#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 3.04 0.00 0.62 0.00 -1.26 -0.54 121.76 123.61 2ddi s ALA 2 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2ddi s ALA 2 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2ddi s ALA 2 CO 0.00 -0.73 0.00 0.39 0.00 0.00 0.00 175.76 175.42 2ddi n GLU 3 N -0.33 2.05 -4.35 0.00 1.02 -1.22 -4.80 120.64 113.01 2ddi n GLU 3 Ca 0.06 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 2ddi n GLU 3 Cb 0.47 -0.75 -0.09 0.00 -0.02 0.00 0.00 31.44 31.05 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 -1.49 3.30 0.25 0.62 0.00 -1.24 -5.05 121.76 118.15 2ddi s ALA 4 Ca 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 51.96 49.84 2ddi s ALA 4 Cb 0.00 -0.24 0.50 0.00 0.00 0.00 0.00 23.12 23.38 2ddi s ALA 4 CO 0.00 -0.04 1.72 0.93 0.00 0.00 0.00 175.76 178.37 2ddi h GLU 5 N 1.70 0.41 -2.28 0.00 5.08 -2.04 -3.28 114.58 114.17 2ddi h GLU 5 Ca -0.43 -0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.45 2ddi h GLU 5 Cb 1.25 -0.09 -0.35 0.00 0.50 0.00 0.00 28.75 30.06 2ddi h GLU 5 CO 0.71 0.27 -0.74 0.12 -1.00 0.00 0.00 179.01 178.37 2ddi s PHE 6 N -6.00 0.08 0.00 4.33 5.36 -1.26 -5.07 117.98 115.42 2ddi s PHE 6 Ca -0.12 -1.00 0.00 0.00 -0.96 0.00 0.00 56.93 54.85 2ddi s PHE 6 Cb 0.21 -0.63 0.00 0.00 -0.34 0.00 0.00 43.02 42.26 2ddi s PHE 6 CO 0.77 -0.90 0.00 2.41 -1.46 0.00 0.00 175.22 176.03 2ddi n THR 7 N 4.45 0.00 -3.83 0.12 -1.04 -1.24 -5.13 114.28 107.61 2ddi n THR 7 Ca 0.08 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 2ddi n THR 7 Cb 0.42 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.88 2ddi n THR 7 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ddi s ASP 8 N 0.00 6.43 0.62 8.00 -1.08 -1.26 -3.40 116.67 125.98 2ddi s ASP 8 Ca 0.00 0.44 0.24 0.00 -0.52 0.00 0.00 52.55 52.71 2ddi s ASP 8 Cb 0.00 -2.04 1.09 0.00 -1.46 0.00 0.00 42.92 40.51 2ddi s ASP 8 CO 0.00 0.21 1.57 0.00 0.52 0.00 0.00 175.17 177.47 2ddi h ALA 9 N 3.61 2.25 -0.71 3.66 0.00 -1.11 -2.04 119.26 124.91 2ddi h ALA 9 Ca -0.48 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.62 2ddi h ALA 9 Cb 1.18 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2ddi h ALA 9 CO 0.70 -1.02 0.81 0.00 0.00 0.00 0.00 179.25 179.74 2ddi h VAL 11 N 0.00 1.48 -4.15 0.00 2.07 -1.69 -3.38 116.25 110.57 2ddi h VAL 11 Ca 0.34 -2.57 -0.50 0.00 0.82 0.00 0.00 66.70 64.79 2ddi h VAL 11 Cb 1.96 2.44 0.07 0.00 -1.52 0.00 0.00 31.29 34.24 2ddi h VAL 11 CO -0.00 0.75 0.39 -0.22 0.02 0.00 0.00 177.57 178.51 2ddi s LEU 12 N -7.48 3.58 1.11 2.57 2.96 0.64 -4.88 118.68 117.18 2ddi s LEU 12 Ca -0.03 1.98 -0.15 0.00 -0.22 0.00 0.00 54.13 55.70 2ddi s LEU 12 Cb 0.10 -4.55 0.24 0.00 0.50 0.00 0.00 46.19 42.48 2ddi s LEU 12 CO 0.83 -1.26 1.09 -2.16 -1.32 0.00 0.00 176.35 173.53 2ddi s PRO 13 N -3.75 -0.44 -0.26 0.98 0.04 -1.26 -4.90 135.00 125.40 2ddi s PRO 13 Ca 0.67 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 2ddi s PRO 13 Cb -0.19 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 2ddi s PRO 13 CO 0.33 -3.26 1.61 0.00 0.04 0.00 0.00 177.00 175.71 2ddi s ALA 14 N -2.93 3.19 -0.19 8.56 0.00 -1.26 -4.75 121.76 124.37 2ddi s ALA 14 Ca 0.68 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 2ddi s ALA 14 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 2ddi s ALA 14 CO 0.57 -2.10 0.60 0.08 0.00 0.00 0.00 175.76 174.92 2ddi s VAL 15 N 5.46 5.04 0.10 0.00 1.01 -1.26 -4.95 120.40 125.80 2ddi s VAL 15 Ca 0.71 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2ddi s VAL 15 Cb -0.23 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 2ddi s VAL 15 CO 0.30 0.13 1.21 1.56 0.00 0.00 0.00 175.10 178.31 2ddi h GLN 16 N 7.44 0.20 0.00 2.72 4.20 -1.93 -3.42 115.11 124.31 2ddi h GLN 16 Ca -0.32 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.08 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 0.77 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 180.46 2ddi n GLY 17 N 1.38 -0.07 0.02 3.46 0.00 -1.26 -0.28 105.19 108.44 2ddi n GLY 17 Ca -0.06 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 0.01 0.17 -1.56 1.61 -0.04 -1.25 -4.83 135.00 129.11 2ddi n PRO 18 Ca 0.00 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 2ddi n PRO 18 Cb 0.00 -1.50 0.21 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 -4.08 0.25 -2.76 0.00 1.74 -1.26 -4.89 116.66 105.67 2ddi n ARG 20 Ca 0.16 -0.53 -0.29 0.00 -0.77 0.00 0.00 57.85 56.42 2ddi n ARG 20 Cb 0.56 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.19 1.74 -0.12 -0.13 0.00 -1.26 -5.08 107.32 102.28 2ddi s GLY 21 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 2ddi s GLY 21 CO 0.00 -0.17 -0.04 -0.98 0.00 0.00 0.00 173.10 171.91 2ddi s TRP 22 N -2.54 1.28 -0.21 1.90 0.23 -1.26 -4.20 118.94 114.15 2ddi s TRP 22 Ca 0.49 -0.69 0.01 0.00 -2.03 0.00 0.00 56.10 53.89 2ddi s TRP 22 Cb -0.10 -1.12 0.04 0.00 0.03 0.00 0.00 33.47 32.32 2ddi s TRP 22 CO 0.38 -0.50 -0.11 -2.00 0.96 0.00 0.00 176.95 175.68 2ddi s GLU 23 N 1.77 2.14 0.04 4.98 2.56 0.28 -4.98 118.70 125.49 2ddi s GLU 23 Ca 0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 54.97 53.75 2ddi s GLU 23 Cb -0.14 -2.53 -0.07 0.00 2.00 0.00 0.00 34.13 33.39 2ddi s GLU 23 CO -0.07 -0.45 1.53 -1.25 -0.56 0.00 0.00 175.26 174.46 2ddi s PRO 24 N 1.33 4.24 0.42 4.30 0.04 -1.26 -0.82 135.00 143.25 2ddi s PRO 24 Ca -0.02 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.22 2ddi s PRO 24 Cb -0.17 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 2ddi s PRO 24 CO -0.08 -0.65 0.17 0.54 0.04 0.00 0.00 177.00 177.02 2ddi n ARG 25 N 5.39 0.55 -5.01 4.56 5.12 -0.33 -4.92 116.66 122.02 2ddi n ARG 25 Ca 0.14 -3.60 -0.31 0.00 -1.93 0.00 0.00 57.85 52.15 2ddi n ARG 25 Cb 0.42 2.06 -0.14 0.00 -1.16 0.00 0.00 32.46 33.63 2ddi n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ddi s TRP 26 N -3.19 2.49 0.04 -1.55 0.52 -0.68 -0.23 118.94 116.35 2ddi s TRP 26 Ca 0.24 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.07 2ddi s TRP 26 Cb 0.01 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 2ddi s TRP 26 CO 0.17 0.11 -0.08 0.00 0.02 0.00 0.00 176.95 177.17 2ddi s ALA 27 N -0.73 0.57 0.24 0.98 0.00 -0.46 -0.01 121.76 122.35 2ddi s ALA 27 Ca 0.12 -0.69 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 2ddi s ALA 27 Cb -0.10 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 2ddi s ALA 27 CO 0.01 0.00 0.79 -0.47 0.00 0.00 0.00 175.76 176.10 2ddi s TYR 28 N -1.18 3.71 -0.25 0.00 5.04 -1.26 -1.21 117.35 122.19 2ddi s TYR 28 Ca -0.08 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 2ddi s TYR 28 Cb -0.09 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.53 2ddi s TYR 28 CO 0.00 0.33 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.35 2ddi s SER 29 N -1.55 4.31 0.27 4.32 0.01 0.48 -4.74 113.70 116.80 2ddi s SER 29 Ca 0.44 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.68 2ddi s SER 29 Cb -0.18 -1.62 0.36 0.00 0.21 0.00 0.00 66.02 64.80 2ddi s SER 29 CO 0.23 -0.15 1.64 1.55 0.41 0.00 0.00 173.24 176.91 2ddi h PRO 30 N 7.93 0.22 0.00 12.44 0.13 -1.83 0.12 132.00 151.02 2ddi h PRO 30 Ca -0.28 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2ddi h PRO 30 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ddi h PRO 30 CO 0.54 0.68 0.00 -0.07 -0.23 0.00 0.00 178.00 178.92 2ddi h LEU 31 N 0.18 0.00 -0.84 1.56 3.38 -1.95 -0.86 115.31 116.79 2ddi h LEU 31 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ddi h LEU 31 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2ddi h LEU 31 CO 0.08 0.00 -0.22 0.18 0.09 0.00 0.00 178.44 178.57 2ddi n LEU 32 N -2.63 1.36 -3.56 1.67 4.77 -0.84 -4.99 117.00 112.78 2ddi n LEU 32 Ca -0.00 -0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 2ddi n LEU 32 Cb 0.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2ddi n LEU 32 CO 0.19 0.27 -0.06 1.67 -1.33 0.00 0.00 177.39 178.12 2ddi n GLN 33 N -0.15 -2.55 -3.82 3.23 0.00 0.34 -4.87 117.38 109.56 2ddi n GLN 33 Ca 0.05 0.28 -0.06 0.00 -0.00 0.00 0.00 57.00 57.27 2ddi n GLN 33 Cb 0.24 -4.91 -0.01 0.00 0.00 0.00 0.00 30.24 25.56 2ddi n GLN 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2ddi s GLN 34 N -6.20 1.58 -0.03 3.69 2.00 -0.69 -4.74 119.66 115.28 2ddi s GLN 34 Ca 0.46 -0.89 -0.03 0.00 -2.00 0.00 0.00 55.36 52.90 2ddi s GLN 34 Cb -0.26 0.53 -0.04 0.00 0.80 0.00 0.00 33.01 34.04 2ddi s GLN 34 CO 0.56 -0.73 0.16 0.00 -0.50 0.00 0.00 175.29 174.78 2ddi s HIS 36 N -1.26 0.50 0.96 0.00 -3.43 -0.35 -4.97 115.29 106.75 2ddi s HIS 36 Ca 0.25 -0.70 -0.11 0.00 -0.80 0.00 0.00 55.06 53.70 2ddi s HIS 36 Cb -0.12 -0.33 0.17 0.00 -1.43 0.00 0.00 32.58 30.86 2ddi s HIS 36 CO 0.16 -0.20 1.10 -2.14 -2.00 0.00 0.00 174.74 171.65 2ddi s PRO 37 N -2.36 0.71 0.25 -0.38 0.02 -1.26 -1.36 135.00 130.62 2ddi s PRO 37 Ca -0.06 1.19 -0.20 0.00 0.02 0.00 0.00 61.00 61.95 2ddi s PRO 37 Cb -0.04 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.79 2ddi s PRO 37 CO -0.03 -2.73 0.67 -0.59 -0.33 0.00 0.00 177.00 173.99 2ddi s PHE 38 N -2.69 -0.19 -0.37 6.54 -0.71 0.68 -4.77 117.98 116.49 2ddi s PHE 38 Ca 0.66 -0.22 -0.16 0.00 -1.04 0.00 0.00 56.93 56.17 2ddi s PHE 38 Cb -0.22 0.62 -0.00 0.00 -1.21 0.00 0.00 43.02 42.21 2ddi s PHE 38 CO 0.59 -1.14 0.38 0.08 -1.34 0.00 0.00 175.22 173.79 2ddi s VAL 39 N -3.90 5.15 0.32 -2.49 1.01 -1.26 -1.18 120.40 118.05 2ddi s VAL 39 Ca 0.10 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.05 2ddi s VAL 39 Cb -0.05 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2ddi s VAL 39 CO 0.04 -0.19 0.46 -0.47 0.00 0.00 0.00 175.10 174.94 2ddi s TYR 40 N 2.03 3.21 -2.17 5.22 5.04 0.00 -4.62 117.35 126.06 2ddi s TYR 40 Ca 0.11 -0.13 0.18 0.00 -2.44 0.00 0.00 57.07 54.80 2ddi s TYR 40 Cb -0.17 -1.92 0.20 0.00 0.35 0.00 0.00 41.96 40.42 2ddi s TYR 40 CO 0.12 0.07 1.13 0.41 -1.34 0.00 0.00 175.55 175.94 2ddi n GLY 41 N -1.62 0.73 3.03 8.97 0.00 0.62 -0.56 105.19 116.36 2ddi n GLY 41 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.05 0.70 0.97 -0.02 0.00 -1.26 -4.24 105.19 102.38 2ddi n GLY 42 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.78 0.00 4.71 -1.26 -4.85 120.64 115.16 2ddi n GLU 44 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.08 2ddi n GLU 44 Cb 0.17 -0.88 -0.00 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 -0.23 -0.15 0.30 0.62 0.00 -1.26 -3.93 107.32 102.66 2ddi s GLY 45 Ca 0.54 0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.30 2ddi s GLY 45 CO 0.38 0.54 0.41 0.70 0.00 0.00 0.00 173.10 175.13 2ddi n ASN 46 N -0.67 0.63 -0.02 1.64 4.13 -1.26 -5.02 115.26 114.70 2ddi n ASN 46 Ca -0.06 -1.51 0.14 0.00 1.68 0.00 0.00 54.58 54.83 2ddi n ASN 46 Cb 0.61 -0.26 0.65 0.00 -1.54 0.00 0.00 39.78 39.23 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 1.80 -1.32 2.33 7.41 0.00 -1.26 -3.86 105.19 110.29 2ddi n GLY 47 Ca 0.07 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.34 6.72 -3.82 1.61 2.85 -1.26 -1.78 115.26 118.23 2ddi n ASN 48 Ca 0.11 -2.91 -0.28 0.00 -0.11 0.00 0.00 54.58 51.39 2ddi n ASN 48 Cb 0.29 -1.35 -0.16 0.00 1.24 0.00 0.00 39.78 39.80 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 1.04 2.90 0.19 1.20 3.84 -1.25 -4.34 114.94 118.52 2ddi s ASN 49 Ca 0.62 -0.75 0.07 0.00 0.21 0.00 0.00 52.86 53.00 2ddi s ASN 49 Cb 0.30 -0.78 -0.04 0.00 -0.55 0.00 0.00 41.25 40.19 2ddi s ASN 49 CO -0.12 -0.24 0.07 -0.36 -2.79 0.00 0.00 177.10 173.66 2ddi s PHE 50 N 1.72 2.96 -0.71 0.43 0.08 0.99 -4.78 117.98 118.66 2ddi s PHE 50 Ca -0.01 -0.11 0.23 0.00 0.12 0.00 0.00 56.93 57.17 2ddi s PHE 50 Cb -0.16 -1.40 0.14 0.00 -0.57 0.00 0.00 43.02 41.03 2ddi s PHE 50 CO -0.07 0.53 1.12 0.72 -0.10 0.00 0.00 175.22 177.42 2ddi n HIS 51 N -0.44 0.23 -3.74 0.36 8.25 -1.26 -1.69 115.22 116.94 2ddi n HIS 51 Ca -0.09 0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2ddi n HIS 51 Cb 0.56 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.73 -0.19 0.15 0.41 1.04 -1.26 -4.90 113.70 105.23 2ddi s SER 52 Ca 0.06 -0.38 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 2ddi s SER 52 Cb 0.15 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.79 2ddi s SER 52 CO 0.78 -0.90 1.66 -0.09 0.98 0.00 0.00 173.24 175.68 2ddi h ARG 53 N 2.00 0.82 -0.03 4.02 9.65 -1.98 -2.85 114.38 126.01 2ddi h ARG 53 Ca -0.24 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 2ddi h ARG 53 Cb 1.23 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2ddi h ARG 53 CO 0.26 0.78 -0.20 1.49 2.80 0.00 0.00 179.97 185.10 2ddi h GLU 54 N 0.71 -0.22 -0.67 0.20 4.22 -1.98 -0.32 114.58 116.52 2ddi h GLU 54 Ca 0.16 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.66 2ddi h GLU 54 Cb 0.32 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2ddi h GLU 54 CO 0.00 -0.14 0.44 0.66 -2.18 0.00 0.00 179.01 177.79 2ddi h SER 55 N -0.22 0.66 0.20 1.04 4.64 -1.94 0.48 113.55 118.41 2ddi h SER 55 Ca 0.01 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ddi h SER 55 Cb 0.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2ddi h SER 55 CO -0.15 0.45 -0.10 0.00 -0.87 0.00 0.00 176.83 176.16 2ddi h GLU 57 N -0.60 0.45 0.00 0.00 5.08 -0.44 -0.04 114.58 119.02 2ddi h GLU 57 Ca -0.03 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 2ddi h GLU 57 Cb 0.44 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2ddi h GLU 57 CO 0.05 0.32 -0.68 0.22 -1.00 0.00 0.00 179.01 177.91 2ddi h ASP 58 N 0.46 0.00 0.38 1.42 3.58 -0.78 -2.88 116.42 118.60 2ddi h ASP 58 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2ddi h ASP 58 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2ddi h ASP 58 CO -0.02 0.68 -0.18 0.00 -2.88 0.00 0.00 179.24 176.84 2ddi h ALA 59 N 1.32 -0.58 -3.59 -0.78 0.00 -0.09 -3.42 119.26 112.11 2ddi h ALA 59 Ca -0.01 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 2ddi h ALA 59 Cb 1.25 0.20 -0.39 0.00 0.00 0.00 0.00 17.79 18.84 2ddi h ALA 59 CO 0.09 -0.54 -0.69 0.00 0.00 0.00 0.00 179.25 178.11 2ddi n PRO 61 N 4.27 1.70 0.00 0.00 -0.04 -1.09 -4.32 135.00 135.52 2ddi n PRO 61 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2ddi n PRO 61 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.49 0.00 -1.58 0.52 0.31 -1.26 -4.89 118.33 110.94 2ddi n VAL 62 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 64.34 63.80 2ddi n VAL 62 Cb 0.00 -0.20 -0.06 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.08 -2.18 2.52 0.31 -1.26 -4.84 118.33 112.95 2ddi n VAL 63 Ca 0.00 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 2ddi n VAL 63 Cb 0.00 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.20 2ddi n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ddi s ASP 64 N 0.37 6.86 0.00 4.52 2.15 -1.26 -4.91 116.67 124.40 2ddi s ASP 64 Ca 0.84 2.48 0.10 0.00 0.43 0.00 0.00 52.55 56.40 2ddi s ASP 64 Cb -0.99 -2.62 0.53 0.00 -0.30 0.00 0.00 42.92 39.55 2ddi s ASP 64 CO 0.49 -0.54 1.18 1.41 -0.17 0.00 0.00 175.17 177.54 2ddi n HIS 65 N 2.25 0.00 0.00 -5.34 8.25 -1.26 -4.46 115.22 114.66 2ddi n HIS 65 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2ddi n HIS 65 Cb 0.42 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2ddi n HIS 65 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddi n HIS 66 N -1.23 0.00 0.00 4.41 -0.00 -1.26 -5.08 115.22 112.06 2ddi n HIS 66 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2ddi n HIS 66 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2ddi n HIS 66 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ddi n HIS 67 N -0.47 0.00 -2.44 -1.40 1.44 -1.26 -5.18 115.22 105.91 2ddi n HIS 67 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 2ddi n HIS 67 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 2ddi n HIS 67 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ddi s HIS 68 N 0.00 3.55 0.55 -1.40 -3.43 -1.26 -5.06 115.29 108.24 2ddi s HIS 68 Ca 0.00 0.90 -0.20 0.00 -0.80 0.00 0.00 55.06 54.96 2ddi s HIS 68 Cb 0.00 -2.44 -0.06 0.00 -1.43 0.00 0.00 32.58 28.65 2ddi s HIS 68 CO 0.00 -0.43 1.07 1.58 -2.00 0.00 0.00 174.74 174.96 2ddi n HIS 69 N -2.41 1.26 -0.64 0.38 -0.00 -1.26 -4.91 115.22 107.64 2ddi n HIS 69 Ca 0.02 0.46 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 2ddi n HIS 69 Cb 0.55 -2.21 0.00 0.00 -0.00 0.00 0.00 29.99 28.33 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92