#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj h ALA 2 N 0.00 1.05 -0.39 0.62 0.00 -1.93 -3.02 119.26 115.60 2ddj h ALA 2 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2ddj h ALA 2 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ddj h ALA 2 CO 0.00 0.03 0.73 0.93 0.00 0.00 0.00 179.25 180.94 2ddj h GLU 3 N 0.00 0.00 -3.50 0.00 3.07 -1.98 -3.34 114.58 108.83 2ddj h GLU 3 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ddj h GLU 3 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2ddj h GLU 3 CO 0.00 0.00 0.74 0.00 -1.40 0.00 0.00 179.01 178.35 2ddj n ALA 4 N -2.04 0.98 0.25 3.43 0.00 -1.14 -4.43 120.51 117.56 2ddj n ALA 4 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.64 2ddj n ALA 4 Cb 0.87 -2.33 0.62 0.00 0.00 0.00 0.00 19.45 18.61 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 6.95 0.00 0.00 0.00 4.39 -1.91 -3.37 114.58 120.63 2ddj h GLU 5 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ddj h GLU 5 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ddj h GLU 5 CO 0.74 0.15 0.00 0.34 -1.16 0.00 0.00 179.01 179.07 2ddj n PHE 6 N -3.41 -1.29 -1.39 4.33 7.35 -1.26 -4.82 117.46 116.96 2ddj n PHE 6 Ca -0.01 0.00 -0.49 0.00 -0.76 0.00 0.00 57.45 56.19 2ddj n PHE 6 Cb 0.33 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.04 2ddj n PHE 6 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2ddj n THR 7 N -0.93 0.01 -1.70 -2.13 -1.04 -1.26 -4.78 114.28 102.45 2ddj n THR 7 Ca 0.00 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 2ddj n THR 7 Cb 0.00 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.80 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 7.76 6.45 0.38 8.00 -1.08 -1.26 -4.93 116.67 132.00 2ddj s ASP 8 Ca 1.26 2.62 0.07 0.00 -0.52 0.00 0.00 52.55 55.98 2ddj s ASP 8 Cb -1.29 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 38.46 2ddj s ASP 8 CO 0.55 -1.06 1.99 0.00 0.52 0.00 0.00 175.17 177.17 2ddj h ALA 9 N 10.58 1.75 0.00 3.66 0.00 -1.86 -1.62 119.26 131.78 2ddj h ALA 9 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ddj h ALA 9 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ddj h ALA 9 CO 0.94 0.15 -0.02 0.00 0.00 0.00 0.00 179.25 180.33 2ddj n VAL 11 N -3.25 0.00 -4.15 0.00 0.31 -0.61 -4.48 118.33 106.15 2ddj n VAL 11 Ca -0.02 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 2ddj n VAL 11 Cb 0.13 0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 33.83 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 -2.72 3.69 0.85 7.52 2.96 -0.49 -5.05 118.68 125.43 2ddj s LEU 12 Ca 0.15 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.97 2ddj s LEU 12 Cb 0.18 -2.24 0.10 0.00 0.50 0.00 0.00 46.19 44.73 2ddj s LEU 12 CO 0.67 0.23 1.12 -2.16 -1.32 0.00 0.00 176.35 174.90 2ddj s PRO 13 N -1.94 1.58 -0.22 0.98 0.04 -1.26 -4.88 135.00 129.30 2ddj s PRO 13 Ca 0.24 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 2ddj s PRO 13 Cb -0.12 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ddj s PRO 13 CO 0.16 -2.18 1.69 0.00 0.04 0.00 0.00 177.00 176.71 2ddj s ALA 14 N -2.74 3.20 -0.18 8.56 0.00 -1.26 -4.69 121.76 124.65 2ddj s ALA 14 Ca 0.64 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 2ddj s ALA 14 Cb -0.20 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.01 2ddj s ALA 14 CO 0.57 -2.08 0.72 0.08 0.00 0.00 0.00 175.76 175.05 2ddj s VAL 15 N 5.58 4.96 -0.16 0.00 1.01 -1.24 -4.93 120.40 125.62 2ddj s VAL 15 Ca 0.75 1.40 0.17 0.00 0.00 0.00 0.00 61.98 64.31 2ddj s VAL 15 Cb -0.26 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 2ddj s VAL 15 CO 0.31 0.08 1.02 1.56 0.00 0.00 0.00 175.10 178.07 2ddj h GLN 16 N 7.36 0.00 0.00 2.72 4.20 -1.89 -3.44 115.11 124.06 2ddj h GLN 16 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2ddj h GLN 16 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2ddj h GLN 16 CO 0.80 0.28 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 2ddj n GLY 17 N 1.31 -1.73 0.00 3.46 0.00 -1.25 -0.54 105.19 106.45 2ddj n GLY 17 Ca -0.05 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.14 0.35 -1.23 1.61 -0.04 -1.26 -4.81 135.00 127.48 2ddj n PRO 18 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.21 2ddj n PRO 18 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.99 0.27 -2.82 0.00 3.00 -1.26 -4.92 116.66 106.94 2ddj n ARG 20 Ca 0.14 -0.55 -0.31 0.00 -0.01 0.00 0.00 57.85 57.12 2ddj n ARG 20 Cb 0.51 -0.76 -0.04 0.00 0.00 0.00 0.00 32.46 32.17 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ddj s GLY 21 N -0.20 2.04 -0.30 -0.13 0.00 -1.26 -5.06 107.32 102.41 2ddj s GLY 21 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.66 2ddj s GLY 21 CO 0.00 0.13 0.03 -0.98 0.00 0.00 0.00 173.10 172.28 2ddj s TRP 22 N -2.35 2.78 -0.31 1.90 0.23 -1.26 -4.11 118.94 115.83 2ddj s TRP 22 Ca 0.53 -2.28 -0.16 0.00 -2.03 0.00 0.00 56.10 52.16 2ddj s TRP 22 Cb -0.10 -2.17 -0.02 0.00 0.03 0.00 0.00 33.47 31.21 2ddj s TRP 22 CO 0.29 -0.88 0.43 -2.00 0.96 0.00 0.00 176.95 175.75 2ddj s GLU 23 N 1.25 3.78 0.07 4.98 2.56 0.48 -4.94 118.70 126.88 2ddj s GLU 23 Ca 0.05 -0.11 -0.31 0.00 0.00 0.00 0.00 54.97 54.61 2ddj s GLU 23 Cb -0.18 -3.74 -0.07 0.00 2.00 0.00 0.00 34.13 32.13 2ddj s GLU 23 CO -0.12 -0.47 1.37 -1.25 -0.56 0.00 0.00 175.26 174.22 2ddj s PRO 24 N 2.20 4.32 0.41 4.30 0.04 -1.26 -1.01 135.00 144.00 2ddj s PRO 24 Ca 0.16 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2ddj s PRO 24 Cb -0.16 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 2ddj s PRO 24 CO 0.11 -0.46 0.16 1.03 0.04 0.00 0.00 177.00 177.88 2ddj s ARG 25 N 1.56 1.95 0.05 4.56 1.81 -0.40 -4.94 118.95 123.53 2ddj s ARG 25 Ca 0.64 -2.19 0.06 0.00 -1.72 0.00 0.00 55.73 52.52 2ddj s ARG 25 Cb -0.34 -0.46 -0.03 0.00 -0.45 0.00 0.00 34.95 33.67 2ddj s ARG 25 CO 0.29 -0.54 -0.15 -1.58 -0.68 0.00 0.00 175.30 172.65 2ddj s TRP 26 N -3.22 2.65 -0.01 -0.53 0.52 -0.59 -0.09 118.94 117.68 2ddj s TRP 26 Ca 0.25 -0.20 -0.12 0.00 0.02 0.00 0.00 56.10 56.05 2ddj s TRP 26 Cb 0.02 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2ddj s TRP 26 CO 0.16 0.31 0.24 0.00 0.02 0.00 0.00 176.95 177.68 2ddj s ALA 27 N -0.99 -0.59 0.15 0.98 0.00 -0.60 0.07 121.76 120.79 2ddj s ALA 27 Ca 0.16 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 2ddj s ALA 27 Cb -0.11 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 2ddj s ALA 27 CO 0.07 -0.24 0.88 -0.47 0.00 0.00 0.00 175.76 176.00 2ddj s TYR 28 N -1.35 3.87 -0.25 0.00 5.04 -1.26 -1.43 117.35 121.97 2ddj s TYR 28 Ca -0.14 1.74 -0.00 0.00 -2.44 0.00 0.00 57.07 56.23 2ddj s TYR 28 Cb -0.06 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.36 2ddj s TYR 28 CO 0.03 0.36 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.40 2ddj s SER 29 N -0.61 4.30 0.33 4.32 0.01 0.07 -4.69 113.70 117.44 2ddj s SER 29 Ca 0.41 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.70 2ddj s SER 29 Cb -0.24 -1.62 0.58 0.00 0.21 0.00 0.00 66.02 64.96 2ddj s SER 29 CO 0.28 -0.15 1.77 1.55 0.41 0.00 0.00 173.24 177.10 2ddj h PRO 30 N 7.93 0.16 0.00 12.44 0.13 -1.83 0.10 132.00 150.93 2ddj h PRO 30 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ddj h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.50 0.00 -0.07 -0.23 0.00 0.00 178.00 178.75 2ddj h LEU 31 N 0.13 0.00 -0.75 1.56 4.07 -1.94 -1.22 115.31 117.17 2ddj h LEU 31 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ddj h LEU 31 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 2ddj h LEU 31 CO 0.05 0.00 -0.09 0.18 -1.08 0.00 0.00 178.44 177.50 2ddj n LEU 32 N -2.33 1.00 -3.04 1.67 4.77 -0.83 -5.01 117.00 113.23 2ddj n LEU 32 Ca 0.00 -0.81 -0.18 0.00 -0.03 0.00 0.00 56.01 55.00 2ddj n LEU 32 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2ddj n LEU 32 CO 0.16 0.21 -0.07 1.67 -1.33 0.00 0.00 177.39 178.03 2ddj n GLN 33 N -0.23 -2.92 -3.72 3.23 7.27 0.26 -4.90 117.38 116.38 2ddj n GLN 33 Ca 0.02 0.43 -0.06 0.00 0.07 0.00 0.00 57.00 57.47 2ddj n GLN 33 Cb 0.12 -5.08 -0.02 0.00 2.41 0.00 0.00 30.24 27.67 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 -5.66 1.31 0.20 3.69 0.74 -0.66 -4.54 119.66 114.74 2ddj s GLN 34 Ca 0.25 -0.68 -0.10 0.00 0.05 0.00 0.00 55.36 54.88 2ddj s GLN 34 Cb -0.14 0.48 -0.07 0.00 1.10 0.00 0.00 33.01 34.38 2ddj s GLN 34 CO 0.31 -0.59 0.53 0.00 -0.55 0.00 0.00 175.29 174.99 2ddj s HIS 36 N -1.72 0.31 0.82 0.00 -3.43 -0.51 -4.95 115.29 105.80 2ddj s HIS 36 Ca 0.44 -0.74 -0.11 0.00 -0.80 0.00 0.00 55.06 53.85 2ddj s HIS 36 Cb -0.12 -0.21 0.09 0.00 -1.43 0.00 0.00 32.58 30.90 2ddj s HIS 36 CO 0.21 -0.42 1.13 -2.14 -2.00 0.00 0.00 174.74 171.52 2ddj s PRO 37 N -3.47 1.77 0.23 -0.38 0.02 -1.26 -1.55 135.00 130.36 2ddj s PRO 37 Ca 0.02 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.30 2ddj s PRO 37 Cb 0.04 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.75 2ddj s PRO 37 CO -0.09 -2.05 0.54 -0.59 -0.33 0.00 0.00 177.00 174.49 2ddj s PHE 38 N -2.64 0.02 -0.33 6.54 -0.71 0.88 -4.82 117.98 116.93 2ddj s PHE 38 Ca 0.66 -0.40 -0.18 0.00 -1.04 0.00 0.00 56.93 55.97 2ddj s PHE 38 Cb -0.21 0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2ddj s PHE 38 CO 0.54 -1.00 0.51 0.08 -1.34 0.00 0.00 175.22 174.01 2ddj s VAL 39 N -3.93 5.03 0.43 -2.49 1.01 -1.26 -1.27 120.40 117.92 2ddj s VAL 39 Ca 0.14 0.48 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2ddj s VAL 39 Cb -0.02 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2ddj s VAL 39 CO 0.03 -0.13 0.09 -0.47 0.00 0.00 0.00 175.10 174.62 2ddj s TYR 40 N 2.36 2.42 -0.01 5.22 5.04 -0.18 -4.63 117.35 127.57 2ddj s TYR 40 Ca 0.19 -0.69 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 2ddj s TYR 40 Cb -0.15 -1.83 0.03 0.00 0.35 0.00 0.00 41.96 40.35 2ddj s TYR 40 CO 0.12 0.27 0.99 0.41 -1.34 0.00 0.00 175.55 176.01 2ddj n GLY 41 N -1.15 2.92 4.03 8.97 0.00 0.29 -0.39 105.19 119.87 2ddj n GLY 41 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.57 1.88 1.25 -0.02 0.00 -1.26 -4.68 105.19 101.78 2ddj n GLY 42 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.13 0.00 -3.67 0.00 4.71 -1.26 -4.81 120.64 113.49 2ddj n GLU 44 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.14 2ddj n GLU 44 Cb 0.19 -0.92 -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 -0.31 0.45 0.62 0.00 -1.26 -3.76 107.32 102.80 2ddj s GLY 45 Ca 0.57 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.63 2ddj s GLY 45 CO 0.40 0.09 0.62 0.70 0.00 0.00 0.00 173.10 174.90 2ddj n ASN 46 N -0.40 1.09 0.03 1.64 4.13 -1.26 -5.01 115.26 115.47 2ddj n ASN 46 Ca -0.08 -1.86 0.08 0.00 1.68 0.00 0.00 54.58 54.40 2ddj n ASN 46 Cb 0.61 -0.38 0.33 0.00 -1.54 0.00 0.00 39.78 38.81 2ddj n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ddj n GLY 47 N 0.04 -1.02 2.75 7.41 0.00 -1.26 -3.86 105.19 109.24 2ddj n GLY 47 Ca 0.11 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ddj n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddj n ASN 48 N -1.65 5.16 -3.42 1.61 5.15 -1.26 -4.68 115.26 116.17 2ddj n ASN 48 Ca 0.03 -2.99 -0.06 0.00 -0.60 0.00 0.00 54.58 50.96 2ddj n ASN 48 Cb 0.17 -1.53 -0.07 0.00 -0.53 0.00 0.00 39.78 37.82 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 1.67 -0.30 0.28 1.20 3.84 -1.25 -3.71 114.94 116.68 2ddj s ASN 49 Ca 0.45 0.65 0.10 0.00 0.21 0.00 0.00 52.86 54.28 2ddj s ASN 49 Cb 0.12 1.46 -0.05 0.00 -0.55 0.00 0.00 41.25 42.23 2ddj s ASN 49 CO -0.04 -0.27 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.48 2ddj s PHE 50 N 2.65 2.18 -0.52 0.43 0.40 0.11 -4.72 117.98 118.50 2ddj s PHE 50 Ca 0.09 -0.44 0.23 0.00 -0.60 0.00 0.00 56.93 56.21 2ddj s PHE 50 Cb -0.14 -1.04 0.04 0.00 0.51 0.00 0.00 43.02 42.38 2ddj s PHE 50 CO -0.16 0.59 1.01 0.72 0.70 0.00 0.00 175.22 178.08 2ddj n HIS 51 N -0.61 0.36 -3.80 0.36 8.25 -1.26 -1.54 115.22 116.97 2ddj n HIS 51 Ca -0.06 0.10 -0.08 0.00 -0.26 0.00 0.00 57.72 57.43 2ddj n HIS 51 Cb 0.61 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -4.18 -0.30 0.05 0.41 1.04 -1.26 -4.87 113.70 104.60 2ddj s SER 52 Ca 0.02 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 2ddj s SER 52 Cb 0.14 0.71 -0.15 0.00 0.10 0.00 0.00 66.02 66.82 2ddj s SER 52 CO 0.80 -1.29 1.52 -0.09 0.98 0.00 0.00 173.24 175.17 2ddj h ARG 53 N 2.01 0.12 -0.28 4.02 9.65 -1.98 -3.06 114.38 124.85 2ddj h ARG 53 Ca -0.21 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.66 2ddj h ARG 53 Cb 1.26 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.79 2ddj h ARG 53 CO 0.25 0.33 -0.19 1.49 2.80 0.00 0.00 179.97 184.65 2ddj h GLU 54 N -0.10 -0.03 -0.59 0.20 4.22 -1.98 0.13 114.58 116.43 2ddj h GLU 54 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2ddj h GLU 54 Cb 0.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2ddj h GLU 54 CO 0.00 -0.02 0.31 0.66 -2.18 0.00 0.00 179.01 177.78 2ddj h SER 55 N -0.03 0.73 -0.07 1.04 4.64 -1.96 -0.02 113.55 117.87 2ddj h SER 55 Ca 0.05 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2ddj h SER 55 Cb 0.15 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2ddj h SER 55 CO -0.28 0.60 -0.02 0.00 -0.87 0.00 0.00 176.83 176.25 2ddj h GLU 57 N -0.19 0.71 -0.59 0.00 4.39 -0.15 -0.60 114.58 118.15 2ddj h GLU 57 Ca 0.02 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2ddj h GLU 57 Cb 0.41 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2ddj h GLU 57 CO 0.01 0.64 0.28 0.22 -1.16 0.00 0.00 179.01 178.99 2ddj h ASP 58 N 0.69 0.75 0.79 1.42 3.58 -0.88 -2.85 116.42 119.92 2ddj h ASP 58 Ca 0.16 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2ddj h ASP 58 Cb 0.25 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.11 2ddj h ASP 58 CO -0.00 0.65 -0.38 0.00 -2.88 0.00 0.00 179.24 176.62 2ddj h ALA 59 N 1.47 -1.06 -2.60 -0.78 0.00 -0.02 -3.45 119.26 112.82 2ddj h ALA 59 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ddj h ALA 59 Cb 0.10 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.15 2ddj h ALA 59 CO -0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 179.25 178.19 2ddj s PRO 61 N -2.89 3.28 0.30 0.00 0.04 -1.21 -3.60 135.00 130.92 2ddj s PRO 61 Ca -0.03 -0.42 0.05 0.00 0.04 0.00 0.00 61.00 60.64 2ddj s PRO 61 Cb -0.00 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2ddj s PRO 61 CO -0.05 -1.36 0.25 0.08 0.04 0.00 0.00 177.00 175.96 2ddj s VAL 62 N 3.48 0.00 0.74 -0.36 1.01 -1.26 -4.99 120.40 119.02 2ddj s VAL 62 Ca 0.26 -1.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.11 2ddj s VAL 62 Cb -0.14 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2ddj s VAL 62 CO 0.18 0.00 1.19 -0.69 0.00 0.00 0.00 175.10 175.78 2ddj s VAL 63 N -3.59 2.41 0.12 2.92 1.01 -1.26 -4.85 120.40 117.16 2ddj s VAL 63 Ca 0.40 0.19 -0.34 0.00 0.00 0.00 0.00 61.98 62.23 2ddj s VAL 63 Cb 0.03 -2.72 -0.18 0.00 0.00 0.00 0.00 36.38 33.52 2ddj s VAL 63 CO 0.24 -0.12 0.90 -0.67 0.00 0.00 0.00 175.10 175.45 2ddj n ASP 64 N -2.82 -0.11 -2.93 3.32 2.03 -1.26 -4.77 116.55 110.01 2ddj n ASP 64 Ca 0.13 1.15 -0.27 0.00 0.52 0.00 0.00 54.79 56.31 2ddj n ASP 64 Cb 0.51 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 2ddj n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddj n HIS 65 N 0.95 -1.83 -0.33 -0.67 8.25 -1.26 -4.78 115.22 115.54 2ddj n HIS 65 Ca 0.18 0.35 0.16 0.00 -0.26 0.00 0.00 57.72 58.14 2ddj n HIS 65 Cb 0.18 -1.18 0.31 0.00 1.12 0.00 0.00 29.99 30.42 2ddj n HIS 65 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ddj h HIS 66 N 0.06 0.05 -0.02 4.41 3.86 -1.89 -1.50 115.15 120.12 2ddj h HIS 66 Ca -0.27 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2ddj h HIS 66 Cb 1.00 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2ddj h HIS 66 CO 0.17 -0.41 0.00 1.58 0.86 0.00 0.00 177.93 180.13 2ddj n HIS 67 N -5.45 0.07 0.61 2.45 -0.00 -1.26 -4.67 115.22 106.97 2ddj n HIS 67 Ca 0.24 -0.96 0.00 0.00 -0.00 0.00 0.00 57.72 56.99 2ddj n HIS 67 Cb 0.79 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2ddj n HIS 67 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ddj n HIS 68 N -1.32 0.00 -4.09 1.57 -0.00 -0.57 -4.75 115.22 106.08 2ddj n HIS 68 Ca 0.16 -0.54 -0.06 0.00 -0.00 0.00 0.00 57.72 57.28 2ddj n HIS 68 Cb 0.64 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.99 30.32 2ddj n HIS 68 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ddj n HIS 69 N 0.77 -0.24 0.00 4.41 8.25 -1.26 -4.97 115.22 122.17 2ddj n HIS 69 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2ddj n HIS 69 Cb 0.45 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56