#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddi n ALA 2 N 0.00 0.00 -0.04 0.62 0.00 -1.26 -5.06 120.51 114.77 2ddi n ALA 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ddi n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2ddi n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddi h GLU 3 N 0.00 -0.45 0.00 0.00 4.39 -1.90 -3.44 114.58 113.17 2ddi h GLU 3 Ca 0.00 0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.15 2ddi h GLU 3 Cb 0.00 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 2ddi h GLU 3 CO 0.00 -0.30 -0.38 0.00 -1.16 0.00 0.00 179.01 177.16 2ddi n ALA 4 N -3.00 0.52 0.25 3.43 0.00 -1.26 -0.55 120.51 119.90 2ddi n ALA 4 Ca -0.04 -2.08 0.13 0.00 0.00 0.00 0.00 53.44 51.45 2ddi n ALA 4 Cb 0.36 1.05 0.65 0.00 0.00 0.00 0.00 19.45 21.52 2ddi n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddi h GLU 5 N 0.00 0.00 -6.25 0.00 3.07 -1.91 -3.43 114.58 106.06 2ddi h GLU 5 Ca -0.37 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.02 2ddi h GLU 5 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2ddi h GLU 5 CO 0.60 0.14 -0.40 0.12 -1.40 0.00 0.00 179.01 178.07 2ddi s PHE 6 N -3.93 3.02 -0.18 4.33 5.36 -1.26 -4.97 117.98 120.36 2ddi s PHE 6 Ca -0.01 -0.25 -0.13 0.00 -0.96 0.00 0.00 56.93 55.58 2ddi s PHE 6 Cb 0.12 -1.86 0.06 0.00 -0.34 0.00 0.00 43.02 40.99 2ddi s PHE 6 CO 0.59 0.12 0.46 0.99 -1.46 0.00 0.00 175.22 175.92 2ddi s THR 7 N -2.23 -0.01 0.40 0.12 2.01 -1.26 -4.71 115.64 109.96 2ddi s THR 7 Ca 0.42 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.50 2ddi s THR 7 Cb -0.08 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2ddi s THR 7 CO 0.29 0.02 0.14 -0.62 -0.69 0.00 0.00 174.62 173.76 2ddi s ASP 8 N 0.92 2.69 0.59 3.53 2.15 -1.26 -5.03 116.67 120.26 2ddi s ASP 8 Ca -0.05 -1.68 0.30 0.00 0.43 0.00 0.00 52.55 51.54 2ddi s ASP 8 Cb -0.06 0.52 1.34 0.00 -0.30 0.00 0.00 42.92 44.42 2ddi s ASP 8 CO -0.08 -0.95 1.70 0.00 -0.17 0.00 0.00 175.17 175.68 2ddi h ALA 9 N 1.82 2.61 -1.16 3.66 0.00 -1.95 -1.84 119.26 122.40 2ddi h ALA 9 Ca -0.34 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 54.87 2ddi h ALA 9 Cb 1.27 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2ddi h ALA 9 CO 0.55 -1.19 0.77 0.00 0.00 0.00 0.00 179.25 179.38 2ddi h VAL 11 N 0.22 0.90 -2.86 0.00 2.07 -1.62 -3.38 116.25 111.58 2ddi h VAL 11 Ca 0.64 -1.90 -0.53 0.00 0.82 0.00 0.00 66.70 65.73 2ddi h VAL 11 Cb 1.97 2.18 0.02 0.00 -1.52 0.00 0.00 31.29 33.95 2ddi h VAL 11 CO -0.24 0.45 0.86 -0.22 0.02 0.00 0.00 177.57 178.43 2ddi s LEU 12 N -6.76 4.36 0.66 2.57 2.96 0.16 -4.68 118.68 117.95 2ddi s LEU 12 Ca 0.02 2.38 -0.17 0.00 -0.22 0.00 0.00 54.13 56.14 2ddi s LEU 12 Cb 0.09 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 2ddi s LEU 12 CO 0.72 -0.77 0.49 -2.65 -1.32 0.00 0.00 176.35 172.82 2ddi n PRO 13 N 4.72 0.38 -2.02 0.98 -0.02 -1.26 -4.71 135.00 133.07 2ddi n PRO 13 Ca 0.14 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 2ddi n PRO 13 Cb 0.41 -1.74 -0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.83 3.05 0.02 3.55 0.00 -1.26 -4.84 121.76 120.45 2ddi s ALA 14 Ca 0.66 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2ddi s ALA 14 Cb -0.39 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2ddi s ALA 14 CO 0.57 -0.59 -0.03 0.08 0.00 0.00 0.00 175.76 175.79 2ddi s VAL 15 N -2.98 0.15 -0.00 0.00 1.01 -1.26 -5.03 120.40 112.29 2ddi s VAL 15 Ca 0.57 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2ddi s VAL 15 Cb -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 2ddi s VAL 15 CO 0.47 -0.43 0.39 1.56 0.00 0.00 0.00 175.10 177.09 2ddi h GLN 16 N 4.79 -0.01 0.00 2.72 4.20 -1.92 -3.42 115.11 121.47 2ddi h GLN 16 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2ddi h GLN 16 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2ddi h GLN 16 CO 0.42 -0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.98 2ddi n GLY 17 N 0.83 1.87 0.24 3.46 0.00 -1.26 -0.42 105.19 109.92 2ddi n GLY 17 Ca -0.00 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -7.55 1.61 0.13 -1.92 -3.47 132.00 120.80 2ddi h PRO 18 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 2ddi h PRO 18 Cb 0.00 0.00 0.18 0.00 0.13 0.00 0.00 31.00 31.31 2ddi h PRO 18 CO 0.00 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.01 2ddi n ARG 20 N -4.41 0.50 -2.63 0.00 3.00 -1.26 -5.00 116.66 106.86 2ddi n ARG 20 Ca 0.14 -0.93 -0.32 0.00 -0.01 0.00 0.00 57.85 56.73 2ddi n ARG 20 Cb 0.59 -1.03 -0.04 0.00 0.00 0.00 0.00 32.46 31.99 2ddi n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ddi s GLY 21 N -0.43 2.07 -0.06 -0.13 0.00 -1.26 -5.07 107.32 102.44 2ddi s GLY 21 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2ddi s GLY 21 CO 0.02 0.30 -0.04 -0.98 0.00 0.00 0.00 173.10 172.40 2ddi s TRP 22 N -2.46 0.87 -0.19 1.90 0.23 -1.26 -4.33 118.94 113.70 2ddi s TRP 22 Ca 0.56 -0.29 0.00 0.00 -2.03 0.00 0.00 56.10 54.35 2ddi s TRP 22 Cb -0.10 -0.81 0.05 0.00 0.03 0.00 0.00 33.47 32.64 2ddi s TRP 22 CO 0.29 -0.28 -0.07 -2.00 0.96 0.00 0.00 176.95 175.85 2ddi s GLU 23 N 1.28 1.73 0.07 4.98 2.56 0.33 -4.98 118.70 124.69 2ddi s GLU 23 Ca -0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 54.97 53.86 2ddi s GLU 23 Cb -0.14 -2.31 -0.06 0.00 2.00 0.00 0.00 34.13 33.62 2ddi s GLU 23 CO -0.02 -0.46 1.27 -1.25 -0.56 0.00 0.00 175.26 174.23 2ddi s PRO 24 N 1.48 4.39 0.37 4.30 0.04 -1.26 -0.82 135.00 143.50 2ddi s PRO 24 Ca -0.01 1.87 0.05 0.00 0.04 0.00 0.00 61.00 62.95 2ddi s PRO 24 Cb -0.16 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2ddi s PRO 24 CO -0.08 -0.33 0.19 1.03 0.04 0.00 0.00 177.00 177.85 2ddi s ARG 25 N 1.13 1.83 -0.04 4.56 1.81 -0.63 -4.94 118.95 122.67 2ddi s ARG 25 Ca 0.61 -2.09 0.02 0.00 -1.72 0.00 0.00 55.73 52.54 2ddi s ARG 25 Cb -0.32 -0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.95 2ddi s ARG 25 CO 0.29 -0.55 -0.07 -1.58 -0.68 0.00 0.00 175.30 172.71 2ddi s TRP 26 N -3.34 2.90 0.02 -0.53 0.52 -0.65 -0.35 118.94 117.51 2ddi s TRP 26 Ca 0.31 -0.01 0.01 0.00 0.02 0.00 0.00 56.10 56.43 2ddi s TRP 26 Cb 0.03 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2ddi s TRP 26 CO 0.20 0.34 -0.04 0.00 0.02 0.00 0.00 176.95 177.47 2ddi s ALA 27 N -0.88 0.23 0.13 0.98 0.00 -0.42 -0.05 121.76 121.75 2ddi s ALA 27 Ca 0.14 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 2ddi s ALA 27 Cb -0.11 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2ddi s ALA 27 CO 0.04 -0.06 0.88 -0.47 0.00 0.00 0.00 175.76 176.15 2ddi s TYR 28 N -0.95 3.85 -0.25 0.00 5.04 -1.26 -1.07 117.35 122.71 2ddi s TYR 28 Ca -0.09 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 2ddi s TYR 28 Cb -0.07 -2.94 0.04 0.00 0.35 0.00 0.00 41.96 39.34 2ddi s TYR 28 CO -0.00 0.32 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.32 2ddi s SER 29 N -0.43 4.22 0.30 4.32 0.01 0.24 -4.75 113.70 117.60 2ddi s SER 29 Ca 0.42 -1.04 0.03 0.00 1.31 0.00 0.00 55.95 56.68 2ddi s SER 29 Cb -0.23 -1.60 0.47 0.00 0.21 0.00 0.00 66.02 64.86 2ddi s SER 29 CO 0.28 -0.14 1.76 1.55 0.41 0.00 0.00 173.24 177.10 2ddi h PRO 30 N 7.93 0.46 0.00 12.44 0.13 -1.83 0.13 132.00 151.25 2ddi h PRO 30 Ca -0.30 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ddi h PRO 30 Cb 1.09 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ddi h PRO 30 CO 0.55 0.65 0.00 1.28 -0.23 0.00 0.00 178.00 180.24 2ddi n LEU 31 N -4.15 0.11 0.00 1.56 4.77 -1.26 -1.08 117.00 116.95 2ddi n LEU 31 Ca -0.00 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2ddi n LEU 31 Cb 0.38 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2ddi n LEU 31 CO 0.41 -0.45 0.14 0.18 -1.33 0.00 0.00 177.39 176.34 2ddi n LEU 32 N -1.63 0.56 -3.51 2.23 4.77 -0.77 -5.01 117.00 113.64 2ddi n LEU 32 Ca 0.01 -0.76 -0.25 0.00 -0.03 0.00 0.00 56.01 54.98 2ddi n LEU 32 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2ddi n LEU 32 CO 0.08 0.14 -0.04 1.67 -1.33 0.00 0.00 177.39 177.91 2ddi n GLN 33 N -0.41 -3.23 -3.67 3.23 7.27 0.37 -4.90 117.38 116.04 2ddi n GLN 33 Ca 0.00 0.42 -0.06 0.00 0.07 0.00 0.00 57.00 57.43 2ddi n GLN 33 Cb 0.00 -5.12 -0.02 0.00 2.41 0.00 0.00 30.24 27.52 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 -6.16 1.22 0.08 3.69 0.74 -0.71 -4.97 119.66 113.56 2ddi s GLN 34 Ca 0.45 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 55.17 2ddi s GLN 34 Cb -0.24 0.46 -0.06 0.00 1.10 0.00 0.00 33.01 34.27 2ddi s GLN 34 CO 0.56 -0.55 0.39 0.00 -0.55 0.00 0.00 175.29 175.13 2ddi s HIS 36 N -1.43 0.31 0.78 0.00 -3.43 -0.23 -4.96 115.29 106.33 2ddi s HIS 36 Ca 0.34 -0.70 -0.13 0.00 -0.80 0.00 0.00 55.06 53.77 2ddi s HIS 36 Cb -0.14 -0.22 0.07 0.00 -1.43 0.00 0.00 32.58 30.86 2ddi s HIS 36 CO 0.19 -0.37 1.15 -2.14 -2.00 0.00 0.00 174.74 171.57 2ddi s PRO 37 N -3.03 1.94 0.14 -0.38 0.02 -1.26 -1.30 135.00 131.13 2ddi s PRO 37 Ca -0.01 1.51 -0.16 0.00 0.02 0.00 0.00 61.00 62.36 2ddi s PRO 37 Cb 0.01 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.73 2ddi s PRO 37 CO -0.07 -1.94 0.41 -0.59 -0.33 0.00 0.00 177.00 174.49 2ddi s PHE 38 N -2.44 -0.13 -0.16 6.54 -0.71 0.53 -4.81 117.98 116.79 2ddi s PHE 38 Ca 0.68 -0.19 -0.24 0.00 -1.04 0.00 0.00 56.93 56.14 2ddi s PHE 38 Cb -0.23 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 2ddi s PHE 38 CO 0.51 -0.74 0.77 0.08 -1.34 0.00 0.00 175.22 174.49 2ddi s VAL 39 N -3.83 4.93 0.33 -2.49 1.01 -1.26 -1.61 120.40 117.48 2ddi s VAL 39 Ca 0.05 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.63 2ddi s VAL 39 Cb 0.01 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2ddi s VAL 39 CO -0.09 0.07 -0.01 -0.47 0.00 0.00 0.00 175.10 174.60 2ddi s TYR 40 N 1.92 2.54 -2.42 5.22 5.04 0.00 -4.13 117.35 125.53 2ddi s TYR 40 Ca 0.36 -0.40 0.20 0.00 -2.44 0.00 0.00 57.07 54.79 2ddi s TYR 40 Cb -0.17 -1.41 0.13 0.00 0.35 0.00 0.00 41.96 40.87 2ddi s TYR 40 CO 0.13 0.52 1.12 0.41 -1.34 0.00 0.00 175.55 176.38 2ddi n GLY 41 N -0.92 0.52 4.26 8.97 0.00 0.44 -0.51 105.19 117.95 2ddi n GLY 41 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.17 1.07 1.09 -0.02 0.00 -1.26 -4.53 105.19 102.71 2ddi n GLY 42 Ca 0.11 0.00 -0.07 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 -1.66 0.00 -1.15 0.00 4.71 -1.26 -4.89 120.64 116.38 2ddi n GLU 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2ddi n GLU 44 Cb 0.16 -0.90 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 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 1.17 1.38 3.99 0.62 0.00 -1.26 -4.01 105.19 107.09 2ddi n GLY 45 Ca 0.13 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.35 4.78 0.03 1.61 0.01 -1.26 -5.00 114.94 114.76 2ddi s ASN 46 Ca 0.00 -0.29 0.27 0.00 -0.71 0.00 0.00 52.86 52.14 2ddi s ASN 46 Cb 0.00 -0.30 0.95 0.00 0.41 0.00 0.00 41.25 42.30 2ddi s ASN 46 CO 0.00 -1.53 1.74 0.61 -1.51 0.00 0.00 177.10 176.41 2ddi n GLY 47 N -2.58 -1.46 3.58 0.66 0.00 -1.26 -4.48 105.19 99.65 2ddi n GLY 47 Ca 0.12 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2ddi n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ddi s ASN 48 N -3.28 5.62 -0.18 1.61 3.84 -1.26 -4.74 114.94 116.56 2ddi s ASN 48 Ca 0.12 -1.80 -0.04 0.00 0.21 0.00 0.00 52.86 51.35 2ddi s ASN 48 Cb 0.17 -2.58 0.08 0.00 -0.55 0.00 0.00 41.25 38.38 2ddi s ASN 48 CO 0.59 -2.44 0.23 0.21 -2.79 0.00 0.00 177.10 172.90 2ddi s ASN 49 N 5.90 1.08 0.29 -4.21 3.84 -1.26 -4.69 114.94 115.88 2ddi s ASN 49 Ca 0.63 0.00 0.12 0.00 0.21 0.00 0.00 52.86 53.82 2ddi s ASN 49 Cb 0.00 0.46 -0.05 0.00 -0.55 0.00 0.00 41.25 41.11 2ddi s ASN 49 CO 0.10 -0.30 -0.18 -0.36 -2.79 0.00 0.00 177.10 173.57 2ddi s PHE 50 N 2.35 2.32 -0.16 0.43 0.08 0.92 -4.95 117.98 118.96 2ddi s PHE 50 Ca 0.06 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.97 2ddi s PHE 50 Cb -0.15 -1.06 -0.13 0.00 -0.57 0.00 0.00 43.02 41.12 2ddi s PHE 50 CO -0.11 0.70 0.82 0.72 -0.10 0.00 0.00 175.22 177.25 2ddi n HIS 51 N -0.65 0.65 -3.71 0.36 8.25 -1.26 -1.63 115.22 117.22 2ddi n HIS 51 Ca -0.05 0.19 -0.05 0.00 -0.26 0.00 0.00 57.72 57.55 2ddi n HIS 51 Cb 0.61 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 -5.14 -0.25 0.08 0.41 1.04 -1.26 -4.85 113.70 103.73 2ddi s SER 52 Ca -0.03 -0.35 -0.25 0.00 0.48 0.00 0.00 55.95 55.80 2ddi s SER 52 Cb 0.11 0.52 -0.16 0.00 0.10 0.00 0.00 66.02 66.59 2ddi s SER 52 CO 0.83 -0.94 1.67 -0.09 0.98 0.00 0.00 173.24 175.70 2ddi h ARG 53 N 2.00 -0.16 -0.16 4.02 9.65 -1.97 -2.54 114.38 125.22 2ddi h ARG 53 Ca -0.23 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2ddi h ARG 53 Cb 1.24 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.83 2ddi h ARG 53 CO 0.27 -0.07 -0.19 1.49 2.80 0.00 0.00 179.97 184.26 2ddi h GLU 54 N -0.22 -0.11 -0.32 0.20 4.22 -1.98 -0.56 114.58 115.80 2ddi h GLU 54 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 2ddi h GLU 54 Cb 0.17 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2ddi h GLU 54 CO 0.03 -0.08 0.17 0.66 -2.18 0.00 0.00 179.01 177.61 2ddi h SER 55 N -0.12 0.39 0.14 1.04 4.64 -1.95 0.01 113.55 117.70 2ddi h SER 55 Ca 0.03 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2ddi h SER 55 CO -0.22 0.32 -0.07 0.00 -0.87 0.00 0.00 176.83 176.00 2ddi h GLU 57 N -0.58 0.31 0.00 0.00 5.08 -0.64 0.88 114.58 119.62 2ddi h GLU 57 Ca -0.02 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2ddi h GLU 57 Cb 0.45 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ddi h GLU 57 CO 0.03 0.71 -0.55 0.22 -1.00 0.00 0.00 179.01 178.43 2ddi h ASP 58 N 0.25 0.00 -0.03 1.42 3.58 -1.07 -2.91 116.42 117.66 2ddi h ASP 58 Ca 0.02 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2ddi h ASP 58 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2ddi h ASP 58 CO 0.08 0.55 -0.09 0.00 -2.88 0.00 0.00 179.24 176.89 2ddi h ALA 59 N 1.45 0.06 -2.64 -0.78 0.00 -0.31 -3.41 119.26 113.63 2ddi h ALA 59 Ca -0.01 -0.34 -0.60 0.00 0.00 0.00 0.00 54.91 53.97 2ddi h ALA 59 Cb 1.09 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.48 2ddi h ALA 59 CO 0.07 -0.07 -0.84 0.00 0.00 0.00 0.00 179.25 178.41 2ddi n PRO 61 N 2.90 1.26 -1.77 0.00 -0.04 -1.10 -4.62 135.00 131.64 2ddi n PRO 61 Ca 0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2ddi n PRO 61 Cb 0.42 0.00 0.07 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 -0.58 0.00 -0.93 0.52 0.31 -1.26 -4.17 118.33 112.22 2ddi n VAL 62 Ca 0.00 -0.93 -0.41 0.00 -0.01 0.00 0.00 64.34 62.99 2ddi n VAL 62 Cb 0.00 -1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.23 0.00 -1.03 2.52 0.31 0.28 -4.28 118.33 113.90 2ddi n VAL 63 Ca 0.10 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.98 2ddi n VAL 63 Cb 0.35 -0.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 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 4.03 0.66 -4.37 4.52 2.03 -1.26 -4.76 116.55 117.39 2ddi n ASP 64 Ca 0.30 0.62 -0.39 0.00 0.52 0.00 0.00 54.79 55.84 2ddi n ASP 64 Cb -0.03 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.71 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 4.47 3.80 -0.95 -0.67 8.25 -1.26 -4.80 115.22 124.06 2ddi n HIS 65 Ca 0.33 -2.45 -0.15 0.00 -0.26 0.00 0.00 57.72 55.20 2ddi n HIS 65 Cb -0.03 -2.55 -0.14 0.00 1.12 0.00 0.00 29.99 28.38 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 9.42 0.02 -1.35 4.41 -0.00 -1.26 -4.60 115.22 121.85 2ddi n HIS 66 Ca 0.49 0.01 -0.41 0.00 -0.00 0.00 0.00 57.72 57.81 2ddi n HIS 66 Cb 0.45 -0.38 -0.13 0.00 -0.00 0.00 0.00 29.99 29.92 2ddi n HIS 66 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ddi n HIS 67 N 3.66 0.61 -1.58 4.41 8.25 -1.26 -4.72 115.22 124.59 2ddi n HIS 67 Ca 0.43 0.41 -0.50 0.00 -0.26 0.00 0.00 57.72 57.80 2ddi n HIS 67 Cb 0.09 -2.19 -0.05 0.00 1.12 0.00 0.00 29.99 28.96 2ddi n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddi n HIS 68 N 9.23 1.35 0.00 4.41 -0.00 -1.26 -4.90 115.22 124.05 2ddi n HIS 68 Ca 0.59 0.67 0.00 0.00 0.46 0.00 0.00 57.72 59.45 2ddi n HIS 68 Cb 0.02 -2.29 0.00 0.00 -0.12 0.00 0.00 29.99 27.59 2ddi n HIS 68 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ddi n HIS 69 N 1.88 0.00 0.72 1.57 8.25 -1.26 -5.29 115.22 121.08 2ddi n HIS 69 Ca 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 2ddi n HIS 69 Cb 0.22 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.67 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56