#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 5.55 0.20 0.62 0.00 -1.26 -4.86 120.51 120.76 2ddj n ALA 2 Ca 0.00 -3.45 0.18 0.00 0.00 0.00 0.00 53.44 50.18 2ddj n ALA 2 Cb 0.00 -1.16 0.81 0.00 0.00 0.00 0.00 19.45 19.10 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 1.76 0.00 0.00 0.00 3.07 -1.80 -0.35 114.58 117.27 2ddj h GLU 3 Ca 0.48 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.31 2ddj h GLU 3 Cb 1.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.30 2ddj h GLU 3 CO 1.10 0.00 -0.16 0.00 -1.40 0.00 0.00 179.01 178.55 2ddj h ALA 4 N 1.55 1.41 0.42 3.43 0.00 -1.98 -2.73 119.26 121.35 2ddj h ALA 4 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ddj h ALA 4 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ddj h ALA 4 CO -0.00 0.20 -0.20 0.93 0.00 0.00 0.00 179.25 180.18 2ddj h GLU 5 N 0.00 -0.54 -2.27 0.00 4.39 -1.36 -3.47 114.58 111.32 2ddj h GLU 5 Ca -0.00 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2ddj h GLU 5 Cb 0.37 0.12 -0.23 0.00 -0.10 0.00 0.00 28.75 28.91 2ddj h GLU 5 CO 0.02 -0.31 -0.07 0.12 -1.16 0.00 0.00 179.01 177.61 2ddj s PHE 6 N -3.57 -0.79 -0.89 4.33 5.36 -1.11 -3.68 117.98 117.63 2ddj s PHE 6 Ca -0.10 1.71 -0.25 0.00 -0.96 0.00 0.00 56.93 57.34 2ddj s PHE 6 Cb 0.01 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 43.09 2ddj s PHE 6 CO 0.30 -0.40 1.48 0.99 -1.46 0.00 0.00 175.22 176.14 2ddj s THR 7 N 1.02 3.77 0.15 0.12 2.01 -1.05 -4.49 115.64 117.17 2ddj s THR 7 Ca -0.06 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.75 2ddj s THR 7 Cb -0.05 -4.82 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 2ddj s THR 7 CO -0.09 -1.73 -0.23 -0.62 -0.69 0.00 0.00 174.62 171.25 2ddj s ASP 8 N 5.16 3.06 0.28 3.53 -1.08 -1.26 -5.01 116.67 121.36 2ddj s ASP 8 Ca 0.47 -0.79 -0.03 0.00 -0.52 0.00 0.00 52.55 51.67 2ddj s ASP 8 Cb -0.04 -0.20 0.38 0.00 -1.46 0.00 0.00 42.92 41.60 2ddj s ASP 8 CO 0.01 0.09 1.95 0.00 0.52 0.00 0.00 175.17 177.74 2ddj h ALA 9 N 3.59 1.36 0.00 3.66 0.00 -1.92 0.24 119.26 126.18 2ddj h ALA 9 Ca -0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ddj h ALA 9 Cb 1.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ddj h ALA 9 CO 0.44 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 180.27 2ddj n VAL 11 N -3.10 0.00 -3.74 0.00 0.31 -0.43 -4.38 118.33 106.99 2ddj n VAL 11 Ca 0.00 -0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 63.80 2ddj n VAL 11 Cb 0.29 0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 34.11 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 -2.59 4.39 0.92 7.52 2.96 -0.06 -4.38 118.68 127.44 2ddj s LEU 12 Ca 0.18 0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 2ddj s LEU 12 Cb 0.18 -2.51 0.14 0.00 0.50 0.00 0.00 46.19 44.50 2ddj s LEU 12 CO 0.61 0.30 1.10 -2.16 -1.32 0.00 0.00 176.35 174.88 2ddj s PRO 13 N -1.46 1.04 -0.33 0.98 0.04 -1.26 -4.84 135.00 129.17 2ddj s PRO 13 Ca 0.24 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 2ddj s PRO 13 Cb -0.14 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2ddj s PRO 13 CO 0.13 -2.34 1.35 0.00 0.04 0.00 0.00 177.00 176.17 2ddj s ALA 14 N -3.00 3.27 -0.16 8.56 0.00 -1.26 -4.87 121.76 124.30 2ddj s ALA 14 Ca 0.64 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.48 2ddj s ALA 14 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 2ddj s ALA 14 CO 0.56 -1.95 0.41 0.08 0.00 0.00 0.00 175.76 174.87 2ddj s VAL 15 N 4.70 5.21 -0.19 0.00 1.01 -1.26 -4.97 120.40 124.90 2ddj s VAL 15 Ca 0.58 0.78 0.17 0.00 0.00 0.00 0.00 61.98 63.51 2ddj s VAL 15 Cb -0.16 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2ddj s VAL 15 CO 0.26 0.31 1.33 1.56 0.00 0.00 0.00 175.10 178.56 2ddj h GLN 16 N 6.97 0.00 0.00 2.72 4.20 -1.92 -3.43 115.11 123.65 2ddj h GLN 16 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2ddj h GLN 16 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2ddj h GLN 16 CO 0.74 0.37 0.00 0.41 -0.67 0.00 0.00 178.83 179.68 2ddj n GLY 17 N 1.24 -1.23 0.12 3.46 0.00 -1.26 -0.25 105.19 107.27 2ddj n GLY 17 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.42 2ddj n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddj h PRO 18 N 0.00 0.00 -7.24 1.61 0.13 -1.90 -3.45 132.00 121.15 2ddj h PRO 18 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2ddj h PRO 18 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 2ddj h PRO 18 CO 0.00 0.50 0.34 0.00 -0.23 0.00 0.00 178.00 178.61 2ddj n ARG 20 N -2.50 2.16 -1.60 0.00 3.00 -1.26 -4.48 116.66 111.97 2ddj n ARG 20 Ca 0.05 -2.00 -0.31 0.00 -0.01 0.00 0.00 57.85 55.58 2ddj n ARG 20 Cb 0.54 -1.43 0.05 0.00 0.00 0.00 0.00 32.46 31.62 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 -1.46 1.66 -0.03 -0.13 0.00 -1.26 -5.06 107.32 101.05 2ddj s GLY 21 Ca 0.30 0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2ddj s GLY 21 CO 0.27 0.35 -0.05 -0.98 0.00 0.00 0.00 173.10 172.69 2ddj s TRP 22 N -3.07 0.63 -0.15 1.90 0.23 -1.26 -4.16 118.94 113.06 2ddj s TRP 22 Ca 0.58 -0.15 -0.02 0.00 -2.03 0.00 0.00 56.10 54.49 2ddj s TRP 22 Cb -0.14 -0.53 0.05 0.00 0.03 0.00 0.00 33.47 32.88 2ddj s TRP 22 CO 0.55 -0.12 0.01 -2.00 0.96 0.00 0.00 176.95 176.35 2ddj s GLU 23 N 0.55 0.78 -0.19 4.98 2.56 0.10 -4.96 118.70 122.51 2ddj s GLU 23 Ca -0.07 -0.25 -0.29 0.00 0.00 0.00 0.00 54.97 54.36 2ddj s GLU 23 Cb -0.10 -1.70 -0.03 0.00 2.00 0.00 0.00 34.13 34.29 2ddj s GLU 23 CO -0.00 -0.49 1.63 -1.25 -0.56 0.00 0.00 175.26 174.59 2ddj s PRO 24 N 1.86 3.86 0.37 4.30 0.04 -1.26 -1.53 135.00 142.64 2ddj s PRO 24 Ca 0.01 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2ddj s PRO 24 Cb -0.15 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2ddj s PRO 24 CO -0.07 -1.22 0.01 0.54 0.04 0.00 0.00 177.00 176.30 2ddj n ARG 25 N 7.57 1.10 -4.29 4.56 5.12 -0.42 -4.82 116.66 125.46 2ddj n ARG 25 Ca 0.19 -2.70 -0.18 0.00 -1.93 0.00 0.00 57.85 53.23 2ddj n ARG 25 Cb 0.45 0.71 -0.14 0.00 -1.16 0.00 0.00 32.46 32.32 2ddj n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ddj s TRP 26 N -2.33 0.92 -0.00 -1.55 0.52 0.94 -0.24 118.94 117.20 2ddj s TRP 26 Ca 0.01 -0.28 -0.08 0.00 0.02 0.00 0.00 56.10 55.76 2ddj s TRP 26 Cb -0.00 -0.56 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 2ddj s TRP 26 CO 0.00 -0.01 0.15 0.00 0.02 0.00 0.00 176.95 177.12 2ddj s ALA 27 N -0.65 -0.37 0.17 0.98 0.00 -0.57 -0.31 121.76 121.01 2ddj s ALA 27 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 2ddj s ALA 27 Cb -0.06 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 2ddj s ALA 27 CO 0.00 -0.21 1.01 -0.47 0.00 0.00 0.00 175.76 176.10 2ddj s TYR 28 N -1.31 3.76 -0.25 0.00 5.04 -1.26 -1.51 117.35 121.81 2ddj s TYR 28 Ca -0.14 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 2ddj s TYR 28 Cb -0.07 -3.13 0.04 0.00 0.35 0.00 0.00 41.96 39.15 2ddj s TYR 28 CO 0.02 -0.06 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.96 2ddj s SER 29 N -0.31 4.28 0.31 4.32 0.01 -0.10 -4.57 113.70 117.65 2ddj s SER 29 Ca 0.47 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.74 2ddj s SER 29 Cb -0.26 -1.61 0.53 0.00 0.21 0.00 0.00 66.02 64.88 2ddj s SER 29 CO 0.33 -0.15 1.76 1.55 0.41 0.00 0.00 173.24 177.14 2ddj h PRO 30 N 7.93 0.30 0.00 12.44 0.13 -1.83 0.16 132.00 151.13 2ddj h PRO 30 Ca -0.29 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2ddj h PRO 30 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.57 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.77 2ddj h LEU 31 N 0.27 0.00 -1.12 1.56 3.38 -1.94 -0.45 115.31 117.00 2ddj h LEU 31 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ddj h LEU 31 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ddj h LEU 31 CO 0.05 0.05 -0.33 0.18 0.09 0.00 0.00 178.44 178.47 2ddj n LEU 32 N -3.46 2.02 -1.03 1.67 4.77 -0.87 -4.98 117.00 115.12 2ddj n LEU 32 Ca -0.02 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 55.05 2ddj n LEU 32 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2ddj n LEU 32 CO 0.26 0.37 -0.10 1.67 -1.33 0.00 0.00 177.39 178.27 2ddj n GLN 33 N 0.17 -1.49 -3.87 3.23 0.00 0.43 -4.88 117.38 110.97 2ddj n GLN 33 Ca 0.09 0.68 -0.07 0.00 -0.00 0.00 0.00 57.00 57.70 2ddj n GLN 33 Cb 0.43 -4.82 -0.02 0.00 0.00 0.00 0.00 30.24 25.83 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2ddj s GLN 34 N -2.67 1.77 0.32 3.69 0.74 -0.34 -4.53 119.66 118.64 2ddj s GLN 34 Ca 0.00 -1.01 -0.18 0.00 0.05 0.00 0.00 55.36 54.22 2ddj s GLN 34 Cb 0.00 0.60 -0.09 0.00 1.10 0.00 0.00 33.01 34.62 2ddj s GLN 34 CO 0.00 -0.81 0.79 0.00 -0.55 0.00 0.00 175.29 174.72 2ddj s HIS 36 N -1.89 0.38 0.86 0.00 -3.43 -0.57 -4.94 115.29 105.70 2ddj s HIS 36 Ca 0.53 -0.78 -0.11 0.00 -0.80 0.00 0.00 55.06 53.89 2ddj s HIS 36 Cb -0.12 -0.28 0.11 0.00 -1.43 0.00 0.00 32.58 30.86 2ddj s HIS 36 CO 0.18 -0.30 1.09 -1.25 -2.00 0.00 0.00 174.74 172.46 2ddj s PRO 37 N -2.77 1.55 0.17 -0.38 0.05 -1.26 -1.51 135.00 130.84 2ddj s PRO 37 Ca -0.04 1.02 -0.23 0.00 0.05 0.00 0.00 61.00 61.80 2ddj s PRO 37 Cb -0.00 -1.83 0.06 0.00 0.05 0.00 0.00 34.50 32.78 2ddj s PRO 37 CO -0.06 -2.10 0.65 -0.59 0.05 0.00 0.00 177.00 174.96 2ddj s PHE 38 N -2.88 -0.44 -0.37 0.56 -0.71 0.67 -4.82 117.98 109.98 2ddj s PHE 38 Ca 0.63 0.18 -0.23 0.00 -1.04 0.00 0.00 56.93 56.47 2ddj s PHE 38 Cb -0.18 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.23 2ddj s PHE 38 CO 0.57 -0.91 0.79 0.08 -1.34 0.00 0.00 175.22 174.41 2ddj s VAL 39 N -3.73 4.72 0.19 -2.49 1.01 -1.26 -1.31 120.40 117.53 2ddj s VAL 39 Ca 0.04 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.92 2ddj s VAL 39 Cb -0.02 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2ddj s VAL 39 CO -0.08 -0.47 0.08 -0.47 0.00 0.00 0.00 175.10 174.16 2ddj s TYR 40 N 3.14 2.99 -2.45 5.22 5.04 -0.58 -4.75 117.35 125.95 2ddj s TYR 40 Ca 0.31 -0.09 0.24 0.00 -2.44 0.00 0.00 57.07 55.09 2ddj s TYR 40 Cb -0.13 -1.42 0.81 0.00 0.35 0.00 0.00 41.96 41.58 2ddj s TYR 40 CO 0.18 0.53 1.60 0.41 -1.34 0.00 0.00 175.55 176.92 2ddj n GLY 41 N -0.43 0.32 4.06 8.97 0.00 0.66 -0.72 105.19 118.04 2ddj n GLY 41 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.20 1.03 1.06 -0.02 0.00 -1.26 -4.28 105.19 102.92 2ddj n GLY 42 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 0.00 -3.89 0.00 4.71 -1.26 -4.85 120.64 113.41 2ddj n GLU 44 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.18 2ddj n GLU 44 Cb 0.16 -0.89 0.01 0.00 -1.01 0.00 0.00 31.44 29.72 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 -0.25 0.02 0.61 0.62 0.00 -1.26 -3.98 107.32 103.08 2ddj s GLY 45 Ca 0.55 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.09 2ddj s GLY 45 CO 0.38 2.93 0.84 0.70 0.00 0.00 0.00 173.10 177.95 2ddj n ASN 46 N -1.13 1.31 0.05 1.64 4.13 -1.26 -5.02 115.26 114.99 2ddj n ASN 46 Ca -0.02 -2.06 0.13 0.00 1.68 0.00 0.00 54.58 54.31 2ddj n ASN 46 Cb 0.59 -0.53 0.50 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 -1.58 -1.50 3.23 7.41 0.00 -1.26 -4.20 105.19 107.29 2ddj n GLY 47 Ca 0.14 -0.05 -0.43 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 -1.84 4.61 -3.39 1.61 5.15 -1.26 -4.82 115.26 115.31 2ddj n ASN 48 Ca 0.06 -2.91 -0.03 0.00 -0.60 0.00 0.00 54.58 51.10 2ddj n ASN 48 Cb 0.34 -1.69 -0.05 0.00 -0.53 0.00 0.00 39.78 37.86 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 3.53 -0.68 0.32 1.20 3.84 -1.26 -4.65 114.94 117.24 2ddj s ASN 49 Ca 0.50 0.85 0.03 0.00 0.21 0.00 0.00 52.86 54.45 2ddj s ASN 49 Cb 0.07 1.75 -0.06 0.00 -0.55 0.00 0.00 41.25 42.47 2ddj s ASN 49 CO 0.01 -0.26 0.07 -0.36 -2.79 0.00 0.00 177.10 173.77 2ddj s PHE 50 N 2.73 1.86 -0.56 0.43 0.40 0.58 -4.95 117.98 118.48 2ddj s PHE 50 Ca 0.09 -1.04 0.11 0.00 -0.60 0.00 0.00 56.93 55.49 2ddj s PHE 50 Cb -0.14 -1.19 -0.10 0.00 0.51 0.00 0.00 43.02 42.10 2ddj s PHE 50 CO -0.18 -0.10 0.47 0.72 0.70 0.00 0.00 175.22 176.84 2ddj n HIS 51 N -0.66 0.00 -4.12 0.36 8.25 -1.26 -0.04 115.22 117.75 2ddj n HIS 51 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2ddj n HIS 51 Cb 0.66 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.95 0.72 0.06 0.41 1.04 -1.26 -4.75 113.70 107.97 2ddj s SER 52 Ca 0.05 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.26 2ddj s SER 52 Cb 0.08 0.16 -0.13 0.00 0.10 0.00 0.00 66.02 66.24 2ddj s SER 52 CO 0.42 -0.55 1.52 -0.09 0.98 0.00 0.00 173.24 175.52 2ddj h ARG 53 N 3.08 0.22 -0.22 4.02 9.65 -1.98 -3.11 114.38 126.04 2ddj h ARG 53 Ca -0.34 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.50 2ddj h ARG 53 Cb 1.15 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 2ddj h ARG 53 CO 0.66 0.42 -0.18 1.49 2.80 0.00 0.00 179.97 185.16 2ddj h GLU 54 N -0.01 -0.06 -0.50 0.20 4.81 -1.98 0.87 114.58 117.92 2ddj h GLU 54 Ca 0.04 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2ddj h GLU 54 Cb 0.31 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2ddj h GLU 54 CO 0.00 -0.04 0.33 0.66 -0.73 0.00 0.00 179.01 179.24 2ddj h SER 55 N -0.06 0.54 -0.10 1.04 4.64 -1.98 -0.42 113.55 117.21 2ddj h SER 55 Ca 0.04 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 2ddj h SER 55 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2ddj h SER 55 CO -0.24 0.38 -0.40 0.00 -0.87 0.00 0.00 176.83 175.70 2ddj h GLU 57 N 0.01 0.47 -0.80 0.00 5.08 -0.16 -0.60 114.58 118.58 2ddj h GLU 57 Ca -0.02 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2ddj h GLU 57 Cb 1.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2ddj h GLU 57 CO 0.08 0.46 0.44 0.22 -1.00 0.00 0.00 179.01 179.22 2ddj h ASP 58 N 0.46 1.00 0.21 1.42 3.58 -0.97 -2.89 116.42 119.23 2ddj h ASP 58 Ca 0.11 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2ddj h ASP 58 Cb 0.23 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2ddj h ASP 58 CO 0.00 0.81 -0.10 0.00 -2.88 0.00 0.00 179.24 177.07 2ddj h ALA 59 N 1.23 -0.28 -2.92 -0.78 0.00 -0.46 -3.48 119.26 112.57 2ddj h ALA 59 Ca 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ddj h ALA 59 Cb 0.03 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 2ddj h ALA 59 CO -0.05 -0.56 0.21 0.00 0.00 0.00 0.00 179.25 178.85 2ddj s PRO 61 N -3.55 4.42 0.00 0.00 0.04 -1.24 -3.61 135.00 131.05 2ddj s PRO 61 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2ddj s PRO 61 Cb -0.01 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2ddj s PRO 61 CO -0.11 -0.29 0.00 0.28 0.04 0.00 0.00 177.00 176.92 2ddj n VAL 62 N 4.12 0.00 -1.60 -0.36 0.31 -1.26 -4.98 118.33 114.56 2ddj n VAL 62 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 2ddj n VAL 62 Cb 0.47 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2ddj n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddj n VAL 63 N 0.00 2.16 -1.67 2.52 0.31 -1.26 -4.80 118.33 115.59 2ddj n VAL 63 Ca 0.00 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.37 2ddj n VAL 63 Cb 0.00 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddj n ASP 64 N 0.88 3.08 0.00 4.52 2.03 -1.26 -4.78 116.55 121.03 2ddj n ASP 64 Ca 0.09 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2ddj n ASP 64 Cb 0.36 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 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 3.52 0.00 -0.71 -0.67 8.25 -1.26 -4.89 115.22 119.46 2ddj n HIS 65 Ca 0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 2ddj n HIS 65 Cb 0.29 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.61 2ddj n HIS 65 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ddj s HIS 66 N -0.01 1.58 -0.66 4.41 3.76 -1.26 -4.36 115.29 118.75 2ddj s HIS 66 Ca 0.00 1.28 -0.23 0.00 -0.15 0.00 0.00 55.06 55.97 2ddj s HIS 66 Cb 0.00 -3.16 -0.15 0.00 1.11 0.00 0.00 32.58 30.37 2ddj s HIS 66 CO 0.00 -3.43 1.85 0.72 -0.85 0.00 0.00 174.74 173.03 2ddj n HIS 67 N -4.62 0.44 -1.45 1.40 8.25 -1.24 -4.67 115.22 113.34 2ddj n HIS 67 Ca 0.05 0.30 -0.20 0.00 -0.26 0.00 0.00 57.72 57.60 2ddj n HIS 67 Cb 0.54 -1.66 -0.11 0.00 1.12 0.00 0.00 29.99 29.88 2ddj n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddj n HIS 68 N 7.12 0.93 -1.75 4.41 -0.00 -1.26 -4.94 115.22 119.73 2ddj n HIS 68 Ca 0.45 -0.35 -0.34 0.00 0.46 0.00 0.00 57.72 57.94 2ddj n HIS 68 Cb 0.02 -2.32 0.06 0.00 -0.12 0.00 0.00 29.99 27.63 2ddj n HIS 68 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ddj s HIS 69 N 15.21 2.36 -2.31 1.57 5.04 -1.26 -5.13 115.29 130.76 2ddj s HIS 69 Ca 0.78 1.56 0.18 0.00 -1.54 0.00 0.00 55.06 56.05 2ddj s HIS 69 Cb -0.01 -3.37 0.15 0.00 0.04 0.00 0.00 32.58 29.39 2ddj s HIS 69 CO 0.21 -2.15 1.09 1.58 -2.34 0.00 0.00 174.74 173.13