#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 2.10 0.15 0.62 0.00 -1.26 -4.95 120.51 117.17 2ddi n ALA 2 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.81 2ddi n ALA 2 Cb 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 19.45 19.27 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 0.05 0.00 -5.87 0.00 3.07 -2.02 -3.45 114.58 106.36 2ddi h GLU 3 Ca -0.04 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.23 2ddi h GLU 3 Cb 1.27 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.07 2ddi h GLU 3 CO -0.01 0.47 -0.57 0.00 -1.40 0.00 0.00 179.01 177.50 2ddi s ALA 4 N -3.15 3.32 0.30 3.43 0.00 -1.26 -5.04 121.76 119.36 2ddi s ALA 4 Ca 0.03 -2.12 0.02 0.00 0.00 0.00 0.00 51.96 49.89 2ddi s ALA 4 Cb 0.09 -0.21 0.58 0.00 0.00 0.00 0.00 23.12 23.57 2ddi s ALA 4 CO 0.73 -0.07 1.88 0.93 0.00 0.00 0.00 175.76 179.23 2ddi h GLU 5 N 1.67 0.95 -3.07 0.00 5.08 -2.01 -3.44 114.58 113.77 2ddi h GLU 5 Ca -0.43 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2ddi h GLU 5 Cb 1.25 -0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 2ddi h GLU 5 CO 0.72 0.63 0.04 0.12 -1.00 0.00 0.00 179.01 179.52 2ddi s PHE 6 N -5.89 -0.37 -0.30 4.33 5.36 -1.26 -5.10 117.98 114.75 2ddi s PHE 6 Ca -0.11 0.21 -0.02 0.00 -0.96 0.00 0.00 56.93 56.04 2ddi s PHE 6 Cb 0.21 0.37 0.19 0.00 -0.34 0.00 0.00 43.02 43.45 2ddi s PHE 6 CO 0.80 -0.72 0.64 0.99 -1.46 0.00 0.00 175.22 175.47 2ddi s THR 7 N -3.32 -0.94 -0.73 0.12 2.01 -1.26 -5.06 115.64 106.46 2ddi s THR 7 Ca -0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 2ddi s THR 7 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 2ddi s THR 7 CO -0.09 0.00 1.66 -0.62 -0.69 0.00 0.00 174.62 174.89 2ddi s ASP 8 N 2.87 5.62 0.40 3.53 -1.08 -1.26 -4.85 116.67 121.90 2ddi s ASP 8 Ca 0.19 -0.19 0.12 0.00 -0.52 0.00 0.00 52.55 52.15 2ddi s ASP 8 Cb -0.15 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 2ddi s ASP 8 CO -0.20 -2.19 1.91 0.00 0.52 0.00 0.00 175.17 175.21 2ddi h ALA 9 N 12.54 1.97 0.00 3.66 0.00 -1.93 -1.37 119.26 134.13 2ddi h ALA 9 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ddi h ALA 9 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ddi h ALA 9 CO 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 180.33 2ddi n VAL 11 N -2.39 0.63 -2.45 0.00 0.31 -0.54 -4.24 118.33 109.65 2ddi n VAL 11 Ca 0.01 -0.58 -0.35 0.00 -0.01 0.00 0.00 64.34 63.41 2ddi n VAL 11 Cb 0.22 -0.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 2ddi n VAL 11 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ddi s LEU 12 N -5.25 3.91 1.21 7.52 2.96 -0.41 -4.93 118.68 123.68 2ddi s LEU 12 Ca -0.03 2.05 -0.20 0.00 -0.22 0.00 0.00 54.13 55.73 2ddi s LEU 12 Cb 0.10 -4.44 0.29 0.00 0.50 0.00 0.00 46.19 42.64 2ddi s LEU 12 CO 0.83 -0.82 1.14 -2.16 -1.32 0.00 0.00 176.35 174.01 2ddi s PRO 13 N -3.01 -1.27 0.30 0.98 0.04 -1.26 -4.79 135.00 125.98 2ddi s PRO 13 Ca 0.66 -0.19 0.11 0.00 0.04 0.00 0.00 61.00 61.62 2ddi s PRO 13 Cb -0.21 -1.60 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2ddi s PRO 13 CO 0.25 -3.72 -0.16 0.00 0.04 0.00 0.00 177.00 173.41 2ddi s ALA 14 N -3.11 2.77 0.03 8.56 0.00 -1.26 -4.46 121.76 124.29 2ddi s ALA 14 Ca 0.72 -1.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2ddi s ALA 14 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2ddi s ALA 14 CO 0.56 0.20 -0.03 0.08 0.00 0.00 0.00 175.76 176.57 2ddi s VAL 15 N -2.57 0.14 -0.02 0.00 1.01 -1.26 -4.91 120.40 112.78 2ddi s VAL 15 Ca 0.30 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2ddi s VAL 15 Cb -0.02 -0.64 -0.23 0.00 0.00 0.00 0.00 36.38 35.48 2ddi s VAL 15 CO 0.15 -0.64 0.75 1.56 0.00 0.00 0.00 175.10 176.92 2ddi h GLN 16 N 4.19 0.05 0.00 2.72 4.20 -1.79 -3.42 115.11 121.06 2ddi h GLN 16 Ca -0.33 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2ddi h GLN 16 Cb 1.19 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2ddi h GLN 16 CO 0.48 0.70 0.00 0.41 -0.67 0.00 0.00 178.83 179.75 2ddi n GLY 17 N 1.57 -1.30 0.22 3.46 0.00 -0.94 -1.58 105.19 106.61 2ddi n GLY 17 Ca -0.16 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 -7.27 1.61 0.13 -1.91 -3.45 132.00 121.10 2ddi h PRO 18 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2ddi h PRO 18 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 2ddi h PRO 18 CO 0.00 0.27 0.30 0.00 -0.23 0.00 0.00 178.00 178.34 2ddi n ARG 20 N -3.59 1.11 -2.42 0.00 3.00 -1.26 -4.87 116.66 108.63 2ddi n ARG 20 Ca 0.11 -1.31 -0.33 0.00 -0.01 0.00 0.00 57.85 56.31 2ddi n ARG 20 Cb 0.52 -1.17 -0.03 0.00 0.00 0.00 0.00 32.46 31.78 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 -0.79 2.18 -0.27 -0.13 0.00 -1.26 -5.04 107.32 102.01 2ddi s GLY 21 Ca 0.12 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.15 2ddi s GLY 21 CO 0.11 0.59 0.01 -0.98 0.00 0.00 0.00 173.10 172.83 2ddi s TRP 22 N -2.45 2.38 -0.36 1.90 0.23 -1.26 -4.25 118.94 115.13 2ddi s TRP 22 Ca 0.61 -1.93 -0.18 0.00 -2.03 0.00 0.00 56.10 52.57 2ddi s TRP 22 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 33.47 31.55 2ddi s TRP 22 CO 0.28 -0.82 0.51 -2.00 0.96 0.00 0.00 176.95 175.87 2ddi s GLU 23 N 1.39 3.53 -0.31 4.98 2.56 0.17 -4.94 118.70 126.09 2ddi s GLU 23 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 54.97 54.45 2ddi s GLU 23 Cb -0.18 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.11 2ddi s GLU 23 CO -0.12 -0.69 1.35 -1.25 -0.56 0.00 0.00 175.26 173.99 2ddi s PRO 24 N 2.38 3.84 0.51 4.30 0.04 -1.26 -1.22 135.00 143.59 2ddi s PRO 24 Ca 0.18 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2ddi s PRO 24 Cb -0.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2ddi s PRO 24 CO 0.14 -1.22 0.20 1.03 0.04 0.00 0.00 177.00 177.19 2ddi s ARG 25 N 4.36 2.22 0.04 4.56 1.81 -0.61 -4.93 118.95 126.38 2ddi s ARG 25 Ca 0.59 -2.15 0.06 0.00 -1.72 0.00 0.00 55.73 52.51 2ddi s ARG 25 Cb -0.17 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 2ddi s ARG 25 CO 0.25 -0.42 -0.14 -1.58 -0.68 0.00 0.00 175.30 172.74 2ddi s TRP 26 N -2.79 2.68 0.01 -0.53 0.52 -0.68 -0.24 118.94 117.92 2ddi s TRP 26 Ca 0.24 -0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.19 2ddi s TRP 26 Cb 0.01 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2ddi s TRP 26 CO 0.14 0.31 -0.04 0.00 0.02 0.00 0.00 176.95 177.38 2ddi s ALA 27 N -0.98 0.24 0.06 0.98 0.00 -0.23 0.01 121.76 121.84 2ddi s ALA 27 Ca 0.16 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 2ddi s ALA 27 Cb -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2ddi s ALA 27 CO 0.07 -0.03 0.66 -0.47 0.00 0.00 0.00 175.76 175.99 2ddi s TYR 28 N -0.73 3.77 -0.25 0.00 6.14 -1.26 -1.16 117.35 123.86 2ddi s TYR 28 Ca -0.06 1.36 0.00 0.00 0.64 0.00 0.00 57.07 59.01 2ddi s TYR 28 Cb -0.05 -2.65 0.04 0.00 0.42 0.00 0.00 41.96 39.72 2ddi s TYR 28 CO -0.00 0.43 -0.09 -1.12 0.64 0.00 0.00 175.55 175.41 2ddi s SER 29 N -0.60 4.27 0.19 4.32 0.01 0.18 -4.73 113.70 117.35 2ddi s SER 29 Ca 0.33 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2ddi s SER 29 Cb -0.20 -1.61 0.11 0.00 0.21 0.00 0.00 66.02 64.53 2ddi s SER 29 CO 0.21 -0.15 1.47 1.55 0.41 0.00 0.00 173.24 176.72 2ddi h PRO 30 N 7.92 0.36 0.00 12.44 0.13 -1.82 -0.27 132.00 150.76 2ddi h PRO 30 Ca -0.28 -0.28 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2ddi h PRO 30 Cb 1.08 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ddi h PRO 30 CO 0.54 0.92 -0.01 -0.07 -0.23 0.00 0.00 178.00 179.14 2ddi h LEU 31 N 0.25 0.00 -0.73 1.56 3.38 -1.95 -0.35 115.31 117.48 2ddi h LEU 31 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ddi h LEU 31 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2ddi h LEU 31 CO 0.12 0.01 -0.53 0.18 0.09 0.00 0.00 178.44 178.31 2ddi n LEU 32 N -3.15 1.63 -3.95 1.67 4.77 -0.95 -4.98 117.00 112.04 2ddi n LEU 32 Ca -0.01 -0.70 -0.32 0.00 -0.03 0.00 0.00 56.01 54.95 2ddi n LEU 32 Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2ddi n LEU 32 CO 0.24 0.32 -0.03 1.67 -1.33 0.00 0.00 177.39 178.26 2ddi n GLN 33 N -0.39 -3.12 -3.72 3.23 7.27 -0.14 -4.90 117.38 115.61 2ddi n GLN 33 Ca 0.07 0.37 -0.08 0.00 0.07 0.00 0.00 57.00 57.43 2ddi n GLN 33 Cb 0.39 -5.09 -0.02 0.00 2.41 0.00 0.00 30.24 27.93 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 -6.64 1.57 0.05 3.69 0.74 -0.71 -5.01 119.66 113.35 2ddi s GLN 34 Ca 0.64 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 55.26 2ddi s GLN 34 Cb -0.35 0.58 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 2ddi s GLN 34 CO 0.79 -0.71 0.15 0.00 -0.55 0.00 0.00 175.29 174.96 2ddi s HIS 36 N -1.40 1.08 0.94 0.00 -3.43 -0.31 -4.96 115.29 107.20 2ddi s HIS 36 Ca 0.31 -0.54 -0.12 0.00 -0.80 0.00 0.00 55.06 53.91 2ddi s HIS 36 Cb -0.13 -0.60 0.16 0.00 -1.43 0.00 0.00 32.58 30.58 2ddi s HIS 36 CO 0.23 0.02 1.09 -1.25 -2.00 0.00 0.00 174.74 172.83 2ddi s PRO 37 N -2.14 0.89 0.19 -0.38 0.05 -1.26 -1.07 135.00 131.27 2ddi s PRO 37 Ca -0.00 0.77 -0.18 0.00 0.05 0.00 0.00 61.00 61.64 2ddi s PRO 37 Cb -0.07 -1.77 0.03 0.00 0.05 0.00 0.00 34.50 32.74 2ddi s PRO 37 CO 0.01 -2.48 0.51 -0.59 0.05 0.00 0.00 177.00 174.50 2ddi s PHE 38 N -2.90 -0.14 -0.20 0.56 -0.71 0.67 -4.74 117.98 110.52 2ddi s PHE 38 Ca 0.64 -0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 56.15 2ddi s PHE 38 Cb -0.19 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 2ddi s PHE 38 CO 0.58 -0.89 0.54 0.08 -1.34 0.00 0.00 175.22 174.19 2ddi s VAL 39 N -3.86 5.08 0.37 -2.49 1.01 -1.26 -1.58 120.40 117.67 2ddi s VAL 39 Ca 0.08 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.13 2ddi s VAL 39 Cb -0.01 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 2ddi s VAL 39 CO -0.04 0.16 0.00 -0.47 0.00 0.00 0.00 175.10 174.75 2ddi s TYR 40 N 1.73 2.32 0.00 5.22 5.04 -0.36 -4.11 117.35 127.19 2ddi s TYR 40 Ca 0.25 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2ddi s TYR 40 Cb -0.16 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.61 2ddi s TYR 40 CO 0.10 0.35 0.69 0.41 -1.34 0.00 0.00 175.55 175.75 2ddi n GLY 41 N -0.84 0.25 3.87 8.97 0.00 -0.62 -0.65 105.19 116.17 2ddi n GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.23 1.72 1.20 -0.02 0.00 -1.26 -4.75 105.19 101.84 2ddi n GLY 42 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.71 0.00 -3.82 0.00 4.71 -1.26 -4.72 120.64 112.84 2ddi n GLU 44 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.15 2ddi n GLU 44 Cb 0.20 -0.98 -0.00 0.00 -1.01 0.00 0.00 31.44 29.66 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 -0.26 -0.00 0.57 0.62 0.00 -1.26 -2.23 107.32 104.75 2ddi s GLY 45 Ca 0.60 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.07 2ddi s GLY 45 CO 0.42 0.34 0.79 -1.31 0.00 0.00 0.00 173.10 173.34 2ddi s ASN 46 N -3.05 5.17 0.00 1.64 0.01 -1.26 -4.95 114.94 112.50 2ddi s ASN 46 Ca 0.14 -0.11 0.17 0.00 -0.71 0.00 0.00 52.86 52.36 2ddi s ASN 46 Cb -0.04 -0.71 0.84 0.00 0.41 0.00 0.00 41.25 41.76 2ddi s ASN 46 CO 0.06 -1.22 1.53 0.61 -1.51 0.00 0.00 177.10 176.57 2ddi n GLY 47 N -2.38 -0.92 2.65 0.66 0.00 -1.26 -3.98 105.19 99.96 2ddi n GLY 47 Ca 0.09 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.79 -3.72 1.61 2.85 -1.26 -4.80 115.26 113.39 2ddi n ASN 48 Ca 0.07 -2.79 -0.26 0.00 -0.11 0.00 0.00 54.58 51.49 2ddi n ASN 48 Cb 0.16 -1.64 -0.17 0.00 1.24 0.00 0.00 39.78 39.37 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 2.98 2.39 0.29 1.20 3.84 -1.26 -4.50 114.94 119.89 2ddi s ASN 49 Ca 0.51 -0.56 0.10 0.00 0.21 0.00 0.00 52.86 53.12 2ddi s ASN 49 Cb 0.15 -0.48 -0.05 0.00 -0.55 0.00 0.00 41.25 40.32 2ddi s ASN 49 CO -0.08 -0.28 -0.04 -0.36 -2.79 0.00 0.00 177.10 173.55 2ddi s PHE 50 N 1.95 2.56 -0.16 0.43 0.08 0.10 -4.93 117.98 118.01 2ddi s PHE 50 Ca 0.01 -0.31 0.22 0.00 0.12 0.00 0.00 56.93 56.97 2ddi s PHE 50 Cb -0.15 -1.24 -0.12 0.00 -0.57 0.00 0.00 43.02 40.93 2ddi s PHE 50 CO -0.07 0.59 0.83 0.72 -0.10 0.00 0.00 175.22 177.19 2ddi n HIS 51 N -0.86 0.68 -3.64 0.36 8.25 -1.26 -1.68 115.22 117.07 2ddi n HIS 51 Ca -0.05 0.20 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2ddi n HIS 51 Cb 0.60 -0.85 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 -5.19 -0.32 0.10 0.41 1.04 -1.26 -4.87 113.70 103.61 2ddi s SER 52 Ca -0.03 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.93 2ddi s SER 52 Cb 0.11 0.52 -0.12 0.00 0.10 0.00 0.00 66.02 66.62 2ddi s SER 52 CO 0.83 -0.91 1.73 -0.09 0.98 0.00 0.00 173.24 175.78 2ddi h ARG 53 N 2.00 0.10 -0.03 4.02 9.65 -1.97 -2.71 114.38 125.43 2ddi h ARG 53 Ca -0.24 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.64 2ddi h ARG 53 Cb 1.25 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 2ddi h ARG 53 CO 0.29 0.10 -0.17 1.49 2.80 0.00 0.00 179.97 184.47 2ddi h GLU 54 N 0.08 -0.18 -0.52 0.20 4.81 -1.99 -1.69 114.58 115.28 2ddi h GLU 54 Ca 0.03 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2ddi h GLU 54 Cb 0.02 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2ddi h GLU 54 CO -0.01 -0.12 0.35 0.66 -0.73 0.00 0.00 179.01 179.16 2ddi h SER 55 N -0.19 0.34 0.23 1.04 4.64 -1.95 0.04 113.55 117.70 2ddi h SER 55 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.22 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2ddi h SER 55 CO -0.13 0.21 -0.11 0.00 -0.87 0.00 0.00 176.83 175.93 2ddi h GLU 57 N -0.68 0.35 0.00 0.00 5.08 -0.65 -1.69 114.58 116.99 2ddi h GLU 57 Ca -0.03 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2ddi h GLU 57 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ddi h GLU 57 CO 0.05 0.58 -0.33 0.22 -1.00 0.00 0.00 179.01 178.53 2ddi h ASP 58 N 0.31 0.00 -0.25 1.42 3.58 -1.06 -3.01 116.42 117.41 2ddi h ASP 58 Ca 0.05 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 2ddi h ASP 58 Cb 0.62 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2ddi h ASP 58 CO 0.04 0.33 -0.42 0.00 -2.88 0.00 0.00 179.24 176.32 2ddi h ALA 59 N 1.67 0.39 -2.62 -0.78 0.00 0.01 -3.35 119.26 114.57 2ddi h ALA 59 Ca -0.00 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 2ddi h ALA 59 Cb 1.05 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.38 2ddi h ALA 59 CO 0.04 0.50 -0.37 0.00 0.00 0.00 0.00 179.25 179.43 2ddi n PRO 61 N 1.57 -2.24 -4.39 0.00 -0.04 -1.14 -4.84 135.00 123.91 2ddi n PRO 61 Ca 0.24 -1.70 -0.22 0.00 -0.04 0.00 0.00 63.50 61.78 2ddi n PRO 61 Cb 0.37 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.13 0.27 0.23 0.52 1.01 -1.26 -5.11 120.40 112.93 2ddi s VAL 62 Ca 0.66 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 2ddi s VAL 62 Cb -0.05 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.77 2ddi s VAL 62 CO 0.49 0.00 1.07 0.52 0.00 0.00 0.00 175.10 177.18 2ddi n VAL 63 N -0.76 1.45 -1.44 2.92 0.31 -1.26 -4.62 118.33 114.93 2ddi n VAL 63 Ca 0.01 -0.36 -0.59 0.00 -0.01 0.00 0.00 64.34 63.38 2ddi n VAL 63 Cb 0.64 -0.89 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 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 1.66 1.33 0.15 4.52 2.03 -1.26 -4.84 116.55 120.14 2ddi n ASP 64 Ca 0.13 0.77 0.02 0.00 0.52 0.00 0.00 54.79 56.22 2ddi n ASP 64 Cb 0.28 -1.00 0.18 0.00 -0.72 0.00 0.00 41.12 39.86 2ddi n ASP 64 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2ddi h HIS 65 N 8.76 0.00 0.00 -0.67 3.86 -2.04 -2.70 115.15 122.35 2ddi h HIS 65 Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2ddi h HIS 65 Cb 1.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.85 2ddi h HIS 65 CO 0.89 0.53 0.00 0.72 0.86 0.00 0.00 177.93 180.93 2ddi n HIS 66 N -3.50 0.00 -0.85 2.45 8.25 -1.26 -4.92 115.22 115.38 2ddi n HIS 66 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2ddi n HIS 66 Cb 0.63 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.66 2ddi n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddi n HIS 67 N -0.58 0.79 0.62 4.41 1.44 -1.02 -4.78 115.22 116.11 2ddi n HIS 67 Ca 0.02 0.53 0.00 0.00 -2.01 0.00 0.00 57.72 56.26 2ddi n HIS 67 Cb 0.01 -1.57 0.00 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 0.00 176.34 175.11 2ddi n HIS 68 N 5.13 0.00 -4.16 -1.40 -0.00 -1.26 -4.70 115.22 108.83 2ddi n HIS 68 Ca 0.38 -0.34 -0.16 0.00 0.46 0.00 0.00 57.72 58.06 2ddi n HIS 68 Cb -0.03 -0.20 -0.06 0.00 -0.12 0.00 0.00 29.99 29.58 2ddi n HIS 68 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2ddi s HIS 69 N 0.36 1.30 -1.62 1.57 -3.43 -1.26 -5.31 115.29 106.90 2ddi s HIS 69 Ca 0.00 -1.41 0.00 0.00 -0.80 0.00 0.00 55.06 52.85 2ddi s HIS 69 Cb 0.00 -0.34 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 2ddi s HIS 69 CO 0.00 -0.99 0.40 0.72 -2.00 0.00 0.00 174.74 172.87