#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 1.43 -0.12 4.31 0.00 -0.74 -4.66 121.76 121.97 2ddi s ALA 2 Ca 0.00 -1.59 0.19 0.00 0.00 0.00 0.00 51.96 50.56 2ddi s ALA 2 Cb 0.00 -4.61 -0.21 0.00 0.00 0.00 0.00 23.12 18.29 2ddi s ALA 2 CO 0.00 -5.34 0.56 0.39 0.00 0.00 0.00 175.76 171.36 2ddi n GLU 3 N 8.60 0.65 -3.85 0.00 1.02 -1.26 -4.50 120.64 121.30 2ddi n GLU 3 Ca 0.43 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 57.26 2ddi n GLU 3 Cb 0.46 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 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 -3.06 3.36 0.56 0.62 0.00 -1.26 -5.02 121.76 116.96 2ddi s ALA 4 Ca -0.06 -3.12 0.12 0.00 0.00 0.00 0.00 51.96 48.91 2ddi s ALA 4 Cb 0.10 -2.36 0.42 0.00 0.00 0.00 0.00 23.12 21.28 2ddi s ALA 4 CO 0.84 -1.99 1.03 0.39 0.00 0.00 0.00 175.76 176.03 2ddi n GLU 5 N 3.53 0.02 -1.38 0.00 1.02 -1.26 -4.79 120.64 117.77 2ddi n GLU 5 Ca 0.05 0.88 -0.46 0.00 -0.02 0.00 0.00 57.16 57.61 2ddi n GLU 5 Cb 0.36 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.49 2ddi n GLU 5 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ddi n PHE 6 N -2.67 -0.87 -1.97 -0.32 -0.00 -1.26 -4.80 117.46 105.57 2ddi n PHE 6 Ca 0.11 0.85 -0.31 0.00 -0.00 0.00 0.00 57.45 58.10 2ddi n PHE 6 Cb 1.14 -1.92 -0.04 0.00 -0.00 0.00 0.00 39.48 38.65 2ddi n PHE 6 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2ddi s THR 7 N -1.21 3.35 0.89 -2.13 2.01 -1.26 -4.98 115.64 112.30 2ddi s THR 7 Ca 0.62 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.41 2ddi s THR 7 Cb -0.83 -3.84 0.12 0.00 0.01 0.00 0.00 72.50 67.97 2ddi s THR 7 CO 0.58 -0.80 1.09 -0.62 -0.69 0.00 0.00 174.62 174.19 2ddi s ASP 8 N 8.56 3.54 0.62 3.53 2.15 -1.26 -4.91 116.67 128.90 2ddi s ASP 8 Ca 0.73 1.53 0.26 0.00 0.43 0.00 0.00 52.55 55.50 2ddi s ASP 8 Cb -0.10 -2.21 1.26 0.00 -0.30 0.00 0.00 42.92 41.57 2ddi s ASP 8 CO 0.10 -2.60 1.70 0.00 -0.17 0.00 0.00 175.17 174.19 2ddi h ALA 9 N -1.52 2.15 -1.05 3.66 0.00 -1.93 -2.03 119.26 118.53 2ddi h ALA 9 Ca -0.49 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 54.69 2ddi h ALA 9 Cb 1.28 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2ddi h ALA 9 CO 0.54 -0.88 0.71 0.00 0.00 0.00 0.00 179.25 179.62 2ddi h VAL 11 N 0.22 0.28 -3.24 0.00 2.07 -1.67 -3.39 116.25 110.52 2ddi h VAL 11 Ca 0.55 -1.19 -0.53 0.00 0.82 0.00 0.00 66.70 66.35 2ddi h VAL 11 Cb 1.73 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2ddi h VAL 11 CO -0.16 0.14 0.57 -0.22 0.02 0.00 0.00 177.57 177.92 2ddi s LEU 12 N -6.36 4.39 0.74 2.57 2.96 0.11 -4.76 118.68 118.32 2ddi s LEU 12 Ca 0.04 2.07 -0.16 0.00 -0.22 0.00 0.00 54.13 55.86 2ddi s LEU 12 Cb 0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2ddi s LEU 12 CO 0.66 -0.45 0.39 -2.65 -1.32 0.00 0.00 176.35 172.98 2ddi n PRO 13 N 3.64 0.22 -1.92 0.98 -0.02 -1.26 -4.72 135.00 131.91 2ddi n PRO 13 Ca 0.08 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 2ddi n PRO 13 Cb 0.46 -1.72 0.02 0.00 -0.02 0.00 0.00 33.50 32.24 2ddi n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddi s ALA 14 N -1.96 3.06 0.02 3.55 0.00 -1.26 -4.83 121.76 120.34 2ddi s ALA 14 Ca 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2ddi s ALA 14 Cb -0.34 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2ddi s ALA 14 CO 0.61 -0.81 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 2ddi s VAL 15 N -3.21 0.28 -0.12 0.00 1.01 -1.26 -4.97 120.40 112.13 2ddi s VAL 15 Ca 0.56 -0.60 0.20 0.00 0.00 0.00 0.00 61.98 62.13 2ddi s VAL 15 Cb -0.11 -0.33 -0.23 0.00 0.00 0.00 0.00 36.38 35.71 2ddi s VAL 15 CO 0.53 -0.21 0.52 0.00 0.00 0.00 0.00 175.10 175.94 2ddi n GLN 16 N 2.20 0.65 0.00 2.72 6.02 -1.26 -4.53 117.38 123.18 2ddi n GLN 16 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2ddi n GLN 16 Cb 0.57 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2ddi n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ddi n GLY 17 N 1.41 -1.38 0.00 1.08 0.00 -1.06 -1.23 105.19 104.01 2ddi n GLY 17 Ca -0.12 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.71 0.47 -0.32 1.61 -0.04 -1.26 -4.88 135.00 128.87 2ddi n PRO 18 Ca 0.00 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 2ddi n PRO 18 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 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 -5.62 0.17 -3.73 0.00 1.74 -1.26 -5.03 116.66 102.92 2ddi n ARG 20 Ca 0.10 -0.43 -0.28 0.00 -0.77 0.00 0.00 57.85 56.47 2ddi n ARG 20 Cb 0.59 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.13 1.89 -0.27 -0.13 0.00 -1.26 -5.09 107.32 102.33 2ddi s GLY 21 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2ddi s GLY 21 CO 0.00 -0.76 0.03 -0.98 0.00 0.00 0.00 173.10 171.40 2ddi s TRP 22 N -1.79 2.11 -0.37 1.90 0.23 -1.26 -4.35 118.94 115.41 2ddi s TRP 22 Ca 0.38 -1.79 -0.18 0.00 -2.03 0.00 0.00 56.10 52.48 2ddi s TRP 22 Cb -0.11 -1.74 0.00 0.00 0.03 0.00 0.00 33.47 31.65 2ddi s TRP 22 CO 0.28 -0.81 0.51 -2.00 0.96 0.00 0.00 176.95 175.88 2ddi s GLU 23 N 1.48 3.50 0.06 4.98 2.56 0.61 -4.92 118.70 126.97 2ddi s GLU 23 Ca 0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 54.97 54.41 2ddi s GLU 23 Cb -0.18 -3.85 -0.07 0.00 2.00 0.00 0.00 34.13 32.04 2ddi s GLU 23 CO -0.14 -0.71 1.38 -1.25 -0.56 0.00 0.00 175.26 173.98 2ddi s PRO 24 N 2.38 4.31 0.42 4.30 0.04 -1.26 -1.07 135.00 144.12 2ddi s PRO 24 Ca 0.18 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2ddi s PRO 24 Cb -0.16 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2ddi s PRO 24 CO 0.14 -0.49 0.15 1.03 0.04 0.00 0.00 177.00 177.87 2ddi s ARG 25 N 1.71 1.98 -0.05 4.56 1.81 -0.57 -4.94 118.95 123.46 2ddi s ARG 25 Ca 0.64 -2.22 0.06 0.00 -1.72 0.00 0.00 55.73 52.49 2ddi s ARG 25 Cb -0.34 -0.55 -0.01 0.00 -0.45 0.00 0.00 34.95 33.60 2ddi s ARG 25 CO 0.29 -0.53 -0.25 -1.58 -0.68 0.00 0.00 175.30 172.55 2ddi s TRP 26 N -3.18 2.43 0.02 -0.53 0.52 -0.38 -0.24 118.94 117.58 2ddi s TRP 26 Ca 0.22 -0.65 0.03 0.00 0.02 0.00 0.00 56.10 55.72 2ddi s TRP 26 Cb 0.01 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2ddi s TRP 26 CO 0.15 -0.17 -0.09 0.00 0.02 0.00 0.00 176.95 176.86 2ddi s ALA 27 N -0.26 0.74 0.24 0.98 0.00 -0.48 -0.15 121.76 122.82 2ddi s ALA 27 Ca -0.01 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 2ddi s ALA 27 Cb -0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 2ddi s ALA 27 CO 0.03 0.13 1.02 -0.47 0.00 0.00 0.00 175.76 176.47 2ddi s TYR 28 N -0.59 3.79 -0.25 0.00 5.04 -1.26 -1.23 117.35 122.85 2ddi s TYR 28 Ca -0.00 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 2ddi s TYR 28 Cb -0.06 -3.13 0.04 0.00 0.35 0.00 0.00 41.96 39.17 2ddi s TYR 28 CO 0.00 -0.04 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.97 2ddi s SER 29 N -0.87 4.28 0.31 4.32 0.01 -0.10 -4.78 113.70 116.86 2ddi s SER 29 Ca 0.44 -1.05 0.05 0.00 1.31 0.00 0.00 55.95 56.69 2ddi s SER 29 Cb -0.28 -1.61 0.51 0.00 0.21 0.00 0.00 66.02 64.84 2ddi s SER 29 CO 0.35 -0.15 1.76 1.55 0.41 0.00 0.00 173.24 177.17 2ddi h PRO 30 N 7.93 0.36 0.00 12.44 0.13 -1.82 0.15 132.00 151.18 2ddi h PRO 30 Ca -0.29 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ddi h PRO 30 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ddi h PRO 30 CO 0.54 0.60 0.00 -0.07 -0.23 0.00 0.00 178.00 178.84 2ddi h LEU 31 N 0.32 0.00 -0.79 1.56 3.38 -1.94 -0.96 115.31 116.88 2ddi h LEU 31 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ddi h LEU 31 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ddi h LEU 31 CO 0.05 0.00 -0.18 0.18 0.09 0.00 0.00 178.44 178.57 2ddi n LEU 32 N -2.59 1.23 -1.39 1.67 4.77 -0.84 -4.99 117.00 114.86 2ddi n LEU 32 Ca -0.00 -0.78 -0.13 0.00 -0.03 0.00 0.00 56.01 55.07 2ddi n LEU 32 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2ddi n LEU 32 CO 0.18 0.25 -0.12 1.67 -1.33 0.00 0.00 177.39 178.04 2ddi n GLN 33 N -0.20 -1.29 -3.82 3.23 7.27 0.41 -4.88 117.38 118.09 2ddi n GLN 33 Ca 0.04 0.74 -0.08 0.00 0.07 0.00 0.00 57.00 57.77 2ddi n GLN 33 Cb 0.20 -4.98 -0.03 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 -3.11 1.62 0.41 3.69 0.74 -0.51 -3.35 119.66 119.15 2ddi s GLN 34 Ca 0.00 -0.96 -0.14 0.00 0.05 0.00 0.00 55.36 54.31 2ddi s GLN 34 Cb 0.00 0.57 -0.08 0.00 1.10 0.00 0.00 33.01 34.60 2ddi s GLN 34 CO 0.00 -0.72 0.82 0.00 -0.55 0.00 0.00 175.29 174.84 2ddi s HIS 36 N -2.30 0.57 0.89 0.00 -3.43 -0.36 -4.92 115.29 105.74 2ddi s HIS 36 Ca 0.55 -0.82 -0.10 0.00 -0.80 0.00 0.00 55.06 53.89 2ddi s HIS 36 Cb -0.10 -0.37 0.13 0.00 -1.43 0.00 0.00 32.58 30.81 2ddi s HIS 36 CO 0.26 -0.24 1.13 -2.14 -2.00 0.00 0.00 174.74 171.75 2ddi s PRO 37 N -2.95 1.24 0.19 -0.38 0.02 -1.26 -1.39 135.00 130.47 2ddi s PRO 37 Ca -0.00 1.44 -0.19 0.00 0.02 0.00 0.00 61.00 62.28 2ddi s PRO 37 Cb 0.00 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.80 2ddi s PRO 37 CO -0.05 -2.44 0.55 -0.59 -0.33 0.00 0.00 177.00 174.13 2ddi s PHE 38 N -2.70 -0.22 -0.20 6.54 -0.71 0.67 -4.77 117.98 116.59 2ddi s PHE 38 Ca 0.66 -0.11 -0.23 0.00 -1.04 0.00 0.00 56.93 56.21 2ddi s PHE 38 Cb -0.22 0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 2ddi s PHE 38 CO 0.58 -0.91 0.72 0.08 -1.34 0.00 0.00 175.22 174.34 2ddi s VAL 39 N -3.85 4.95 0.41 -2.49 1.01 -1.26 -1.51 120.40 117.66 2ddi s VAL 39 Ca 0.07 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.46 2ddi s VAL 39 Cb -0.01 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2ddi s VAL 39 CO -0.05 0.06 0.04 -0.47 0.00 0.00 0.00 175.10 174.68 2ddi s TYR 40 N 2.14 2.08 0.00 5.22 5.04 -0.24 -4.45 117.35 127.14 2ddi s TYR 40 Ca 0.32 -0.92 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 2ddi s TYR 40 Cb -0.16 -1.49 0.00 0.00 0.35 0.00 0.00 41.96 40.66 2ddi s TYR 40 CO 0.10 0.14 0.09 0.41 -1.34 0.00 0.00 175.55 174.95 2ddi n GLY 41 N -0.94 0.57 1.63 8.97 0.00 -0.36 -0.28 105.19 114.77 2ddi n GLY 41 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.56 2.86 1.23 -0.02 0.00 -1.26 -4.75 105.19 103.80 2ddi n GLY 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.26 0.00 -3.84 0.00 4.71 -1.26 -4.78 120.64 113.21 2ddi n GLU 44 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.14 2ddi n GLU 44 Cb 0.19 -0.93 0.02 0.00 -1.01 0.00 0.00 31.44 29.72 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 -0.30 0.25 0.70 0.62 0.00 -1.26 -2.57 107.32 104.75 2ddi s GLY 45 Ca 0.57 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2ddi s GLY 45 CO 0.41 0.93 0.97 -1.31 0.00 0.00 0.00 173.10 174.09 2ddi s ASN 46 N -3.22 4.43 0.49 1.64 0.01 -1.26 -4.99 114.94 112.05 2ddi s ASN 46 Ca 0.18 -0.50 0.32 0.00 -0.71 0.00 0.00 52.86 52.15 2ddi s ASN 46 Cb -0.04 0.13 1.42 0.00 0.41 0.00 0.00 41.25 43.17 2ddi s ASN 46 CO 0.09 -1.81 1.96 1.23 -1.51 0.00 0.00 177.10 177.06 2ddi h GLY 47 N -0.42 0.00 -6.41 0.66 0.00 -1.92 -3.33 103.07 91.65 2ddi h GLY 47 Ca -0.34 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.33 2ddi h GLY 47 CO 0.39 0.00 2.55 -2.01 0.00 0.00 0.00 176.54 177.48 2ddi n ASN 48 N -2.85 3.17 -3.61 0.19 2.85 -1.26 -4.77 115.26 108.98 2ddi n ASN 48 Ca 0.00 -2.75 -0.23 0.00 -0.11 0.00 0.00 54.58 51.49 2ddi n ASN 48 Cb 0.24 -1.38 -0.16 0.00 1.24 0.00 0.00 39.78 39.72 2ddi n ASN 48 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2ddi s ASN 49 N 4.35 1.82 0.31 1.20 3.84 -1.25 -4.67 114.94 120.55 2ddi s ASN 49 Ca 0.54 -0.34 0.10 0.00 0.21 0.00 0.00 52.86 53.37 2ddi s ASN 49 Cb 0.13 -0.08 -0.05 0.00 -0.55 0.00 0.00 41.25 40.70 2ddi s ASN 49 CO 0.04 -0.32 -0.04 -0.36 -2.79 0.00 0.00 177.10 173.63 2ddi s PHE 50 N 2.19 2.52 -0.76 0.43 0.08 0.78 -4.95 117.98 118.28 2ddi s PHE 50 Ca 0.03 -0.38 0.14 0.00 0.12 0.00 0.00 56.93 56.85 2ddi s PHE 50 Cb -0.15 -1.33 -0.14 0.00 -0.57 0.00 0.00 43.02 40.83 2ddi s PHE 50 CO -0.08 0.56 0.63 0.72 -0.10 0.00 0.00 175.22 176.95 2ddi n HIS 51 N -0.87 0.00 -3.51 0.36 8.25 -1.26 -1.25 115.22 116.93 2ddi n HIS 51 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 2ddi n HIS 51 Cb 0.61 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.28 -0.45 0.23 0.41 1.04 -1.26 -4.85 113.70 106.54 2ddi s SER 52 Ca 0.06 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.33 2ddi s SER 52 Cb 0.11 0.55 0.22 0.00 0.10 0.00 0.00 66.02 66.99 2ddi s SER 52 CO 0.56 -0.91 1.88 -0.09 0.98 0.00 0.00 173.24 175.66 2ddi h ARG 53 N 2.00 1.25 0.26 4.02 9.65 -1.98 -1.65 114.38 127.92 2ddi h ARG 53 Ca -0.28 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 2ddi h ARG 53 Cb 1.28 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2ddi h ARG 53 CO 0.33 0.88 -0.16 1.49 2.80 0.00 0.00 179.97 185.31 2ddi h GLU 54 N 1.26 -0.38 -0.60 0.20 4.22 -1.99 -1.96 114.58 115.33 2ddi h GLU 54 Ca 0.33 0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.89 2ddi h GLU 54 Cb -0.05 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2ddi h GLU 54 CO -0.06 -0.25 0.40 0.66 -2.18 0.00 0.00 179.01 177.58 2ddi h SER 55 N -0.39 0.39 0.09 1.04 4.64 -1.94 0.45 113.55 117.83 2ddi h SER 55 Ca -0.03 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2ddi h SER 55 Cb 0.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ddi h SER 55 CO 0.03 0.24 -0.04 0.00 -0.87 0.00 0.00 176.83 176.19 2ddi h GLU 57 N -0.66 0.45 0.00 0.00 5.08 -0.82 0.34 114.58 118.97 2ddi h GLU 57 Ca -0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2ddi h GLU 57 Cb 0.53 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ddi h GLU 57 CO 0.02 0.49 -0.09 0.22 -1.00 0.00 0.00 179.01 178.64 2ddi h ASP 58 N 0.43 0.00 0.17 1.42 3.58 -0.80 -2.58 116.42 118.65 2ddi h ASP 58 Ca 0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2ddi h ASP 58 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2ddi h ASP 58 CO 0.01 0.09 -0.08 0.00 -2.88 0.00 0.00 179.24 176.38 2ddi h ALA 59 N 1.91 -0.23 -3.16 -0.78 0.00 0.20 0.32 119.26 117.51 2ddi h ALA 59 Ca -0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.40 2ddi h ALA 59 Cb 0.37 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.85 2ddi h ALA 59 CO 0.01 -0.22 -0.74 0.00 0.00 0.00 0.00 179.25 178.30 2ddi n PRO 61 N 5.29 1.77 0.00 0.00 -0.04 -0.99 -4.08 135.00 136.94 2ddi n PRO 61 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2ddi n PRO 61 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2ddi n PRO 61 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ddi n VAL 62 N -0.60 0.00 -1.51 0.52 0.31 -1.21 -4.63 118.33 111.20 2ddi n VAL 62 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.86 2ddi n VAL 62 Cb 0.00 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 2ddi n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddi n VAL 63 N 0.00 1.69 -0.99 2.52 0.31 -1.26 -4.66 118.33 115.95 2ddi n VAL 63 Ca 0.00 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.48 2ddi n VAL 63 Cb 0.00 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 2ddi n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddi n ASP 64 N 1.67 0.63 -0.05 4.52 2.03 -1.26 -4.95 116.55 119.14 2ddi n ASP 64 Ca 0.14 0.60 -0.04 0.00 0.52 0.00 0.00 54.79 56.01 2ddi n ASP 64 Cb 0.27 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 2ddi n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddi n HIS 65 N 4.20 0.28 -1.51 -0.67 8.25 -1.26 -4.57 115.22 119.93 2ddi n HIS 65 Ca 0.31 0.12 -0.38 0.00 -0.26 0.00 0.00 57.72 57.51 2ddi n HIS 65 Cb -0.03 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.59 2ddi n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddi n HIS 66 N -3.70 2.28 -1.03 4.41 8.25 -1.26 -4.86 115.22 119.30 2ddi n HIS 66 Ca -0.07 -1.75 -0.16 0.00 -0.26 0.00 0.00 57.72 55.48 2ddi n HIS 66 Cb 0.24 -2.05 -0.15 0.00 1.12 0.00 0.00 29.99 29.15 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 9.76 0.03 0.13 4.41 -0.00 -1.26 -4.78 115.22 123.52 2ddi n HIS 67 Ca 0.48 0.02 0.07 0.00 -0.00 0.00 0.00 57.72 58.29 2ddi n HIS 67 Cb 0.43 -0.46 0.04 0.00 -0.00 0.00 0.00 29.99 30.00 2ddi n HIS 67 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2ddi h HIS 68 N 7.61 0.00 -3.54 4.41 3.86 -1.92 -3.48 115.15 122.10 2ddi h HIS 68 Ca 0.02 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.01 2ddi h HIS 68 Cb 0.79 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 2ddi h HIS 68 CO 0.94 0.27 -0.19 0.72 0.86 0.00 0.00 177.93 180.53 2ddi n HIS 69 N -3.01 -0.08 0.00 2.45 8.25 -1.26 -5.23 115.22 116.34 2ddi n HIS 69 Ca -0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 2ddi n HIS 69 Cb 0.66 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.81 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56