#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj n ALA 2 N 0.00 0.00 0.07 4.31 0.00 -1.26 -4.90 120.51 118.73 2ddj n ALA 2 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2ddj n ALA 2 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2ddj n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 3 N 0.00 0.28 0.00 0.00 5.08 -2.00 -3.38 114.58 114.56 2ddj h GLU 3 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2ddj h GLU 3 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2ddj h GLU 3 CO 0.00 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 2ddj n ALA 4 N -2.48 0.94 -0.19 3.43 0.00 -1.26 -4.30 120.51 116.65 2ddj n ALA 4 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2ddj n ALA 4 Cb 0.67 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.25 2ddj n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 5 N 0.87 -0.02 -5.86 0.00 4.39 -1.93 -3.01 114.58 109.04 2ddj h GLU 5 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.11 2ddj h GLU 5 Cb 0.00 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.54 2ddj h GLU 5 CO 0.00 -0.01 0.91 0.12 -1.16 0.00 0.00 179.01 178.87 2ddj s PHE 6 N -6.22 2.54 -0.37 4.33 2.19 -1.26 -4.92 117.98 114.27 2ddj s PHE 6 Ca -0.14 -0.48 -0.33 0.00 0.33 0.00 0.00 56.93 56.30 2ddj s PHE 6 Cb 0.18 -4.48 -0.14 0.00 -1.31 0.00 0.00 43.02 37.26 2ddj s PHE 6 CO 0.73 -1.84 1.37 2.41 1.83 0.00 0.00 175.22 179.71 2ddj n THR 7 N 6.20 0.00 -1.59 0.12 -1.04 -1.14 -4.91 114.28 111.93 2ddj n THR 7 Ca 0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.72 2ddj n THR 7 Cb 0.48 -0.37 0.08 0.00 -1.82 0.00 0.00 70.33 68.71 2ddj n THR 7 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ddj s ASP 8 N 3.28 4.37 0.46 8.00 -1.08 -1.26 -4.86 116.67 125.59 2ddj s ASP 8 Ca 0.82 2.52 0.17 0.00 -0.52 0.00 0.00 52.55 55.55 2ddj s ASP 8 Cb -1.10 -2.61 1.14 0.00 -1.46 0.00 0.00 42.92 38.89 2ddj s ASP 8 CO 0.54 -2.16 1.99 0.00 0.52 0.00 0.00 175.17 176.06 2ddj h ALA 9 N 0.15 2.15 -0.97 3.66 0.00 -1.89 -0.41 119.26 121.95 2ddj h ALA 9 Ca -0.50 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.56 2ddj h ALA 9 Cb 1.32 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2ddj h ALA 9 CO 0.51 -0.29 0.61 0.00 0.00 0.00 0.00 179.25 180.09 2ddj n VAL 11 N -4.64 0.00 -4.25 0.00 0.31 -0.21 -4.42 118.33 105.11 2ddj n VAL 11 Ca 0.20 -0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 63.94 2ddj n VAL 11 Cb 0.47 1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 34.32 2ddj n VAL 11 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ddj s LEU 12 N -2.42 3.73 0.79 7.52 2.96 -0.74 -4.95 118.68 125.57 2ddj s LEU 12 Ca 0.22 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.19 2ddj s LEU 12 Cb 0.19 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.99 2ddj s LEU 12 CO 0.52 0.36 1.09 -2.16 -1.32 0.00 0.00 176.35 174.83 2ddj s PRO 13 N -1.11 2.17 -0.28 0.98 0.04 -1.26 -4.78 135.00 130.76 2ddj s PRO 13 Ca 0.16 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 2ddj s PRO 13 Cb -0.12 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2ddj s PRO 13 CO 0.05 -1.61 1.53 0.00 0.04 0.00 0.00 177.00 177.02 2ddj s ALA 14 N -3.05 3.22 -0.11 8.56 0.00 -1.26 -4.57 121.76 124.55 2ddj s ALA 14 Ca 0.61 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 2ddj s ALA 14 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2ddj s ALA 14 CO 0.55 -2.03 0.47 0.08 0.00 0.00 0.00 175.76 174.83 2ddj s VAL 15 N 5.21 5.17 -0.14 0.00 1.01 -1.26 -4.96 120.40 125.43 2ddj s VAL 15 Ca 0.67 0.94 0.19 0.00 0.00 0.00 0.00 61.98 63.78 2ddj s VAL 15 Cb -0.21 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.20 2ddj s VAL 15 CO 0.29 0.35 0.70 0.00 0.00 0.00 0.00 175.10 176.44 2ddj n GLN 16 N 3.49 0.63 -0.09 2.72 6.02 -1.26 -4.77 117.38 124.12 2ddj n GLN 16 Ca -0.08 0.10 0.01 0.00 -0.01 0.00 0.00 57.00 57.03 2ddj n GLN 16 Cb 0.52 -1.72 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 2ddj n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ddj n GLY 17 N 1.39 -2.13 0.00 1.08 0.00 -1.20 -0.63 105.19 103.70 2ddj n GLY 17 Ca -0.10 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.60 2ddj n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddj n PRO 18 N -2.52 0.60 -0.97 1.61 -0.04 -1.26 -4.80 135.00 127.63 2ddj n PRO 18 Ca -0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 2ddj n PRO 18 Cb 0.04 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.24 2ddj n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddj n ARG 20 N -4.72 0.28 -2.87 0.00 1.74 -1.26 -4.95 116.66 104.88 2ddj n ARG 20 Ca 0.14 -0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 56.36 2ddj n ARG 20 Cb 0.56 -0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddj s GLY 21 N -0.20 2.04 -0.26 -0.13 0.00 -1.26 -5.06 107.32 102.44 2ddj s GLY 21 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.62 2ddj s GLY 21 CO 0.00 0.09 -0.04 -0.98 0.00 0.00 0.00 173.10 172.17 2ddj s TRP 22 N -2.32 2.67 -0.28 1.90 0.23 -1.26 -4.14 118.94 115.75 2ddj s TRP 22 Ca 0.53 -2.02 -0.04 0.00 -2.03 0.00 0.00 56.10 52.54 2ddj s TRP 22 Cb -0.10 -1.83 0.02 0.00 0.03 0.00 0.00 33.47 31.59 2ddj s TRP 22 CO 0.28 -0.82 0.02 -2.00 0.96 0.00 0.00 176.95 175.39 2ddj s GLU 23 N 1.30 2.89 0.24 4.98 2.56 0.37 -4.96 118.70 126.07 2ddj s GLU 23 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 54.97 53.67 2ddj s GLU 23 Cb -0.19 -3.22 -0.09 0.00 2.00 0.00 0.00 34.13 32.63 2ddj s GLU 23 CO -0.08 -0.46 1.31 -1.25 -0.56 0.00 0.00 175.26 174.21 2ddj s PRO 24 N 1.40 4.39 0.36 4.30 0.04 -1.26 -1.33 135.00 142.90 2ddj s PRO 24 Ca 0.00 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2ddj s PRO 24 Cb -0.17 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2ddj s PRO 24 CO -0.00 -0.22 0.20 1.03 0.04 0.00 0.00 177.00 178.04 2ddj s ARG 25 N -0.57 1.79 -0.02 4.56 1.81 -0.54 -4.91 118.95 121.07 2ddj s ARG 25 Ca 0.54 -2.06 0.07 0.00 -1.72 0.00 0.00 55.73 52.57 2ddj s ARG 25 Cb -0.37 -0.12 -0.02 0.00 -0.45 0.00 0.00 34.95 33.99 2ddj s ARG 25 CO 0.42 -0.55 -0.24 -1.58 -0.68 0.00 0.00 175.30 172.67 2ddj s TRP 26 N -3.40 2.15 -0.00 -0.53 0.52 0.33 -0.13 118.94 117.88 2ddj s TRP 26 Ca 0.33 -0.41 -0.04 0.00 0.02 0.00 0.00 56.10 56.01 2ddj s TRP 26 Cb 0.03 -1.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.96 2ddj s TRP 26 CO 0.20 -0.04 0.07 0.00 0.02 0.00 0.00 176.95 177.20 2ddj s ALA 27 N -0.56 -0.14 0.20 0.98 0.00 -0.62 -0.36 121.76 121.25 2ddj s ALA 27 Ca 0.09 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 2ddj s ALA 27 Cb -0.09 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 2ddj s ALA 27 CO -0.01 -0.14 1.02 -0.47 0.00 0.00 0.00 175.76 176.16 2ddj s TYR 28 N -1.00 3.76 -0.25 0.00 5.04 -1.26 -1.67 117.35 121.97 2ddj s TYR 28 Ca -0.11 1.76 -0.00 0.00 -2.44 0.00 0.00 57.07 56.28 2ddj s TYR 28 Cb -0.06 -3.14 0.04 0.00 0.35 0.00 0.00 41.96 39.15 2ddj s TYR 28 CO 0.00 -0.09 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.92 2ddj s SER 29 N -0.54 4.30 0.32 4.32 0.01 -0.05 -4.72 113.70 117.33 2ddj s SER 29 Ca 0.45 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.72 2ddj s SER 29 Cb -0.27 -1.62 0.53 0.00 0.21 0.00 0.00 66.02 64.87 2ddj s SER 29 CO 0.34 -0.15 1.76 1.55 0.41 0.00 0.00 173.24 177.15 2ddj h PRO 30 N 7.93 0.27 0.00 12.44 0.13 -1.83 0.96 132.00 151.91 2ddj h PRO 30 Ca -0.28 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2ddj h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.16 2ddj n LEU 31 N -4.10 0.42 -0.11 1.56 4.77 -1.26 -1.25 117.00 117.03 2ddj n LEU 31 Ca -0.01 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2ddj n LEU 31 Cb 0.41 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2ddj n LEU 31 CO 0.41 -0.62 0.20 0.18 -1.33 0.00 0.00 177.39 176.23 2ddj n LEU 32 N -2.01 0.93 -2.11 2.23 4.77 -0.82 -5.00 117.00 114.99 2ddj n LEU 32 Ca 0.01 -0.81 -0.11 0.00 -0.03 0.00 0.00 56.01 55.07 2ddj n LEU 32 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2ddj n LEU 32 CO 0.13 0.20 -0.13 1.67 -1.33 0.00 0.00 177.39 177.93 2ddj n GLN 33 N -0.25 -2.00 -3.73 3.23 7.27 0.23 -4.89 117.38 117.25 2ddj n GLN 33 Ca 0.02 0.56 -0.07 0.00 0.07 0.00 0.00 57.00 57.58 2ddj n GLN 33 Cb 0.09 -5.04 -0.02 0.00 2.41 0.00 0.00 30.24 27.69 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddj s GLN 34 N -4.40 1.46 0.35 3.69 0.74 -0.61 -4.47 119.66 116.42 2ddj s GLN 34 Ca 0.00 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.54 2ddj s GLN 34 Cb 0.00 0.53 -0.07 0.00 1.10 0.00 0.00 33.01 34.57 2ddj s GLN 34 CO 0.00 -0.66 0.72 0.00 -0.55 0.00 0.00 175.29 174.79 2ddj s HIS 36 N -2.16 0.03 0.91 0.00 -3.43 -0.67 -4.94 115.29 105.03 2ddj s HIS 36 Ca 0.51 -0.27 -0.11 0.00 -0.80 0.00 0.00 55.06 54.40 2ddj s HIS 36 Cb -0.10 -0.00 0.14 0.00 -1.43 0.00 0.00 32.58 31.18 2ddj s HIS 36 CO 0.25 -0.47 1.11 -2.14 -2.00 0.00 0.00 174.74 171.50 2ddj s PRO 37 N -2.76 1.13 0.24 -0.38 0.02 -1.26 -1.59 135.00 130.39 2ddj s PRO 37 Ca -0.04 1.30 -0.21 0.00 0.02 0.00 0.00 61.00 62.08 2ddj s PRO 37 Cb -0.00 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.79 2ddj s PRO 37 CO -0.05 -2.48 0.66 -0.59 -0.33 0.00 0.00 177.00 174.22 2ddj s PHE 38 N -2.72 -0.26 -0.32 6.54 -0.71 0.81 -4.81 117.98 116.51 2ddj s PHE 38 Ca 0.65 -0.12 -0.19 0.00 -1.04 0.00 0.00 56.93 56.23 2ddj s PHE 38 Cb -0.21 0.63 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2ddj s PHE 38 CO 0.58 -1.10 0.58 0.08 -1.34 0.00 0.00 175.22 174.02 2ddj s VAL 39 N -3.87 4.97 0.46 -2.49 1.01 -1.26 -1.47 120.40 117.75 2ddj s VAL 39 Ca 0.09 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.77 2ddj s VAL 39 Cb -0.04 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2ddj s VAL 39 CO 0.01 -0.16 0.13 -0.47 0.00 0.00 0.00 175.10 174.61 2ddj s TYR 40 N 2.52 2.21 0.00 5.22 5.04 -0.44 -4.71 117.35 127.19 2ddj s TYR 40 Ca 0.22 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 2ddj s TYR 40 Cb -0.15 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.35 2ddj s TYR 40 CO 0.12 0.15 0.85 0.41 -1.34 0.00 0.00 175.55 175.74 2ddj n GLY 41 N -1.27 1.20 3.12 8.97 0.00 0.20 -0.48 105.19 116.93 2ddj n GLY 41 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2ddj n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddj n GLY 42 N -0.35 2.37 1.15 -0.02 0.00 -1.26 -4.68 105.19 102.40 2ddj n GLY 42 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2ddj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddj n GLU 44 N -2.29 0.00 -3.46 0.00 4.71 -1.26 -4.74 120.64 113.60 2ddj n GLU 44 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.09 2ddj n GLU 44 Cb 0.18 -0.90 -0.02 0.00 -1.01 0.00 0.00 31.44 29.69 2ddj n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddj s GLY 45 N -0.26 -0.57 0.33 0.62 0.00 -1.26 -3.23 107.32 102.95 2ddj s GLY 45 Ca 0.56 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.76 2ddj s GLY 45 CO 0.39 0.15 0.46 0.70 0.00 0.00 0.00 173.10 174.80 2ddj n ASN 46 N -0.38 0.73 0.21 1.64 4.13 -1.26 -5.00 115.26 115.33 2ddj n ASN 46 Ca -0.15 -1.59 0.14 0.00 1.68 0.00 0.00 54.58 54.66 2ddj n ASN 46 Cb 0.64 -0.29 0.71 0.00 -1.54 0.00 0.00 39.78 39.31 2ddj n ASN 46 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2ddj h GLY 47 N -0.21 0.00 -6.34 7.41 0.00 -1.97 -3.28 103.07 98.67 2ddj h GLY 47 Ca -0.15 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.42 2ddj h GLY 47 CO 0.17 0.00 2.10 -2.01 0.00 0.00 0.00 176.54 176.81 2ddj n ASN 48 N -2.52 5.34 -3.50 0.19 5.15 -1.26 -4.78 115.26 113.87 2ddj n ASN 48 Ca -0.01 -3.11 -0.13 0.00 -0.60 0.00 0.00 54.58 50.73 2ddj n ASN 48 Cb 0.12 -1.47 -0.11 0.00 -0.53 0.00 0.00 39.78 37.79 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddj s ASN 49 N 0.86 0.64 0.13 1.20 3.84 -1.24 -4.13 114.94 116.23 2ddj s ASN 49 Ca 0.41 0.21 0.09 0.00 0.21 0.00 0.00 52.86 53.78 2ddj s ASN 49 Cb 0.11 0.77 -0.04 0.00 -0.55 0.00 0.00 41.25 41.54 2ddj s ASN 49 CO -0.01 -0.29 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.44 2ddj s PHE 50 N 2.44 1.90 -1.36 0.43 0.08 0.51 -4.95 117.98 117.04 2ddj s PHE 50 Ca 0.07 -0.42 0.24 0.00 0.12 0.00 0.00 56.93 56.94 2ddj s PHE 50 Cb -0.14 -1.01 0.32 0.00 -0.57 0.00 0.00 43.02 41.62 2ddj s PHE 50 CO -0.13 0.28 1.28 0.72 -0.10 0.00 0.00 175.22 177.28 2ddj n HIS 51 N 0.79 0.00 -3.83 0.36 8.25 -1.26 -0.51 115.22 119.01 2ddj n HIS 51 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2ddj n HIS 51 Cb 0.55 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddj s SER 52 N -2.79 -0.11 0.06 0.41 1.04 -1.26 -4.86 113.70 106.19 2ddj s SER 52 Ca 0.15 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2ddj s SER 52 Cb 0.18 0.50 -0.16 0.00 0.10 0.00 0.00 66.02 66.63 2ddj s SER 52 CO 0.67 -0.96 1.62 -0.09 0.98 0.00 0.00 173.24 175.46 2ddj h ARG 53 N 2.38 -0.17 -0.25 4.02 9.65 -1.98 -2.94 114.38 125.08 2ddj h ARG 53 Ca -0.30 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.61 2ddj h ARG 53 Cb 1.24 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.83 2ddj h ARG 53 CO 0.43 -0.03 -0.20 1.49 2.80 0.00 0.00 179.97 184.47 2ddj h GLU 54 N -0.27 -0.06 -0.45 0.20 4.22 -1.98 0.12 114.58 116.35 2ddj h GLU 54 Ca -0.02 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.44 2ddj h GLU 54 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2ddj h GLU 54 CO 0.03 -0.04 0.30 0.66 -2.18 0.00 0.00 179.01 177.78 2ddj h SER 55 N -0.06 0.49 -0.31 1.04 4.64 -1.97 -1.02 113.55 116.36 2ddj h SER 55 Ca 0.04 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 2ddj h SER 55 Cb 0.17 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ddj h SER 55 CO -0.27 0.35 -0.20 0.00 -0.87 0.00 0.00 176.83 175.84 2ddj h GLU 57 N 0.44 0.88 -0.71 0.00 5.08 0.46 -0.17 114.58 120.55 2ddj h GLU 57 Ca 0.06 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2ddj h GLU 57 Cb 0.75 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2ddj h GLU 57 CO 0.06 0.58 0.19 0.22 -1.00 0.00 0.00 179.01 179.06 2ddj h ASP 58 N 0.90 1.06 -0.81 1.42 1.82 -1.04 -2.18 116.42 117.59 2ddj h ASP 58 Ca 0.32 -0.22 0.18 0.00 -0.39 0.00 0.00 57.03 56.91 2ddj h ASP 58 Cb 0.12 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 39.80 2ddj h ASP 58 CO -0.10 1.01 0.55 0.00 -1.61 0.00 0.00 179.24 179.08 2ddj h ALA 59 N 1.09 2.23 0.00 -0.78 0.00 -0.05 -3.43 119.26 118.33 2ddj h ALA 59 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ddj h ALA 59 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ddj h ALA 59 CO -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.78 2ddj s PRO 61 N -2.00 3.27 0.32 0.00 0.04 -1.24 -3.91 135.00 131.49 2ddj s PRO 61 Ca 0.00 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.08 2ddj s PRO 61 Cb 0.00 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 2ddj s PRO 61 CO 0.00 -2.02 0.29 0.08 0.04 0.00 0.00 177.00 175.39 2ddj s VAL 62 N 5.67 0.00 0.73 -0.36 1.01 -1.26 -5.01 120.40 121.17 2ddj s VAL 62 Ca 0.40 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 2ddj s VAL 62 Cb -0.08 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2ddj s VAL 62 CO 0.19 0.00 1.07 -0.69 0.00 0.00 0.00 175.10 175.67 2ddj s VAL 63 N -3.44 3.69 0.10 2.92 1.01 -1.26 -4.99 120.40 118.43 2ddj s VAL 63 Ca 0.40 0.55 -0.36 0.00 0.00 0.00 0.00 61.98 62.57 2ddj s VAL 63 Cb 0.02 -3.28 -0.17 0.00 0.00 0.00 0.00 36.38 32.95 2ddj s VAL 63 CO 0.26 -0.72 1.14 -0.67 0.00 0.00 0.00 175.10 175.11 2ddj n ASP 64 N -3.24 0.84 -4.56 3.32 -0.08 -1.26 -4.81 116.55 106.75 2ddj n ASP 64 Ca 0.07 1.14 -0.25 0.00 -1.51 0.00 0.00 54.79 54.24 2ddj n ASP 64 Cb 0.54 -1.10 -0.05 0.00 2.34 0.00 0.00 41.12 42.85 2ddj n ASP 64 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2ddj s HIS 65 N 0.01 1.75 -0.32 -0.67 3.76 -1.26 -4.75 115.29 113.80 2ddj s HIS 65 Ca 0.81 0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 56.47 2ddj s HIS 65 Cb -1.01 -3.97 -0.11 0.00 1.11 0.00 0.00 32.58 28.60 2ddj s HIS 65 CO 0.52 -1.67 1.01 0.72 -0.85 0.00 0.00 174.74 174.47 2ddj n HIS 66 N 14.56 0.00 -0.95 1.40 8.25 -1.26 -4.80 115.22 132.42 2ddj n HIS 66 Ca 0.41 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.72 2ddj n HIS 66 Cb 0.46 -0.32 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 67 N 3.22 0.43 -1.44 4.41 8.25 -1.26 -4.95 115.22 123.88 2ddj n HIS 67 Ca 0.22 -1.64 -0.56 0.00 -0.26 0.00 0.00 57.72 55.48 2ddj n HIS 67 Cb 0.21 -1.64 -0.09 0.00 1.12 0.00 0.00 29.99 29.59 2ddj n HIS 67 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddj n HIS 68 N 2.79 1.55 0.12 4.41 1.44 -1.26 -4.80 115.22 119.47 2ddj n HIS 68 Ca 0.45 0.52 0.05 0.00 -2.01 0.00 0.00 57.72 56.72 2ddj n HIS 68 Cb 0.70 -2.43 0.24 0.00 0.12 0.00 0.00 29.99 28.62 2ddj n HIS 68 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ddj n HIS 69 N 8.07 0.28 -1.35 -1.40 8.25 -1.26 -5.18 115.22 122.62 2ddj n HIS 69 Ca 0.43 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2ddj n HIS 69 Cb 0.11 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.50 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56