.11 116.67 125.05 2ddi s ASP 8 Ca -0.00 2.00 0.22 0.00 -0.52 0.00 0.00 52.55 54.25 2ddi s ASP 8 Cb -0.08 -2.58 0.93 0.00 -1.46 0.00 0.00 42.92 39.74 2ddi s ASP 8 CO -0.15 -0.50 1.43 0.00 0.52 0.00 0.00 175.17 176.47 2ddi h ALA 9 N 6.94 2.46 -1.05 3.66 0.00 -1.84 -2.04 119.26 127.38 2ddi h ALA 9 Ca -0.40 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 54.79 2ddi h ALA 9 Cb 1.21 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2ddi h ALA 9 CO 0.83 -1.25 0.85 0.00 0.00 0.00 0.00 179.25 179.68 2ddi h VAL 11 N 0.00 1.26 -4.24 0.00 2.07 -1.70 -3.41 116.25 110.24 2ddi h VAL 11 Ca 0.50 -2.19 -0.49 0.00 0.82 0.00 0.00 66.70 65.33 2ddi h VAL 11 Cb 2.20 2.24 0.06 0.00 -1.52 0.00 0.00 31.29 34.27 2ddi h VAL 11 CO -0.01 0.59 0.38 -0.22 0.02 0.00 0.00 177.57 178.33 2ddi s LEU 12 N -7.16 3.42 1.02 2.57 2.96 -0.09 -4.84 118.68 116.57 2ddi s LEU 12 Ca 0.00 1.72 -0.12 0.00 -0.22 0.00 0.00 54.13 55.51 2ddi s LEU 12 Cb 0.11 -4.52 0.20 0.00 0.50 0.00 0.00 46.19 42.49 2ddi s LEU 12 CO 0.75 -1.14 1.08 -2.16 -1.32 0.00 0.00 176.35 173.56 2ddi s PRO 13 N -4.35 0.22 -0.28 0.98 0.04 -1.26 -4.87 135.00 125.48 2ddi s PRO 13 Ca 0.61 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2ddi s PRO 13 Cb -0.14 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2ddi s PRO 13 CO 0.41 -2.91 1.53 0.00 0.04 0.00 0.00 177.00 176.07 2ddi s ALA 14 N -2.83 3.21 -0.20 8.56 0.00 -1.26 -4.71 121.76 124.53 2ddi s ALA 14 Ca 0.66 0.25 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 2ddi s ALA 14 Cb -0.20 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2ddi s ALA 14 CO 0.59 -2.06 0.51 0.08 0.00 0.00 0.00 175.76 174.88 2ddi s VAL 15 N 5.24 5.11 0.09 0.00 1.01 -1.26 -4.96 120.40 125.64 2ddi s VAL 15 Ca 0.67 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 2ddi s VAL 15 Cb -0.21 -3.83 -0.26 0.00 0.00 0.00 0.00 36.38 32.09 2ddi s VAL 15 CO 0.29 0.18 1.19 1.56 0.00 0.00 0.00 175.10 178.32 2ddi h GLN 16 N 7.47 0.17 0.00 2.72 4.20 -1.93 -3.42 115.11 124.31 2ddi h GLN 16 Ca -0.34 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.09 2ddi h GLN 16 Cb 1.15 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2ddi h GLN 16 CO 0.74 1.14 0.00 0.41 -0.67 0.00 0.00 178.83 180.44 2ddi n GLY 17 N 1.46 -0.05 0.04 3.46 0.00 -1.26 -0.25 105.19 108.60 2ddi n GLY 17 Ca -0.05 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.27 2ddi n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddi n PRO 18 N 0.03 0.24 -1.26 1.61 -0.04 -1.25 -4.83 135.00 129.49 2ddi n PRO 18 Ca 0.00 -0.08 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 2ddi n PRO 18 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 2ddi n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddi n ARG 20 N -4.22 0.28 -2.99 0.00 1.74 -1.26 -4.92 116.66 105.28 2ddi n ARG 20 Ca 0.15 -0.55 -0.29 0.00 -0.77 0.00 0.00 57.85 56.38 2ddi n ARG 20 Cb 0.54 -0.76 -0.03 0.00 -1.02 0.00 0.00 32.46 31.19 2ddi n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddi s GLY 21 N -0.20 1.88 -0.09 -0.13 0.00 -1.26 -5.09 107.32 102.43 2ddi s GLY 21 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 2ddi s GLY 21 CO 0.00 -0.18 -0.04 -0.98 0.00 0.00 0.00 173.10 171.91 2ddi s TRP 22 N -2.31 1.07 -0.21 1.90 0.23 -1.26 -4.23 118.94 114.13 2ddi s TRP 22 Ca 0.49 -0.44 0.01 0.00 -2.03 0.00 0.00 56.10 54.12 2ddi s TRP 22 Cb -0.10 -1.01 0.05 0.00 0.03 0.00 0.00 33.47 32.43 2ddi s TRP 22 CO 0.32 -0.41 -0.10 -2.00 0.96 0.00 0.00 176.95 175.72 2ddi s GLU 23 N 1.81 2.03 0.03 4.98 2.56 0.34 -4.98 118.70 125.47 2ddi s GLU 23 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 54.97 53.80 2ddi s GLU 23 Cb -0.12 -2.48 -0.07 0.00 2.00 0.00 0.00 34.13 33.45 2ddi s GLU 23 CO -0.06 -0.45 1.50 -1.25 -0.56 0.00 0.00 175.26 174.43 2ddi s PRO 24 N 1.37 4.25 0.40 4.30 0.04 -1.26 -0.85 135.00 143.24 2ddi s PRO 24 Ca -0.02 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2ddi s PRO 24 Cb -0.17 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2ddi s PRO 24 CO -0.08 -0.64 0.16 1.03 0.04 0.00 0.00 177.00 177.51 2ddi s ARG 25 N 2.46 1.90 -0.00 4.56 1.81 -0.45 -4.93 118.95 124.30 2ddi s ARG 25 Ca 0.68 -2.15 0.04 0.00 -1.72 0.00 0.00 55.73 52.58 2ddi s ARG 25 Cb -0.35 -0.44 -0.03 0.00 -0.45 0.00 0.00 34.95 33.68 2ddi s ARG 25 CO 0.29 -0.51 -0.12 -1.58 -0.68 0.00 0.00 175.30 172.70 2ddi s TRP 26 N -3.26 2.75 0.01 -0.53 0.52 -0.69 -0.35 118.94 117.39 2ddi s TRP 26 Ca 0.26 -0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.27 2ddi s TRP 26 Cb 0.02 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2ddi s TRP 26 CO 0.17 0.29 -0.05 0.00 0.02 0.00 0.00 176.95 177.38 2ddi s ALA 27 N -0.91 0.37 0.22 0.98 0.00 -0.17 0.31 121.76 122.56 2ddi s ALA 27 Ca 0.15 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 2ddi s ALA 27 Cb -0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2ddi s ALA 27 CO 0.05 0.02 0.96 -0.47 0.00 0.00 0.00 175.76 176.32 2ddi s TYR 28 N -0.62 3.93 -0.25 0.00 6.14 -1.26 -1.03 117.35 124.26 2ddi s TYR 28 Ca -0.04 1.88 0.00 0.00 0.64 0.00 0.00 57.07 59.55 2ddi s TYR 28 Cb -0.05 -3.02 0.04 0.00 0.42 0.00 0.00 41.96 39.35 2ddi s TYR 28 CO -0.00 0.33 -0.09 -1.12 0.64 0.00 0.00 175.55 175.31 2ddi s SER 29 N -0.98 4.24 0.28 4.32 0.01 0.55 -4.69 113.70 117.43 2ddi s SER 29 Ca 0.42 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.68 2ddi s SER 29 Cb -0.26 -1.61 0.40 0.00 0.21 0.00 0.00 66.02 64.76 2ddi s SER 29 CO 0.32 -0.14 1.71 1.55 0.41 0.00 0.00 173.24 177.09 2ddi h PRO 30 N 7.93 0.45 0.00 12.44 0.13 -1.82 0.14 132.00 151.27 2ddi h PRO 30 Ca -0.30 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ddi h PRO 30 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddi h PRO 30 CO 0.55 0.70 0.00 1.28 -0.23 0.00 0.00 178.00 180.30 2ddi n LEU 31 N -4.10 0.52 -0.12 1.56 4.77 -1.26 -1.17 117.00 117.20 2ddi n LEU 31 Ca -0.01 0.68 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 2ddi n LEU 31 Cb 0.43 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2ddi n LEU 31 CO 0.42 -0.71 0.19 0.18 -1.33 0.00 0.00 177.39 176.14 2ddi n LEU 32 N -2.13 0.93 -3.99 2.23 4.77 -0.92 -5.01 117.00 112.87 2ddi n LEU 32 Ca 0.00 -0.80 -0.32 0.00 -0.03 0.00 0.00 56.01 54.86 2ddi n LEU 32 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2ddi n LEU 32 CO 0.13 0.20 -0.08 1.67 -1.33 0.00 0.00 177.39 177.98 2ddi n GLN 33 N -0.27 -2.19 -3.82 3.23 7.27 0.41 -4.88 117.38 117.13 2ddi n GLN 33 Ca 0.02 0.25 -0.07 0.00 0.07 0.00 0.00 57.00 57.27 2ddi n GLN 33 Cb 0.10 -4.89 -0.02 0.00 2.41 0.00 0.00 30.24 27.84 2ddi n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddi s GLN 34 N -6.66 1.70 -0.12 3.69 0.74 -0.72 -4.52 119.66 113.77 2ddi s GLN 34 Ca 0.63 -0.92 -0.03 0.00 0.05 0.00 0.00 55.36 55.09 2ddi s GLN 34 Cb -0.36 0.59 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 2ddi s GLN 34 CO 0.78 -0.78 0.00 0.00 -0.55 0.00 0.00 175.29 174.75 2ddi s HIS 36 N -0.39 2.03 0.87 0.00 -3.43 -0.20 -4.92 115.29 109.25 2ddi s HIS 36 Ca 0.08 -0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 53.79 2ddi s HIS 36 Cb -0.12 -0.91 0.11 0.00 -1.43 0.00 0.00 32.58 30.23 2ddi s HIS 36 CO 0.02 0.55 1.09 -1.25 -2.00 0.00 0.00 174.74 173.15 2ddi s PRO 37 N -3.49 1.51 0.26 -0.38 0.04 -1.26 -1.00 135.00 130.68 2ddi s PRO 37 Ca 0.26 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 2ddi s PRO 37 Cb -0.03 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.69 2ddi s PRO 37 CO 0.11 -2.06 0.68 -0.59 0.04 0.00 0.00 177.00 175.19 2ddi s PHE 38 N -2.99 -0.18 -0.36 0.56 -0.71 0.52 -4.77 117.98 110.05 2ddi s PHE 38 Ca 0.63 -0.25 -0.15 0.00 -1.04 0.00 0.00 56.93 56.12 2ddi s PHE 38 Cb -0.17 0.65 -0.00 0.00 -1.21 0.00 0.00 43.02 42.28 2ddi s PHE 38 CO 0.56 -1.17 0.34 0.08 -1.34 0.00 0.00 175.22 173.69 2ddi s VAL 39 N -3.91 5.19 0.29 -2.49 1.01 -1.26 -1.34 120.40 117.88 2ddi s VAL 39 Ca 0.11 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2ddi s VAL 39 Cb -0.05 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2ddi s VAL 39 CO 0.05 -0.16 0.42 -0.47 0.00 0.00 0.00 175.10 174.94 2ddi s TYR 40 N 1.93 3.32 -2.87 5.22 5.04 -0.03 -4.64 117.35 125.31 2ddi s TYR 40 Ca 0.10 -0.06 0.23 0.00 -2.44 0.00 0.00 57.07 54.89 2ddi s TYR 40 Cb -0.17 -1.77 0.18 0.00 0.35 0.00 0.00 41.96 40.55 2ddi s TYR 40 CO 0.12 0.23 1.23 0.41 -1.34 0.00 0.00 175.55 176.19 2ddi n GLY 41 N -1.54 0.90 3.15 8.97 0.00 0.66 -0.50 105.19 116.83 2ddi n GLY 41 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2ddi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddi n GLY 42 N 1.29 0.58 0.96 -0.02 0.00 -1.26 -4.29 105.19 102.46 2ddi n GLY 42 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2ddi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddi n GLU 44 N -0.30 0.00 -3.81 0.00 4.71 -1.26 -4.86 120.64 115.12 2ddi n GLU 44 Ca -0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.09 2ddi n GLU 44 Cb 0.17 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 2ddi n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddi s GLY 45 N -0.24 -0.08 0.35 0.62 0.00 -1.26 -3.88 107.32 102.82 2ddi s GLY 45 Ca 0.54 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.23 2ddi s GLY 45 CO 0.38 1.43 0.48 0.70 0.00 0.00 0.00 173.10 176.08 2ddi n ASN 46 N -0.86 0.72 -0.19 1.64 4.13 -1.26 -5.03 115.26 114.41 2ddi n ASN 46 Ca -0.04 -1.59 0.14 0.00 1.68 0.00 0.00 54.58 54.76 2ddi n ASN 46 Cb 0.60 -0.30 0.54 0.00 -1.54 0.00 0.00 39.78 39.08 2ddi n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ddi n GLY 47 N 1.29 -0.75 2.55 7.41 0.00 -1.26 -4.37 105.19 110.06 2ddi n GLY 47 Ca 0.08 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2ddi n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddi n ASN 48 N -0.76 5.99 -3.56 1.61 5.15 -1.26 -4.57 115.26 117.86 2ddi n ASN 48 Ca 0.14 -2.73 -0.19 0.00 -0.60 0.00 0.00 54.58 51.21 2ddi n ASN 48 Cb 0.30 -1.62 -0.14 0.00 -0.53 0.00 0.00 39.78 37.79 2ddi n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddi s ASN 49 N 2.74 1.32 0.29 1.20 3.84 -1.26 -4.38 114.94 118.70 2ddi s ASN 49 Ca 0.57 -0.11 0.10 0.00 0.21 0.00 0.00 52.86 53.63 2ddi s ASN 49 Cb 0.16 0.28 -0.05 0.00 -0.55 0.00 0.00 41.25 41.09 2ddi s ASN 49 CO -0.08 -0.31 -0.04 -0.36 -2.79 0.00 0.00 177.10 173.53 2ddi s PHE 50 N 2.29 2.57 -0.17 0.43 0.40 0.15 -4.89 117.98 118.76 2ddi s PHE 50 Ca 0.05 -0.30 0.22 0.00 -0.60 0.00 0.00 56.93 56.30 2ddi s PHE 50 Cb -0.15 -1.23 -0.10 0.00 0.51 0.00 0.00 43.02 42.05 2ddi s PHE 50 CO -0.10 0.60 0.86 0.72 0.70 0.00 0.00 175.22 178.01 2ddi n HIS 51 N -0.85 0.71 -3.63 0.36 8.25 -1.26 -1.71 115.22 117.09 2ddi n HIS 51 Ca -0.05 0.21 -0.04 0.00 -0.26 0.00 0.00 57.72 57.58 2ddi n HIS 51 Cb 0.60 -0.86 -0.01 0.00 1.12 0.00 0.00 29.99 30.84 2ddi n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddi s SER 52 N -5.19 -0.19 0.15 0.41 1.04 -1.26 -4.89 113.70 103.78 2ddi s SER 52 Ca -0.03 -0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.12 2ddi s SER 52 Cb 0.11 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2ddi s SER 52 CO 0.82 -0.56 1.62 -0.09 0.98 0.00 0.00 173.24 176.01 2ddi h ARG 53 N 2.00 0.85 -0.13 4.02 2.43 -1.92 -2.91 114.38 118.72 2ddi h ARG 53 Ca -0.22 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2ddi h ARG 53 Cb 1.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2ddi h ARG 53 CO 0.27 0.87 -0.22 1.49 -1.51 0.00 0.00 179.97 180.87 2ddi h GLU 54 N 0.72 -0.17 -0.56 0.20 4.22 -1.98 0.68 114.58 117.69 2ddi h GLU 54 Ca 0.15 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.66 2ddi h GLU 54 Cb 0.46 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2ddi h GLU 54 CO 0.02 -0.11 0.37 0.66 -2.18 0.00 0.00 179.01 177.77 2ddi h SER 55 N -0.18 0.46 -0.04 1.04 4.64 -1.93 0.13 113.55 117.66 2ddi h SER 55 Ca 0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.24 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2ddi h SER 55 CO -0.22 0.30 -0.09 0.00 -0.87 0.00 0.00 176.83 175.95 2ddi h GLU 57 N -0.40 0.45 0.00 0.00 5.08 -0.40 0.31 114.58 119.63 2ddi h GLU 57 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2ddi h GLU 57 Cb 0.68 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2ddi h GLU 57 CO 0.02 0.36 -0.39 0.22 -1.00 0.00 0.00 179.01 178.21 2ddi h ASP 58 N 0.46 0.00 0.00 1.42 3.58 -0.60 -3.37 116.42 117.92 2ddi h ASP 58 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ddi h ASP 58 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ddi h ASP 58 CO -0.02 0.34 -0.15 0.00 -2.88 0.00 0.00 179.24 176.53 2ddi h ALA 59 N 1.66 0.00 -1.76 -0.78 0.00 -0.36 -3.42 119.26 114.61 2ddi h ALA 59 Ca -0.01 -0.18 -0.44 0.00 0.00 0.00 0.00 54.91 54.29 2ddi h ALA 59 Cb 1.26 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2ddi h ALA 59 CO 0.04 0.15 -0.32 0.00 0.00 0.00 0.00 179.25 179.12 2ddi s PRO 61 N -4.21 3.26 0.17 0.00 0.04 -1.26 -4.58 135.00 128.41 2ddi s PRO 61 Ca 0.47 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2ddi s PRO 61 Cb -0.10 -4.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.23 2ddi s PRO 61 CO 0.32 -1.95 0.21 0.28 0.04 0.00 0.00 177.00 175.90 2ddi n VAL 62 N 7.39 0.00 -1.82 -0.36 0.31 -1.26 -4.68 118.33 117.91 2ddi n VAL 62 Ca 0.23 -0.96 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 2ddi n VAL 62 Cb 0.47 0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 33.93 2ddi n VAL 62 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2ddi s VAL 63 N -2.63 2.56 -0.12 2.52 1.01 -1.26 -4.94 120.40 117.54 2ddi s VAL 63 Ca 0.16 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2ddi s VAL 63 Cb -0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2ddi s VAL 63 CO 0.11 0.01 0.25 -0.62 0.00 0.00 0.00 175.10 174.85 2ddi s ASP 64 N 1.95 6.47 0.01 3.32 2.15 -1.26 -4.84 116.67 124.46 2ddi s ASP 64 Ca 0.75 0.56 -0.09 0.00 0.43 0.00 0.00 52.55 54.20 2ddi s ASP 64 Cb -0.45 -2.15 -0.05 0.00 -0.30 0.00 0.00 42.92 39.97 2ddi s ASP 64 CO 0.33 0.25 0.89 0.45 -0.17 0.00 0.00 175.17 176.92 2ddi h HIS 65 N 5.75 -0.31 0.00 -5.34 3.86 -1.92 -3.47 115.15 113.73 2ddi h HIS 65 Ca -0.47 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2ddi h HIS 65 Cb 1.19 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2ddi h HIS 65 CO 0.67 -0.19 0.00 0.72 0.86 0.00 0.00 177.93 179.99 2ddi n HIS 66 N -3.11 0.00 -1.11 2.45 8.25 -1.26 -5.10 115.22 115.34 2ddi n HIS 66 Ca -0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.12 2ddi n HIS 66 Cb 0.13 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.13 2ddi n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddi n HIS 67 N 0.00 0.41 -0.87 4.41 8.25 -1.26 -4.78 115.22 121.37 2ddi n HIS 67 Ca 0.00 0.28 -0.11 0.00 -0.26 0.00 0.00 57.72 57.63 2ddi n HIS 67 Cb 0.00 -1.75 -0.06 0.00 1.12 0.00 0.00 29.99 29.30 2ddi n HIS 67 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddi n HIS 68 N 7.76 0.47 -0.66 4.41 1.44 -1.26 -4.88 115.22 122.49 2ddi n HIS 68 Ca 0.49 -1.46 -0.02 0.00 -2.01 0.00 0.00 57.72 54.72 2ddi n HIS 68 Cb 0.02 -1.08 0.02 0.00 0.12 0.00 0.00 29.99 29.07 2ddi n HIS 68 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2ddi n HIS 69 N 1.58 -3.27 -0.46 -1.40 1.44 -1.26 -5.17 115.22 106.68 2ddi n HIS 69 Ca 0.27 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 2ddi n HIS 69 Cb 0.67 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.70 2ddi n HIS 69 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25