#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 0.40 0.46 4.31 0.00 -0.18 -4.81 121.76 121.94 2ddi s ALA 2 Ca 0.00 -1.25 0.31 0.00 0.00 0.00 0.00 51.96 51.02 2ddi s ALA 2 Cb 0.00 1.20 1.65 0.00 0.00 0.00 0.00 23.12 25.97 2ddi s ALA 2 CO 0.00 -0.73 2.14 0.93 0.00 0.00 0.00 175.76 178.11 2ddi h GLU 3 N 2.43 0.00 0.00 0.00 4.39 -1.99 -3.24 114.58 116.18 2ddi h GLU 3 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2ddi h GLU 3 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2ddi h GLU 3 CO 0.44 0.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.36 2ddi n ALA 4 N -2.25 0.00 -0.78 3.43 0.00 -1.26 -5.03 120.51 114.62 2ddi n ALA 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ddi n ALA 4 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2ddi n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddi n GLU 5 N -0.48 0.00 -3.51 0.00 -0.58 -1.22 -5.04 120.64 109.81 2ddi n GLU 5 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2ddi n GLU 5 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2ddi n GLU 5 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2ddi s PHE 6 N -0.22 -0.47 -0.28 -0.32 5.36 -1.26 -1.01 117.98 119.78 2ddi s PHE 6 Ca 0.00 0.57 -0.26 0.00 -0.96 0.00 0.00 56.93 56.27 2ddi s PHE 6 Cb 0.00 0.49 0.18 0.00 -0.34 0.00 0.00 43.02 43.35 2ddi s PHE 6 CO 0.00 -0.57 1.35 0.99 -1.46 0.00 0.00 175.22 175.53 2ddi s THR 7 N -2.27 0.00 0.29 0.12 2.01 -1.26 -4.91 115.64 109.62 2ddi s THR 7 Ca -0.01 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 2ddi s THR 7 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 2ddi s THR 7 CO -0.02 0.00 0.42 -0.62 -0.69 0.00 0.00 174.62 173.70 2ddi s ASP 8 N -0.32 0.50 0.61 3.53 2.15 -1.26 -4.80 116.67 117.09 2ddi s ASP 8 Ca 0.07 -1.31 0.29 0.00 0.43 0.00 0.00 52.55 52.03 2ddi s ASP 8 Cb -0.04 0.59 1.53 0.00 -0.30 0.00 0.00 42.92 44.70 2ddi s ASP 8 CO -0.12 -1.17 1.91 0.00 -0.17 0.00 0.00 175.17 175.63 2ddi h ALA 9 N 2.24 1.87 -0.92 3.66 0.00 -1.95 -1.85 119.26 122.31 2ddi h ALA 9 Ca -0.29 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.88 2ddi h ALA 9 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2ddi h ALA 9 CO 0.40 -0.56 0.69 0.00 0.00 0.00 0.00 179.25 179.78 2ddi h VAL 11 N 0.00 1.14 -3.18 0.00 2.07 -1.63 -3.40 116.25 111.24 2ddi h VAL 11 Ca 0.44 -2.42 -0.53 0.00 0.82 0.00 0.00 66.70 65.00 2ddi h VAL 11 Cb 1.81 2.44 0.02 0.00 -1.52 0.00 0.00 31.29 34.04 2ddi h VAL 11 CO -0.00 0.61 0.64 -0.22 0.02 0.00 0.00 177.57 178.61 2ddi s LEU 12 N -6.70 4.39 0.71 2.57 2.96 0.16 -4.76 118.68 118.01 2ddi s LEU 12 Ca 0.02 2.22 -0.16 0.00 -0.22 0.00 0.00 54.13 55.98 2ddi s LEU 12 Cb 0.09 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2ddi s LEU 12 CO 0.76 -0.53 0.59 -2.65 -1.32 0.00 0.00 176.35 173.19 2ddi n PRO 13 N 3.57 0.34 -2.17 0.98 -0.02 -1.26 -4.71 135.00 131.73 2ddi n PRO 13 Ca 0.09 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 2ddi n PRO 13 Cb 0.44 -1.87 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.89 3.20 0.01 3.55 0.00 -1.26 -4.79 121.76 120.58 2ddi s ALA 14 Ca 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2ddi s ALA 14 Cb -0.35 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2ddi s ALA 14 CO 0.57 -0.62 -0.00 0.08 0.00 0.00 0.00 175.76 175.78 2ddi s VAL 15 N -3.04 0.09 -0.00 0.00 1.01 -1.26 -5.00 120.40 112.20 2ddi s VAL 15 Ca 0.53 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2ddi s VAL 15 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2ddi s VAL 15 CO 0.50 -0.42 0.44 1.56 0.00 0.00 0.00 175.10 177.18 2ddi h GLN 16 N 4.79 -0.07 0.00 2.72 4.20 -1.92 -3.41 115.11 121.42 2ddi h GLN 16 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2ddi h GLN 16 Cb 1.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2ddi h GLN 16 CO 0.42 -0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.94 2ddi n GLY 17 N 0.72 1.84 0.13 3.46 0.00 -1.25 -0.54 105.19 109.54 2ddi n GLY 17 Ca -0.01 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.14 2ddi n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddi h PRO 18 N 0.00 0.00 -7.54 1.61 0.13 -1.91 -3.46 132.00 120.83 2ddi h PRO 18 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.71 2ddi h PRO 18 Cb 0.00 0.00 0.19 0.00 0.13 0.00 0.00 31.00 31.32 2ddi h PRO 18 CO 0.00 0.00 0.22 0.00 -0.23 0.00 0.00 178.00 177.99 2ddi n ARG 20 N -4.52 0.21 -2.80 0.00 1.74 -1.26 -4.96 116.66 105.07 2ddi n ARG 20 Ca 0.15 -0.50 -0.31 0.00 -0.77 0.00 0.00 57.85 56.42 2ddi n ARG 20 Cb 0.60 -0.73 -0.04 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.17 2.05 -0.23 -0.13 0.00 -1.26 -5.06 107.32 102.52 2ddi s GLY 21 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.66 2ddi s GLY 21 CO 0.00 0.16 -0.02 -0.98 0.00 0.00 0.00 173.10 172.26 2ddi s TRP 22 N -2.35 2.02 -0.31 1.90 0.23 -1.26 -4.29 118.94 114.88 2ddi s TRP 22 Ca 0.54 -1.53 -0.08 0.00 -2.03 0.00 0.00 56.10 53.00 2ddi s TRP 22 Cb -0.10 -1.45 0.01 0.00 0.03 0.00 0.00 33.47 31.96 2ddi s TRP 22 CO 0.28 -0.74 0.11 -2.00 0.96 0.00 0.00 176.95 175.56 2ddi s GLU 23 N 1.52 3.05 0.05 4.98 2.56 0.29 -4.95 118.70 126.21 2ddi s GLU 23 Ca -0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 54.97 53.73 2ddi s GLU 23 Cb -0.18 -3.45 -0.06 0.00 2.00 0.00 0.00 34.13 32.44 2ddi s GLU 23 CO -0.07 -0.49 1.37 -1.25 -0.56 0.00 0.00 175.26 174.26 2ddi s PRO 24 N 1.51 4.32 0.39 4.30 0.04 -1.26 -0.77 135.00 143.53 2ddi s PRO 24 Ca 0.02 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2ddi s PRO 24 Cb -0.18 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2ddi s PRO 24 CO 0.03 -0.48 0.17 1.03 0.04 0.00 0.00 177.00 177.80 2ddi s ARG 25 N 1.72 1.90 -0.05 4.56 1.81 -0.61 -4.93 118.95 123.35 2ddi s ARG 25 Ca 0.64 -2.15 0.04 0.00 -1.72 0.00 0.00 55.73 52.53 2ddi s ARG 25 Cb -0.33 -0.35 -0.03 0.00 -0.45 0.00 0.00 34.95 33.79 2ddi s ARG 25 CO 0.28 -0.54 -0.15 -1.58 -0.68 0.00 0.00 175.30 172.64 2ddi s TRP 26 N -3.27 2.69 0.02 -0.53 0.52 -0.61 -0.31 118.94 117.46 2ddi s TRP 26 Ca 0.28 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.24 2ddi s TRP 26 Cb 0.02 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 2ddi s TRP 26 CO 0.18 0.17 -0.07 0.00 0.02 0.00 0.00 176.95 177.25 2ddi s ALA 27 N -0.70 0.53 0.23 0.98 0.00 -0.39 -0.08 121.76 122.33 2ddi s ALA 27 Ca 0.11 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 2ddi s ALA 27 Cb -0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 2ddi s ALA 27 CO 0.01 0.04 0.90 -0.47 0.00 0.00 0.00 175.76 176.24 2ddi s TYR 28 N -0.80 3.94 -0.25 0.00 5.04 -1.26 -1.19 117.35 122.83 2ddi s TYR 28 Ca -0.04 1.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 2ddi s TYR 28 Cb -0.06 -2.92 0.04 0.00 0.35 0.00 0.00 41.96 39.36 2ddi s TYR 28 CO 0.00 0.45 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.46 2ddi s SER 29 N -1.22 4.30 0.29 4.32 0.01 0.46 -4.77 113.70 117.08 2ddi s SER 29 Ca 0.41 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.65 2ddi s SER 29 Cb -0.25 -1.61 0.43 0.00 0.21 0.00 0.00 66.02 64.80 2ddi s SER 29 CO 0.30 -0.15 1.69 1.55 0.41 0.00 0.00 173.24 177.04 2ddi h PRO 30 N 7.93 0.30 0.00 12.44 0.13 -1.82 0.14 132.00 151.11 2ddi h PRO 30 Ca -0.28 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ddi h PRO 30 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.65 0.00 -0.07 -0.23 0.00 0.00 178.00 178.89 2ddi h LEU 31 N 0.26 0.00 -0.57 1.56 3.38 -1.94 -1.25 115.31 116.75 2ddi h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ddi h LEU 31 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ddi h LEU 31 CO 0.06 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.61 2ddi n LEU 32 N -2.31 0.88 -4.22 1.67 4.77 -0.84 -5.00 117.00 111.94 2ddi n LEU 32 Ca 0.00 -0.72 -0.36 0.00 -0.03 0.00 0.00 56.01 54.90 2ddi n LEU 32 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2ddi n LEU 32 CO 0.15 0.19 -0.03 1.67 -1.33 0.00 0.00 177.39 178.04 2ddi n GLN 33 N -0.46 -3.16 -3.65 3.23 7.27 0.40 -4.91 117.38 116.10 2ddi n GLN 33 Ca 0.03 0.37 -0.07 0.00 0.07 0.00 0.00 57.00 57.39 2ddi n GLN 33 Cb 0.14 -5.09 -0.02 0.00 2.41 0.00 0.00 30.24 27.68 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 -6.93 1.26 0.06 3.69 0.74 -0.72 -4.62 119.66 113.14 2ddi s GLN 34 Ca 0.73 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 55.50 2ddi s GLN 34 Cb -0.40 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 2ddi s GLN 34 CO 0.93 -0.57 0.26 0.00 -0.55 0.00 0.00 175.29 175.36 2ddi s HIS 36 N -1.48 0.31 0.88 0.00 -3.43 -0.33 -4.96 115.29 106.28 2ddi s HIS 36 Ca 0.34 -0.69 -0.10 0.00 -0.80 0.00 0.00 55.06 53.81 2ddi s HIS 36 Cb -0.13 -0.23 0.12 0.00 -1.43 0.00 0.00 32.58 30.92 2ddi s HIS 36 CO 0.23 -0.33 1.13 -2.14 -2.00 0.00 0.00 174.74 171.63 2ddi s PRO 37 N -2.78 1.34 0.16 -0.38 0.02 -1.26 -1.26 135.00 130.84 2ddi s PRO 37 Ca -0.04 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.23 2ddi s PRO 37 Cb -0.00 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.79 2ddi s PRO 37 CO -0.06 -2.37 0.50 -0.59 -0.33 0.00 0.00 177.00 174.16 2ddi s PHE 38 N -2.72 -0.26 -0.17 6.54 -0.71 0.58 -4.78 117.98 116.46 2ddi s PHE 38 Ca 0.65 -0.05 -0.24 0.00 -1.04 0.00 0.00 56.93 56.25 2ddi s PHE 38 Cb -0.21 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2ddi s PHE 38 CO 0.57 -0.83 0.78 0.08 -1.34 0.00 0.00 175.22 174.48 2ddi s VAL 39 N -3.82 4.92 0.31 -2.49 1.01 -1.26 -1.57 120.40 117.50 2ddi s VAL 39 Ca 0.05 1.52 0.09 0.00 0.00 0.00 0.00 61.98 63.64 2ddi s VAL 39 Cb -0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2ddi s VAL 39 CO -0.08 0.05 0.02 -0.47 0.00 0.00 0.00 175.10 174.62 2ddi s TYR 40 N 2.05 2.61 -1.39 5.22 5.04 0.05 -4.17 117.35 126.78 2ddi s TYR 40 Ca 0.36 -0.34 0.13 0.00 -2.44 0.00 0.00 57.07 54.77 2ddi s TYR 40 Cb -0.16 -1.38 0.22 0.00 0.35 0.00 0.00 41.96 40.98 2ddi s TYR 40 CO 0.12 0.52 1.08 0.41 -1.34 0.00 0.00 175.55 176.34 2ddi n GLY 41 N -0.95 1.13 3.52 8.97 0.00 0.30 -0.54 105.19 117.62 2ddi n GLY 41 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.71 2.25 1.00 -0.02 0.00 -1.26 -4.42 105.19 103.45 2ddi n GLY 42 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.00 -1.82 0.00 4.71 -1.26 -4.84 120.64 117.07 2ddi n GLU 44 Ca -0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2ddi n GLU 44 Cb 0.18 -0.91 0.00 0.00 -1.01 0.00 0.00 31.44 29.70 2ddi n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ddi n GLY 45 N 1.15 1.15 3.99 0.62 0.00 -1.26 -3.96 105.19 106.88 2ddi n GLY 45 Ca 0.13 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 2ddi n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ddi s ASN 46 N -1.37 4.76 0.07 1.61 0.01 -1.26 -5.01 114.94 113.75 2ddi s ASN 46 Ca 0.03 -0.31 0.27 0.00 -0.71 0.00 0.00 52.86 52.14 2ddi s ASN 46 Cb -0.00 -0.27 0.88 0.00 0.41 0.00 0.00 41.25 42.27 2ddi s ASN 46 CO 0.01 -1.55 1.71 0.61 -1.51 0.00 0.00 177.10 176.37 2ddi n GLY 47 N -2.59 -1.49 3.39 0.66 0.00 -1.26 -4.38 105.19 99.52 2ddi n GLY 47 Ca 0.13 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.76 4.08 -3.53 1.61 2.85 -1.26 -4.79 115.26 112.46 2ddi n ASN 48 Ca 0.06 -2.83 -0.16 0.00 -0.11 0.00 0.00 54.58 51.54 2ddi n ASN 48 Cb 0.37 -1.67 -0.13 0.00 1.24 0.00 0.00 39.78 39.59 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 4.67 0.97 0.29 1.20 3.84 -1.26 -4.64 114.94 120.00 2ddi s ASN 49 Ca 0.57 0.06 0.11 0.00 0.21 0.00 0.00 52.86 53.81 2ddi s ASN 49 Cb 0.06 0.53 -0.05 0.00 -0.55 0.00 0.00 41.25 41.23 2ddi s ASN 49 CO 0.07 -0.30 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.55 2ddi s PHE 50 N 2.37 2.27 -0.40 0.43 0.08 0.88 -4.95 117.98 118.67 2ddi s PHE 50 Ca 0.06 -0.38 0.23 0.00 0.12 0.00 0.00 56.93 56.95 2ddi s PHE 50 Cb -0.15 -1.06 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2ddi s PHE 50 CO -0.11 0.67 0.96 0.72 -0.10 0.00 0.00 175.22 177.35 2ddi n HIS 51 N -0.64 0.47 -3.78 0.36 8.25 -1.26 -1.57 115.22 117.05 2ddi n HIS 51 Ca -0.05 0.14 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2ddi n HIS 51 Cb 0.61 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 -4.50 -0.19 0.07 0.41 1.04 -1.26 -4.86 113.70 104.41 2ddi s SER 52 Ca 0.01 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 55.75 2ddi s SER 52 Cb 0.13 0.54 -0.16 0.00 0.10 0.00 0.00 66.02 66.62 2ddi s SER 52 CO 0.81 -0.99 1.67 -0.09 0.98 0.00 0.00 173.24 175.61 2ddi h ARG 53 N 2.00 -0.01 -0.06 4.02 9.65 -1.97 -2.79 114.38 125.21 2ddi h ARG 53 Ca -0.23 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2ddi h ARG 53 Cb 1.23 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.80 2ddi h ARG 53 CO 0.25 0.06 -0.17 1.49 2.80 0.00 0.00 179.97 184.40 2ddi h GLU 54 N -0.09 -0.17 -0.55 0.20 4.81 -1.98 -1.06 114.58 115.74 2ddi h GLU 54 Ca -0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2ddi h GLU 54 Cb 0.08 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2ddi h GLU 54 CO 0.00 -0.11 0.37 0.66 -0.73 0.00 0.00 179.01 179.20 2ddi h SER 55 N -0.18 0.33 -0.01 1.04 4.64 -1.95 0.70 113.55 118.13 2ddi h SER 55 Ca 0.01 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2ddi h SER 55 Cb 0.21 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2ddi h SER 55 CO -0.15 0.21 -0.02 0.00 -0.87 0.00 0.00 176.83 176.00 2ddi h GLU 57 N -0.51 0.32 -0.64 0.00 5.08 -0.65 0.49 114.58 118.67 2ddi h GLU 57 Ca 0.00 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2ddi h GLU 57 Cb 0.57 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2ddi h GLU 57 CO 0.00 0.58 0.19 0.22 -1.00 0.00 0.00 179.01 179.00 2ddi h ASP 58 N 0.29 0.91 -0.19 1.42 3.58 -0.89 -1.92 116.42 119.61 2ddi h ASP 58 Ca 0.04 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2ddi h ASP 58 Cb 0.64 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2ddi h ASP 58 CO 0.05 0.86 -0.19 0.00 -2.88 0.00 0.00 179.24 177.07 2ddi h ALA 59 N 1.26 0.28 -2.87 -0.78 0.00 -0.51 -3.42 119.26 113.22 2ddi h ALA 59 Ca 0.21 -0.35 -0.51 0.00 0.00 0.00 0.00 54.91 54.26 2ddi h ALA 59 Cb 0.28 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 2ddi h ALA 59 CO -0.01 0.21 -0.77 0.00 0.00 0.00 0.00 179.25 178.68 2ddi n PRO 61 N 5.25 0.77 0.00 0.00 -0.04 -0.73 -4.19 135.00 136.05 2ddi n PRO 61 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2ddi n PRO 61 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.62 0.00 -1.61 0.52 0.31 -1.26 -4.77 118.33 110.90 2ddi n VAL 62 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 64.34 63.82 2ddi n VAL 62 Cb 0.00 -0.75 -0.06 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.02 -4.18 2.52 0.31 -1.26 -4.94 118.33 110.80 2ddi n VAL 63 Ca 0.00 -0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 2ddi n VAL 63 Cb 0.00 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.72 4.87 0.98 4.52 2.15 -1.26 -5.13 116.67 123.52 2ddi s ASP 64 Ca 0.84 -0.56 -0.12 0.00 0.43 0.00 0.00 52.55 53.14 2ddi s ASP 64 Cb -0.90 -0.97 0.18 0.00 -0.30 0.00 0.00 42.92 40.93 2ddi s ASP 64 CO 0.46 -0.09 1.08 -1.00 -0.17 0.00 0.00 175.17 175.44 2ddi s HIS 65 N -2.30 1.92 -1.35 -5.34 3.76 -1.26 -4.88 115.29 105.84 2ddi s HIS 65 Ca 0.34 1.29 -0.17 0.00 -0.15 0.00 0.00 55.06 56.37 2ddi s HIS 65 Cb -0.06 -3.18 0.06 0.00 1.11 0.00 0.00 32.58 30.51 2ddi s HIS 65 CO 0.22 -2.91 1.90 1.58 -0.85 0.00 0.00 174.74 174.67 2ddi n HIS 66 N -4.25 4.29 -1.26 1.40 -0.00 -1.26 -4.95 115.22 109.19 2ddi n HIS 66 Ca 0.06 -2.90 -0.36 0.00 0.46 0.00 0.00 57.72 54.99 2ddi n HIS 66 Cb 0.55 -2.60 0.08 0.00 -0.12 0.00 0.00 29.99 27.90 2ddi n HIS 66 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2ddi n HIS 67 N 7.55 -0.14 -3.71 1.57 1.44 -1.26 -5.03 115.22 115.63 2ddi n HIS 67 Ca 0.50 0.37 -0.05 0.00 -2.01 0.00 0.00 57.72 56.52 2ddi n HIS 67 Cb 0.44 -1.98 -0.02 0.00 0.12 0.00 0.00 29.99 28.55 2ddi n HIS 67 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2ddi s HIS 68 N -1.92 -0.19 0.00 -1.40 2.46 -1.26 -5.08 115.29 107.90 2ddi s HIS 68 Ca 0.68 -0.10 0.00 0.00 0.47 0.00 0.00 55.06 56.11 2ddi s HIS 68 Cb -0.34 0.63 0.00 0.00 -0.13 0.00 0.00 32.58 32.74 2ddi s HIS 68 CO 0.55 -0.83 0.00 -2.39 -2.47 0.00 0.00 174.74 169.60 2ddi n HIS 69 N -0.43 0.00 0.85 3.88 1.44 -1.26 -5.07 115.22 114.63 2ddi n HIS 69 Ca -0.07 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.71 2ddi n HIS 69 Cb 0.61 0.00 0.40 0.00 0.12 0.00 0.00 29.99 31.12 2ddi n HIS 69 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14