#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddi h ALA 2 N 0.00 0.63 0.00 0.62 0.00 -2.02 0.19 119.26 118.68 2ddi h ALA 2 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2ddi h ALA 2 Cb 0.00 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ddi h ALA 2 CO 0.00 -0.40 -0.11 0.93 0.00 0.00 0.00 179.25 179.67 2ddi h GLU 3 N 0.00 0.00 -0.01 0.00 5.08 -2.07 -3.18 114.58 114.40 2ddi h GLU 3 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2ddi h GLU 3 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ddi h GLU 3 CO -0.93 0.11 -0.50 0.00 -1.00 0.00 0.00 179.01 176.69 2ddi n ALA 4 N -2.23 3.57 -0.04 3.43 0.00 0.65 -4.57 120.51 121.32 2ddi n ALA 4 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 2ddi n ALA 4 Cb 0.26 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 1.53 0.66 -2.12 0.00 4.39 -1.49 -3.41 114.58 114.15 2ddi h GLU 5 Ca 0.00 -0.33 -0.19 0.00 0.34 0.00 0.00 59.36 59.18 2ddi h GLU 5 Cb 0.57 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.91 2ddi h GLU 5 CO 0.00 0.93 -0.51 0.12 -1.16 0.00 0.00 179.01 178.39 2ddi s PHE 6 N -4.32 -0.68 0.32 4.33 5.36 -1.26 -5.10 117.98 116.64 2ddi s PHE 6 Ca -0.08 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 56.63 2ddi s PHE 6 Cb 0.12 -0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.73 2ddi s PHE 6 CO 0.84 -0.66 0.36 0.99 -1.46 0.00 0.00 175.22 175.29 2ddi s THR 7 N 2.49 0.00 0.40 0.12 2.01 -1.26 -4.98 115.64 114.43 2ddi s THR 7 Ca 0.10 -1.80 -0.27 0.00 0.31 0.00 0.00 61.69 60.04 2ddi s THR 7 Cb -0.15 -2.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.70 2ddi s THR 7 CO -0.14 0.00 1.45 -0.67 -0.69 0.00 0.00 174.62 174.57 2ddi n ASP 8 N -1.34 3.53 0.00 3.53 -0.08 -1.26 -4.88 116.55 116.05 2ddi n ASP 8 Ca 0.04 1.18 0.22 0.00 -1.51 0.00 0.00 54.79 54.72 2ddi n ASP 8 Cb 0.62 -1.60 0.72 0.00 2.34 0.00 0.00 41.12 43.20 2ddi n ASP 8 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ddi h ALA 9 N 2.66 2.41 -0.27 -1.67 0.00 -1.94 -1.32 119.26 119.13 2ddi h ALA 9 Ca -0.50 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.47 2ddi h ALA 9 Cb 1.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2ddi h ALA 9 CO 0.63 -0.73 0.21 0.00 0.00 0.00 0.00 179.25 179.35 2ddi h VAL 11 N 0.00 1.63 -2.74 0.00 2.07 -1.52 -3.39 116.25 112.30 2ddi h VAL 11 Ca 0.13 -3.08 -0.53 0.00 0.82 0.00 0.00 66.70 64.05 2ddi h VAL 11 Cb 0.54 2.69 0.04 0.00 -1.52 0.00 0.00 31.29 33.04 2ddi h VAL 11 CO -0.00 0.88 0.95 -0.22 0.02 0.00 0.00 177.57 179.20 2ddi s LEU 12 N -6.99 4.37 0.74 2.57 2.96 -0.08 -4.79 118.68 117.46 2ddi s LEU 12 Ca -0.00 2.59 -0.16 0.00 -0.22 0.00 0.00 54.13 56.34 2ddi s LEU 12 Cb 0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2ddi s LEU 12 CO 0.82 -0.87 0.42 -2.65 -1.32 0.00 0.00 176.35 172.74 2ddi n PRO 13 N 4.73 0.22 -2.13 0.98 -0.02 -1.26 -4.72 135.00 132.79 2ddi n PRO 13 Ca 0.15 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 2ddi n PRO 13 Cb 0.39 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.11 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 3.08 0.03 3.55 0.00 -1.26 -4.82 121.76 120.37 2ddi s ALA 14 Ca 0.63 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.65 2ddi s ALA 14 Cb -0.34 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2ddi s ALA 14 CO 0.60 -0.46 -0.06 0.08 0.00 0.00 0.00 175.76 175.92 2ddi s VAL 15 N -2.91 0.40 -0.03 0.00 1.01 -1.26 -5.03 120.40 112.59 2ddi s VAL 15 Ca 0.57 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2ddi s VAL 15 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 2ddi s VAL 15 CO 0.43 -0.29 0.53 1.56 0.00 0.00 0.00 175.10 177.33 2ddi h GLN 16 N 4.92 -0.34 0.00 2.72 4.20 -1.92 -3.41 115.11 121.27 2ddi h GLN 16 Ca -0.33 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2ddi h GLN 16 Cb 1.20 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2ddi h GLN 16 CO 0.43 -0.23 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 2ddi n GLY 17 N 0.59 2.68 0.11 3.46 0.00 -1.26 -0.27 105.19 110.50 2ddi n GLY 17 Ca -0.04 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.33 0.25 -1.02 1.61 -0.04 -1.26 -4.87 135.00 128.35 2ddi n PRO 18 Ca 0.00 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 2ddi n PRO 18 Cb 0.00 -1.82 0.17 0.00 -0.04 0.00 0.00 33.50 31.81 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 -3.61 0.33 -2.75 0.00 3.00 -1.26 -4.98 116.66 107.37 2ddi n ARG 20 Ca 0.12 -0.62 -0.31 0.00 -0.01 0.00 0.00 57.85 57.02 2ddi n ARG 20 Cb 0.43 -0.81 -0.04 0.00 0.00 0.00 0.00 32.46 32.04 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 -0.24 2.04 -0.06 -0.13 0.00 -1.26 -5.08 107.32 102.59 2ddi s GLY 21 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.68 2ddi s GLY 21 CO 0.00 0.17 -0.06 -0.98 0.00 0.00 0.00 173.10 172.23 2ddi s TRP 22 N -2.40 1.00 -0.19 1.90 0.23 -1.26 -4.31 118.94 113.90 2ddi s TRP 22 Ca 0.54 -0.34 0.00 0.00 -2.03 0.00 0.00 56.10 54.27 2ddi s TRP 22 Cb -0.10 -0.84 0.04 0.00 0.03 0.00 0.00 33.47 32.61 2ddi s TRP 22 CO 0.29 -0.26 -0.08 -2.00 0.96 0.00 0.00 176.95 175.86 2ddi s GLU 23 N 1.02 1.81 0.17 4.98 2.56 0.24 -4.99 118.70 124.49 2ddi s GLU 23 Ca -0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 54.97 53.81 2ddi s GLU 23 Cb -0.14 -2.31 -0.09 0.00 2.00 0.00 0.00 34.13 33.59 2ddi s GLU 23 CO -0.00 -0.45 1.41 -1.25 -0.56 0.00 0.00 175.26 174.41 2ddi s PRO 24 N 1.47 4.31 0.34 4.30 0.04 -1.26 -1.05 135.00 143.14 2ddi s PRO 24 Ca -0.01 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2ddi s PRO 24 Cb -0.16 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2ddi s PRO 24 CO -0.08 -0.42 0.15 1.03 0.04 0.00 0.00 177.00 177.73 2ddi s ARG 25 N 0.53 1.71 0.03 4.56 1.81 -0.66 -4.91 118.95 122.01 2ddi s ARG 25 Ca 0.63 -1.99 0.09 0.00 -1.72 0.00 0.00 55.73 52.73 2ddi s ARG 25 Cb -0.39 -0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.83 2ddi s ARG 25 CO 0.35 -0.46 -0.25 -1.58 -0.68 0.00 0.00 175.30 172.68 2ddi s TRP 26 N -3.46 2.22 0.01 -0.53 0.52 0.34 -0.21 118.94 117.82 2ddi s TRP 26 Ca 0.33 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.06 2ddi s TRP 26 Cb 0.04 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 2ddi s TRP 26 CO 0.17 0.08 -0.06 0.00 0.02 0.00 0.00 176.95 177.16 2ddi s ALA 27 N -0.75 0.50 0.20 0.98 0.00 -0.29 -0.76 121.76 121.64 2ddi s ALA 27 Ca 0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 2ddi s ALA 27 Cb -0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2ddi s ALA 27 CO 0.01 0.06 0.99 -0.47 0.00 0.00 0.00 175.76 176.36 2ddi s TYR 28 N -0.63 3.83 -0.25 0.00 5.04 -1.26 -1.05 117.35 123.02 2ddi s TYR 28 Ca -0.03 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2ddi s TYR 28 Cb -0.05 -3.09 0.04 0.00 0.35 0.00 0.00 41.96 39.21 2ddi s TYR 28 CO 0.00 0.09 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.09 2ddi s SER 29 N -0.67 4.28 0.26 4.32 0.01 0.40 -4.73 113.70 117.56 2ddi s SER 29 Ca 0.44 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2ddi s SER 29 Cb -0.27 -1.61 0.33 0.00 0.21 0.00 0.00 66.02 64.68 2ddi s SER 29 CO 0.33 -0.15 1.70 1.55 0.41 0.00 0.00 173.24 177.09 2ddi h PRO 30 N 7.93 0.64 0.00 12.44 0.13 -1.81 0.04 132.00 151.36 2ddi h PRO 30 Ca -0.29 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2ddi h PRO 30 Cb 1.08 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ddi h PRO 30 CO 0.54 0.79 0.00 -0.07 -0.23 0.00 0.00 178.00 179.03 2ddi h LEU 31 N 0.57 0.00 -0.95 1.56 3.38 -1.95 -0.49 115.31 117.43 2ddi h LEU 31 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 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 -0.29 0.18 0.09 0.00 0.00 178.44 178.47 2ddi n LEU 32 N -2.64 1.66 -2.89 1.67 4.77 -0.91 -4.99 117.00 113.67 2ddi n LEU 32 Ca 0.00 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 55.04 2ddi n LEU 32 Cb 0.19 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2ddi n LEU 32 CO 0.20 0.32 -0.08 1.67 -1.33 0.00 0.00 177.39 178.17 2ddi n GLN 33 N -0.03 -2.78 -3.74 3.23 7.27 -0.08 -4.88 117.38 116.37 2ddi n GLN 33 Ca 0.07 0.42 -0.04 0.00 0.07 0.00 0.00 57.00 57.52 2ddi n GLN 33 Cb 0.33 -5.05 -0.01 0.00 2.41 0.00 0.00 30.24 27.92 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 -5.49 1.20 0.14 3.69 2.00 -0.72 -4.94 119.66 115.53 2ddi s GLN 34 Ca 0.19 -0.65 -0.05 0.00 -2.00 0.00 0.00 55.36 52.84 2ddi s GLN 34 Cb -0.10 0.42 -0.06 0.00 0.80 0.00 0.00 33.01 34.07 2ddi s GLN 34 CO 0.23 -0.55 0.38 0.00 -0.50 0.00 0.00 175.29 174.85 2ddi s HIS 36 N -1.63 0.52 1.00 0.00 -3.43 -0.22 -4.94 115.29 106.59 2ddi s HIS 36 Ca 0.40 -0.73 -0.11 0.00 -0.80 0.00 0.00 55.06 53.81 2ddi s HIS 36 Cb -0.12 -0.34 0.19 0.00 -1.43 0.00 0.00 32.58 30.88 2ddi s HIS 36 CO 0.24 -0.21 1.09 -2.14 -2.00 0.00 0.00 174.74 171.71 2ddi s PRO 37 N -2.53 0.41 0.17 -0.38 0.02 -1.26 -1.14 135.00 130.28 2ddi s PRO 37 Ca -0.04 1.07 -0.24 0.00 0.02 0.00 0.00 61.00 61.82 2ddi s PRO 37 Cb -0.03 -1.69 0.06 0.00 0.02 0.00 0.00 34.50 32.86 2ddi s PRO 37 CO -0.04 -2.89 0.73 -0.59 -0.33 0.00 0.00 177.00 173.88 2ddi s PHE 38 N -2.67 -0.35 -0.37 6.54 -0.71 0.70 -4.78 117.98 116.35 2ddi s PHE 38 Ca 0.66 0.07 -0.21 0.00 -1.04 0.00 0.00 56.93 56.41 2ddi s PHE 38 Cb -0.22 0.61 0.01 0.00 -1.21 0.00 0.00 43.02 42.21 2ddi s PHE 38 CO 0.60 -0.91 0.67 0.08 -1.34 0.00 0.00 175.22 174.33 2ddi s VAL 39 N -3.63 4.84 0.25 -2.49 1.01 -1.26 -1.65 120.40 117.47 2ddi s VAL 39 Ca 0.06 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2ddi s VAL 39 Cb -0.02 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2ddi s VAL 39 CO -0.04 -0.39 0.20 -0.47 0.00 0.00 0.00 175.10 174.40 2ddi s TYR 40 N 2.83 3.12 -2.87 5.22 5.04 -0.21 -4.34 117.35 126.14 2ddi s TYR 40 Ca 0.26 -0.10 0.24 0.00 -2.44 0.00 0.00 57.07 55.03 2ddi s TYR 40 Cb -0.14 -1.41 0.30 0.00 0.35 0.00 0.00 41.96 41.06 2ddi s TYR 40 CO 0.16 0.52 1.32 0.41 -1.34 0.00 0.00 175.55 176.62 2ddi n GLY 41 N -1.16 1.05 4.18 8.97 0.00 0.63 -0.59 105.19 118.28 2ddi n GLY 41 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.36 1.97 1.11 -0.02 0.00 -1.26 -4.52 105.19 103.83 2ddi n GLY 42 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.50 0.00 -1.60 0.00 4.71 -1.26 -4.87 120.64 116.12 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 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 0.96 3.99 0.62 0.00 -1.26 -3.99 105.19 106.66 2ddi n GLY 45 Ca 0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.91 4.84 0.08 1.61 0.01 -1.26 -5.00 114.94 114.29 2ddi s ASN 46 Ca 0.00 -0.26 0.28 0.00 -0.71 0.00 0.00 52.86 52.17 2ddi s ASN 46 Cb 0.00 -0.36 1.01 0.00 0.41 0.00 0.00 41.25 42.31 2ddi s ASN 46 CO 0.00 -1.49 1.82 0.61 -1.51 0.00 0.00 177.10 176.53 2ddi n GLY 47 N -2.55 -1.55 3.10 0.66 0.00 -1.26 -4.25 105.19 99.34 2ddi n GLY 47 Ca 0.12 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.79 4.09 -3.63 1.61 2.85 -1.26 -4.83 115.26 112.29 2ddi n ASN 48 Ca 0.06 -2.85 -0.24 0.00 -0.11 0.00 0.00 54.58 51.44 2ddi n ASN 48 Cb 0.37 -1.65 -0.17 0.00 1.24 0.00 0.00 39.78 39.57 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 3.88 2.00 0.10 1.20 3.84 -1.26 -4.58 114.94 120.12 2ddi s ASN 49 Ca 0.51 -0.41 0.07 0.00 0.21 0.00 0.00 52.86 53.24 2ddi s ASN 49 Cb 0.10 -0.23 -0.03 0.00 -0.55 0.00 0.00 41.25 40.54 2ddi s ASN 49 CO -0.00 -0.32 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.46 2ddi s PHE 50 N 2.14 1.49 -1.62 0.43 0.08 0.06 -4.95 117.98 115.62 2ddi s PHE 50 Ca 0.03 -0.46 0.25 0.00 0.12 0.00 0.00 56.93 56.87 2ddi s PHE 50 Cb -0.15 -0.82 0.44 0.00 -0.57 0.00 0.00 43.02 41.93 2ddi s PHE 50 CO -0.07 0.14 1.37 0.72 -0.10 0.00 0.00 175.22 177.28 2ddi n HIS 51 N 1.04 0.00 -3.78 0.36 8.25 -1.26 -0.51 115.22 119.32 2ddi n HIS 51 Ca -0.19 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.23 2ddi n HIS 51 Cb 0.54 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.63 -0.18 0.14 0.41 1.04 -1.26 -4.85 113.70 106.37 2ddi s SER 52 Ca 0.19 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 2ddi s SER 52 Cb 0.18 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.79 2ddi s SER 52 CO 0.60 -1.01 1.45 -0.09 0.98 0.00 0.00 173.24 175.17 2ddi h ARG 53 N 2.00 0.91 -0.40 4.02 2.43 -1.97 -3.13 114.38 118.24 2ddi h ARG 53 Ca -0.23 -0.52 0.04 0.00 -0.81 0.00 0.00 59.98 58.46 2ddi h ARG 53 Cb 1.23 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 2ddi h ARG 53 CO 0.25 1.16 -0.23 -1.91 -1.51 0.00 0.00 179.97 177.73 2ddi n GLU 54 N -4.04 -0.17 -0.05 0.20 0.00 -1.26 -0.11 120.64 115.21 2ddi n GLU 54 Ca -0.03 1.18 0.10 0.00 0.00 0.00 0.00 57.16 58.41 2ddi n GLU 54 Cb 0.58 -1.76 0.49 0.00 0.00 0.00 0.00 31.44 30.75 2ddi n GLU 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2ddi h SER 55 N 0.00 0.38 -0.02 4.31 4.64 -1.96 0.12 113.55 121.02 2ddi h SER 55 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2ddi h SER 55 Cb 0.16 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2ddi h SER 55 CO -0.37 0.24 -0.32 0.00 -0.87 0.00 0.00 176.83 175.51 2ddi h GLU 57 N -0.36 0.39 -0.44 0.00 5.08 -0.21 0.05 114.58 119.09 2ddi h GLU 57 Ca -0.03 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 2ddi h GLU 57 Cb 1.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2ddi h GLU 57 CO 0.06 0.57 -0.18 0.22 -1.00 0.00 0.00 179.01 178.68 2ddi h ASP 58 N 0.36 0.87 0.75 1.42 3.58 -0.78 -2.46 116.42 120.16 2ddi h ASP 58 Ca 0.06 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 2ddi h ASP 58 Cb 0.55 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.37 2ddi h ASP 58 CO 0.04 1.04 -0.36 0.00 -2.88 0.00 0.00 179.24 177.08 2ddi h ALA 59 N 1.03 -1.06 -3.16 -0.78 0.00 -0.58 -3.42 119.26 111.30 2ddi h ALA 59 Ca 0.11 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 54.18 2ddi h ALA 59 Cb 0.71 0.39 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 2ddi h ALA 59 CO 0.05 -0.98 -0.72 0.00 0.00 0.00 0.00 179.25 177.60 2ddi n PRO 61 N 3.73 -0.48 -2.65 0.00 -0.04 -0.93 -4.49 135.00 130.14 2ddi n PRO 61 Ca 0.06 -0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.12 2ddi n PRO 61 Cb 0.36 -0.13 0.10 0.00 -0.04 0.00 0.00 33.50 33.79 2ddi n PRO 61 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ddi s VAL 62 N -1.22 2.19 0.09 0.52 1.01 -1.26 -4.98 120.40 116.75 2ddi s VAL 62 Ca 0.06 -0.66 -0.35 0.00 0.00 0.00 0.00 61.98 61.04 2ddi s VAL 62 Cb -0.00 -2.53 -0.15 0.00 0.00 0.00 0.00 36.38 33.70 2ddi s VAL 62 CO 0.05 0.00 1.53 0.52 0.00 0.00 0.00 175.10 177.20 2ddi n VAL 63 N -2.71 0.06 -1.83 2.92 0.31 -1.26 -4.83 118.33 110.99 2ddi n VAL 63 Ca 0.14 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 64.09 2ddi n VAL 63 Cb 0.61 -1.31 0.05 0.00 -0.91 0.00 0.00 33.84 32.27 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 1.16 5.00 0.00 4.52 2.15 -1.26 -4.95 116.67 123.29 2ddi s ASP 64 Ca 0.83 2.61 0.00 0.00 0.43 0.00 0.00 52.55 56.42 2ddi s ASP 64 Cb -0.79 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.21 2ddi s ASP 64 CO 0.43 -1.74 0.00 1.41 -0.17 0.00 0.00 175.17 175.10 2ddi n HIS 65 N -1.50 0.00 0.00 -5.34 8.25 -1.26 -5.00 115.22 110.36 2ddi n HIS 65 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2ddi n HIS 65 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -0.62 0.00 -4.29 4.41 1.44 -1.26 -5.20 115.22 109.69 2ddi n HIS 66 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 2ddi n HIS 66 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2ddi n HIS 66 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ddi s HIS 67 N 0.00 2.57 -0.30 -1.40 -3.43 -1.26 -5.07 115.29 106.40 2ddi s HIS 67 Ca 0.00 -0.56 0.19 0.00 -0.80 0.00 0.00 55.06 53.90 2ddi s HIS 67 Cb 0.00 -1.78 0.47 0.00 -1.43 0.00 0.00 32.58 29.85 2ddi s HIS 67 CO 0.00 0.33 1.08 -2.39 -2.00 0.00 0.00 174.74 171.76 2ddi n HIS 68 N -1.10 0.75 -3.10 0.38 1.44 -1.26 -5.08 115.22 107.26 2ddi n HIS 68 Ca -0.03 -2.41 0.00 0.00 -2.01 0.00 0.00 57.72 53.27 2ddi n HIS 68 Cb 0.64 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.68 2ddi n HIS 68 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2ddi n HIS 69 N -0.40 -0.64 0.00 -1.40 -0.00 -1.26 -5.31 115.22 106.22 2ddi n HIS 69 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2ddi n HIS 69 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.81 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92