#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 0.10 -1.84 0.00 -1.26 -5.04 120.51 112.47 2ddi n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2ddi n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.26 -2.59 0.00 3.07 -2.03 -3.28 114.58 109.49 2ddi h GLU 3 Ca 0.00 0.02 -0.60 0.00 -0.50 0.00 0.00 59.36 58.27 2ddi h GLU 3 Cb 0.00 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 27.90 2ddi h GLU 3 CO 0.00 -0.18 2.28 0.00 -1.40 0.00 0.00 179.01 179.71 2ddi n ALA 4 N -2.23 6.99 -1.17 3.43 0.00 -1.26 -4.33 120.51 121.95 2ddi n ALA 4 Ca -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 49.99 2ddi n ALA 4 Cb 0.11 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 2.40 0.00 -3.63 0.00 1.02 -1.24 -5.03 120.64 114.17 2ddi n GLU 5 Ca 0.64 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.66 2ddi n GLU 5 Cb 0.38 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.73 2ddi n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2ddi s PHE 6 N 0.00 -0.67 -0.22 -0.32 2.19 -1.25 -5.16 117.98 112.54 2ddi s PHE 6 Ca 0.00 1.63 -0.16 0.00 0.33 0.00 0.00 56.93 58.74 2ddi s PHE 6 Cb 0.00 0.31 0.06 0.00 -1.31 0.00 0.00 43.02 42.08 2ddi s PHE 6 CO 0.00 -0.33 0.56 0.99 1.83 0.00 0.00 175.22 178.28 2ddi s THR 7 N 0.30 -0.01 0.36 0.12 2.01 -1.26 -4.93 115.64 112.22 2ddi s THR 7 Ca 0.01 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.13 2ddi s THR 7 Cb -0.05 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 2ddi s THR 7 CO -0.02 0.01 -0.07 -0.62 -0.69 0.00 0.00 174.62 173.23 2ddi s ASP 8 N 1.07 3.75 0.38 3.53 2.15 -1.26 -5.04 116.67 121.25 2ddi s ASP 8 Ca -0.06 -1.23 0.14 0.00 0.43 0.00 0.00 52.55 51.83 2ddi s ASP 8 Cb -0.06 -0.36 0.98 0.00 -0.30 0.00 0.00 42.92 43.19 2ddi s ASP 8 CO -0.10 -0.26 1.83 0.00 -0.17 0.00 0.00 175.17 176.47 2ddi h ALA 9 N 1.97 2.06 0.00 3.66 0.00 -1.94 -1.42 119.26 123.59 2ddi h ALA 9 Ca -0.42 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ddi h ALA 9 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ddi h ALA 9 CO 0.73 -0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 2ddi h VAL 11 N 0.00 1.53 -3.57 0.00 2.07 -1.55 -3.39 116.25 111.34 2ddi h VAL 11 Ca -0.00 -3.25 -0.52 0.00 0.82 0.00 0.00 66.70 63.75 2ddi h VAL 11 Cb 0.15 2.79 0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2ddi h VAL 11 CO 0.00 0.89 0.66 -0.22 0.02 0.00 0.00 177.57 178.91 2ddi s LEU 12 N -6.68 4.42 0.94 2.57 2.96 -0.03 -4.73 118.68 118.15 2ddi s LEU 12 Ca -0.01 2.53 -0.12 0.00 -0.22 0.00 0.00 54.13 56.32 2ddi s LEU 12 Cb 0.09 -3.63 0.16 0.00 0.50 0.00 0.00 46.19 43.31 2ddi s LEU 12 CO 0.83 -0.53 1.09 -2.16 -1.32 0.00 0.00 176.35 174.25 2ddi s PRO 13 N -0.80 0.86 0.60 0.98 0.04 -1.26 -4.76 135.00 130.66 2ddi s PRO 13 Ca 0.54 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 2ddi s PRO 13 Cb -0.38 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2ddi s PRO 13 CO 0.44 -2.51 1.04 0.00 0.04 0.00 0.00 177.00 176.01 2ddi s ALA 14 N -2.89 2.86 0.00 8.56 0.00 -1.26 -4.75 121.76 124.29 2ddi s ALA 14 Ca 0.64 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 2ddi s ALA 14 Cb -0.19 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2ddi s ALA 14 CO 0.58 -0.74 0.03 0.08 0.00 0.00 0.00 175.76 175.71 2ddi s VAL 15 N -2.74 0.07 -0.01 0.00 1.01 -1.26 -5.01 120.40 112.46 2ddi s VAL 15 Ca 0.60 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2ddi s VAL 15 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2ddi s VAL 15 CO 0.42 -0.33 0.45 1.56 0.00 0.00 0.00 175.10 177.20 2ddi h GLN 16 N 4.95 -0.13 0.00 2.72 4.20 -1.91 -3.41 115.11 121.53 2ddi h GLN 16 Ca -0.30 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2ddi h GLN 16 Cb 1.21 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2ddi h GLN 16 CO 0.43 -0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 2ddi n GLY 17 N 0.70 1.47 0.18 3.46 0.00 -1.25 -0.62 105.19 109.12 2ddi n GLY 17 Ca -0.02 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 1.61 0.13 -1.91 -3.46 132.00 128.37 2ddi h PRO 18 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 2ddi h PRO 18 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2ddi h PRO 18 CO 0.00 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 177.95 2ddi n ARG 20 N -3.76 0.26 -2.33 0.00 1.74 -1.26 -4.99 116.66 106.32 2ddi n ARG 20 Ca 0.12 -0.54 -0.32 0.00 -0.77 0.00 0.00 57.85 56.34 2ddi n ARG 20 Cb 0.45 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 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 2.13 -0.09 -0.13 0.00 -1.26 -5.06 107.32 102.72 2ddi s GLY 21 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.01 2ddi s GLY 21 CO 0.00 0.58 -0.08 -0.98 0.00 0.00 0.00 173.10 172.62 2ddi s TRP 22 N -2.50 1.34 -0.19 1.90 0.23 -1.26 -4.28 118.94 114.17 2ddi s TRP 22 Ca 0.61 -0.59 0.00 0.00 -2.03 0.00 0.00 56.10 54.10 2ddi s TRP 22 Cb -0.12 -1.10 0.04 0.00 0.03 0.00 0.00 33.47 32.32 2ddi s TRP 22 CO 0.31 -0.40 -0.08 -2.00 0.96 0.00 0.00 176.95 175.73 2ddi s GLU 23 N 1.37 1.83 0.06 4.98 2.56 0.05 -4.98 118.70 124.57 2ddi s GLU 23 Ca -0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 54.97 53.89 2ddi s GLU 23 Cb -0.14 -2.31 -0.08 0.00 2.00 0.00 0.00 34.13 33.61 2ddi s GLU 23 CO -0.04 -0.44 1.54 -1.25 -0.56 0.00 0.00 175.26 174.51 2ddi s PRO 24 N 1.46 4.24 0.38 4.30 0.04 -1.26 -0.61 135.00 143.55 2ddi s PRO 24 Ca -0.01 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.27 2ddi s PRO 24 Cb -0.16 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 2ddi s PRO 24 CO -0.08 -0.64 0.18 0.54 0.04 0.00 0.00 177.00 177.03 2ddi n ARG 25 N 5.22 0.53 -4.64 4.56 5.12 -0.56 -4.91 116.66 121.98 2ddi n ARG 25 Ca 0.14 -3.35 -0.25 0.00 -1.93 0.00 0.00 57.85 52.46 2ddi n ARG 25 Cb 0.41 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 -3.13 1.80 -0.01 -1.55 0.52 -0.43 -0.16 118.94 115.99 2ddi s TRP 26 Ca 0.25 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.96 2ddi s TRP 26 Cb 0.01 -1.08 -0.00 0.00 -1.15 0.00 0.00 33.47 31.25 2ddi s TRP 26 CO 0.18 0.09 0.06 0.00 0.02 0.00 0.00 176.95 177.30 2ddi s ALA 27 N -0.80 -0.14 0.24 0.98 0.00 -0.43 -0.22 121.76 121.38 2ddi s ALA 27 Ca 0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 2ddi s ALA 27 Cb -0.09 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 2ddi s ALA 27 CO 0.02 -0.12 1.00 -0.47 0.00 0.00 0.00 175.76 176.18 2ddi s TYR 28 N -0.78 3.84 -0.25 0.00 6.14 -1.26 -1.37 117.35 123.66 2ddi s TYR 28 Ca -0.09 1.83 -0.00 0.00 0.64 0.00 0.00 57.07 59.45 2ddi s TYR 28 Cb -0.05 -3.09 0.04 0.00 0.42 0.00 0.00 41.96 39.28 2ddi s TYR 28 CO 0.00 0.10 -0.08 -1.12 0.64 0.00 0.00 175.55 175.09 2ddi s SER 29 N -0.94 4.31 0.27 4.32 0.01 0.35 -4.75 113.70 117.27 2ddi s SER 29 Ca 0.43 -1.06 0.04 0.00 1.31 0.00 0.00 55.95 56.67 2ddi s SER 29 Cb -0.28 -1.62 0.39 0.00 0.21 0.00 0.00 66.02 64.72 2ddi s SER 29 CO 0.35 -0.15 1.68 1.55 0.41 0.00 0.00 173.24 177.07 2ddi h PRO 30 N 7.94 0.37 0.00 12.44 0.13 -1.83 0.14 132.00 151.20 2ddi h PRO 30 Ca -0.28 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ddi h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.69 0.00 -0.07 -0.23 0.00 0.00 178.00 178.94 2ddi h LEU 31 N 0.31 0.00 -0.75 1.56 3.38 -1.94 -1.35 115.31 116.52 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 0.00 178.44 178.60 2ddi n LEU 32 N -2.50 1.15 -3.19 1.67 4.77 -0.85 -5.00 117.00 113.04 2ddi n LEU 32 Ca -0.00 -0.78 -0.20 0.00 -0.03 0.00 0.00 56.01 55.00 2ddi n LEU 32 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2ddi n LEU 32 CO 0.17 0.23 -0.06 1.67 -1.33 0.00 0.00 177.39 178.08 2ddi n GLN 33 N -0.25 -2.95 -3.73 3.23 7.27 0.42 -4.90 117.38 116.47 2ddi n GLN 33 Ca 0.04 0.41 -0.07 0.00 0.07 0.00 0.00 57.00 57.44 2ddi n GLN 33 Cb 0.18 -5.06 -0.02 0.00 2.41 0.00 0.00 30.24 27.76 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 -5.82 1.47 0.14 3.69 0.74 -0.67 -4.85 119.66 114.36 2ddi s GLN 34 Ca 0.32 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.90 2ddi s GLN 34 Cb -0.17 0.53 -0.06 0.00 1.10 0.00 0.00 33.01 34.42 2ddi s GLN 34 CO 0.39 -0.67 0.40 0.00 -0.55 0.00 0.00 175.29 174.86 2ddi s HIS 36 N -1.62 0.39 0.86 0.00 -3.43 -0.47 -4.95 115.29 106.06 2ddi s HIS 36 Ca 0.40 -0.81 -0.11 0.00 -0.80 0.00 0.00 55.06 53.73 2ddi s HIS 36 Cb -0.12 -0.29 0.11 0.00 -1.43 0.00 0.00 32.58 30.84 2ddi s HIS 36 CO 0.23 -0.32 1.09 -1.25 -2.00 0.00 0.00 174.74 172.49 2ddi s PRO 37 N -2.96 1.58 0.22 -0.38 0.05 -1.26 -1.31 135.00 130.93 2ddi s PRO 37 Ca -0.02 0.94 -0.21 0.00 0.05 0.00 0.00 61.00 61.76 2ddi s PRO 37 Cb 0.01 -1.84 0.04 0.00 0.05 0.00 0.00 34.50 32.76 2ddi s PRO 37 CO -0.06 -2.05 0.62 -0.59 0.05 0.00 0.00 177.00 174.97 2ddi s PHE 38 N -2.92 -0.28 -0.32 0.56 -0.71 0.78 -4.81 117.98 110.28 2ddi s PHE 38 Ca 0.63 -0.07 -0.23 0.00 -1.04 0.00 0.00 56.93 56.22 2ddi s PHE 38 Cb -0.18 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 2ddi s PHE 38 CO 0.57 -1.02 0.75 0.08 -1.34 0.00 0.00 175.22 174.25 2ddi s VAL 39 N -3.85 4.81 0.29 -2.49 1.01 -1.26 -1.49 120.40 117.42 2ddi s VAL 39 Ca 0.07 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2ddi s VAL 39 Cb -0.03 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2ddi s VAL 39 CO -0.02 -0.27 0.31 -0.47 0.00 0.00 0.00 175.10 174.66 2ddi s TYR 40 N 2.91 3.11 -1.88 5.22 5.04 0.22 -4.32 117.35 127.65 2ddi s TYR 40 Ca 0.30 -0.18 0.17 0.00 -2.44 0.00 0.00 57.07 54.93 2ddi s TYR 40 Cb -0.14 -1.68 0.25 0.00 0.35 0.00 0.00 41.96 40.74 2ddi s TYR 40 CO 0.13 0.29 1.16 0.41 -1.34 0.00 0.00 175.55 176.20 2ddi n GLY 41 N -1.38 1.10 3.91 8.97 0.00 0.21 -0.77 105.19 117.23 2ddi n GLY 41 Ca -0.05 -0.52 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 0.99 2.40 1.08 -0.02 0.00 -1.26 -4.36 105.19 104.02 2ddi n GLY 42 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.72 0.00 -1.33 0.00 4.71 -1.26 -4.81 120.64 117.23 2ddi n GLU 44 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 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 1.37 3.99 0.62 0.00 -1.26 -3.89 105.19 107.17 2ddi n GLY 45 Ca 0.13 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.81 4.72 0.13 1.61 -0.87 -1.26 -5.01 114.94 113.46 2ddi s ASN 46 Ca 0.00 -0.31 0.25 0.00 -1.57 0.00 0.00 52.86 51.23 2ddi s ASN 46 Cb 0.00 -0.25 0.59 0.00 -0.02 0.00 0.00 41.25 41.58 2ddi s ASN 46 CO 0.00 -1.58 1.54 0.61 -2.57 0.00 0.00 177.10 175.10 2ddi n GLY 47 N -2.61 -1.51 3.20 0.66 0.00 -1.26 -4.30 105.19 99.37 2ddi n GLY 47 Ca 0.13 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.07 4.49 -3.53 1.61 5.15 -1.26 -4.81 115.26 114.84 2ddi n ASN 48 Ca 0.05 -2.89 -0.16 0.00 -0.60 0.00 0.00 54.58 50.98 2ddi n ASN 48 Cb 0.42 -1.70 -0.13 0.00 -0.53 0.00 0.00 39.78 37.84 2ddi n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddi s ASN 49 N 3.71 0.95 0.30 1.20 3.84 -1.26 -4.62 114.94 119.06 2ddi s ASN 49 Ca 0.51 0.07 0.09 0.00 0.21 0.00 0.00 52.86 53.74 2ddi s ASN 49 Cb 0.08 0.54 -0.06 0.00 -0.55 0.00 0.00 41.25 41.26 2ddi s ASN 49 CO 0.00 -0.30 -0.12 -0.36 -2.79 0.00 0.00 177.10 173.54 2ddi s PHE 50 N 2.37 2.19 -0.43 0.43 0.08 0.69 -4.93 117.98 118.39 2ddi s PHE 50 Ca 0.06 -0.51 0.23 0.00 0.12 0.00 0.00 56.93 56.83 2ddi s PHE 50 Cb -0.14 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 2ddi s PHE 50 CO -0.11 0.53 0.99 0.72 -0.10 0.00 0.00 175.22 177.24 2ddi n HIS 51 N -0.66 0.46 -3.81 0.36 8.25 -1.26 -1.32 115.22 117.25 2ddi n HIS 51 Ca -0.05 0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2ddi n HIS 51 Cb 0.62 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -4.45 -0.12 0.14 0.41 1.04 -1.26 -4.83 113.70 104.63 2ddi s SER 52 Ca 0.01 -0.63 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 2ddi s SER 52 Cb 0.13 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 2ddi s SER 52 CO 0.80 -1.13 1.78 -0.09 0.98 0.00 0.00 173.24 175.59 2ddi h ARG 53 N 2.00 0.34 -0.15 4.02 9.65 -1.97 -2.90 114.38 125.37 2ddi h ARG 53 Ca -0.25 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.62 2ddi h ARG 53 Cb 1.23 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 2ddi h ARG 53 CO 0.30 0.22 -0.16 1.49 2.80 0.00 0.00 179.97 184.62 2ddi h GLU 54 N 0.35 -0.09 -0.32 0.20 4.22 -1.98 -0.83 114.58 116.12 2ddi h GLU 54 Ca 0.11 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.56 2ddi h GLU 54 Cb -0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2ddi h GLU 54 CO -0.04 -0.06 0.22 0.66 -2.18 0.00 0.00 179.01 177.60 2ddi h SER 55 N -0.09 0.36 0.01 1.04 4.64 -1.94 0.17 113.55 117.74 2ddi h SER 55 Ca 0.03 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ddi h SER 55 Cb 0.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2ddi h SER 55 CO -0.19 0.26 -0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2ddi h GLU 57 N -0.52 0.32 -0.66 0.00 5.08 -0.61 -1.52 114.58 116.68 2ddi h GLU 57 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ddi h GLU 57 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2ddi h GLU 57 CO 0.00 0.70 0.42 0.22 -1.00 0.00 0.00 179.01 179.35 2ddi h ASP 58 N 0.27 0.77 -0.30 1.42 3.58 -0.69 0.70 116.42 122.17 2ddi h ASP 58 Ca 0.02 -0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 2ddi h ASP 58 Cb 0.87 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2ddi h ASP 58 CO 0.07 0.57 -0.45 0.00 -2.88 0.00 0.00 179.24 176.55 2ddi h ALA 59 N 1.56 0.57 -2.35 -0.78 0.00 -0.51 -3.38 119.26 114.37 2ddi h ALA 59 Ca 0.24 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 2ddi h ALA 59 Cb -0.07 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.21 2ddi h ALA 59 CO -0.05 0.68 -0.81 0.00 0.00 0.00 0.00 179.25 179.07 2ddi n PRO 61 N 1.62 1.99 -4.06 0.00 -0.04 0.19 -4.77 135.00 129.93 2ddi n PRO 61 Ca 0.25 -1.71 -0.10 0.00 -0.04 0.00 0.00 63.50 61.90 2ddi n PRO 61 Cb 0.45 -1.80 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.87 0.07 0.80 0.52 1.01 -1.26 -5.09 120.40 114.58 2ddi s VAL 62 Ca 0.42 -1.65 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 2ddi s VAL 62 Cb 0.29 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.74 2ddi s VAL 62 CO -0.08 -0.31 1.20 -0.69 0.00 0.00 0.00 175.10 175.22 2ddi s VAL 63 N -4.02 2.13 0.41 2.92 1.01 -1.26 -4.89 120.40 116.70 2ddi s VAL 63 Ca 0.22 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 2ddi s VAL 63 Cb 0.05 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 2ddi s VAL 63 CO 0.02 -0.04 1.35 -0.62 0.00 0.00 0.00 175.10 175.82 2ddi s ASP 64 N -2.19 6.21 0.00 3.32 2.15 -1.26 -4.83 116.67 120.07 2ddi s ASP 64 Ca 0.73 2.76 0.00 0.00 0.43 0.00 0.00 52.55 56.47 2ddi s ASP 64 Cb -0.28 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.69 2ddi s ASP 64 CO 0.50 -0.93 0.75 1.41 -0.17 0.00 0.00 175.17 176.73 2ddi n HIS 65 N 0.09 0.00 0.00 -5.34 8.25 -1.26 -4.28 115.22 112.68 2ddi n HIS 65 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2ddi n HIS 65 Cb 0.43 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2ddi n HIS 65 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddi n HIS 66 N -1.25 0.00 -0.72 4.41 -0.00 -1.26 -4.76 115.22 111.63 2ddi n HIS 66 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2ddi n HIS 66 Cb 0.10 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 30.23 2ddi n HIS 66 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ddi s HIS 67 N -1.41 0.24 0.13 1.57 5.04 -1.26 -5.09 115.29 114.51 2ddi s HIS 67 Ca 0.00 0.65 0.02 0.00 -1.54 0.00 0.00 55.06 54.19 2ddi s HIS 67 Cb 0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 32.58 29.45 2ddi s HIS 67 CO 0.00 -4.30 0.08 0.72 -2.34 0.00 0.00 174.74 168.90 2ddi n HIS 68 N -5.12 -0.11 0.09 3.88 8.25 -1.26 -5.01 115.22 115.93 2ddi n HIS 68 Ca 0.11 -0.97 0.05 0.00 -0.26 0.00 0.00 57.72 56.65 2ddi n HIS 68 Cb 0.59 0.05 0.25 0.00 1.12 0.00 0.00 29.99 32.00 2ddi n HIS 68 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddi n HIS 69 N -0.28 0.31 -1.07 4.41 8.25 -1.26 -5.17 115.22 120.41 2ddi n HIS 69 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2ddi n HIS 69 Cb 0.22 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.66 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56