#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 0.03 0.08 -1.84 0.00 -1.26 -4.79 120.51 112.73 2ddj n ALA 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2ddj n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.07 -6.30 0.00 3.07 -2.03 -3.43 114.58 105.95 2ddj h GLU 3 Ca 0.00 -0.09 -0.55 0.00 -0.50 0.00 0.00 59.36 58.21 2ddj h GLU 3 Cb 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2ddj h GLU 3 CO 0.00 0.96 0.58 0.00 -1.40 0.00 0.00 179.01 179.15 2ddj s ALA 4 N -2.92 3.40 0.62 3.43 0.00 -1.26 -4.93 121.76 120.09 2ddj s ALA 4 Ca -0.01 0.47 0.28 0.00 0.00 0.00 0.00 51.96 52.71 2ddj s ALA 4 Cb 0.10 -3.44 1.49 0.00 0.00 0.00 0.00 23.12 21.27 2ddj s ALA 4 CO 0.82 -0.59 1.88 0.93 0.00 0.00 0.00 175.76 178.80 2ddj h GLU 5 N 7.14 0.00 -3.78 0.00 3.07 -1.92 -2.62 114.58 116.46 2ddj h GLU 5 Ca -0.33 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 57.89 2ddj h GLU 5 Cb 1.16 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.67 2ddj h GLU 5 CO 0.85 0.00 -0.68 0.12 -1.40 0.00 0.00 179.01 177.90 2ddj s PHE 6 N -4.40 3.18 0.24 4.33 2.19 -1.26 -4.84 117.98 117.41 2ddj s PHE 6 Ca -0.04 -2.97 -0.08 0.00 0.33 0.00 0.00 56.93 54.17 2ddj s PHE 6 Cb 0.12 -2.71 -0.06 0.00 -1.31 0.00 0.00 43.02 39.07 2ddj s PHE 6 CO 0.43 -0.82 0.53 0.99 1.83 0.00 0.00 175.22 178.17 2ddj s THR 7 N 0.26 4.99 0.02 0.12 2.01 -0.99 -4.61 115.64 117.45 2ddj s THR 7 Ca 0.15 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2ddj s THR 7 Cb -0.23 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2ddj s THR 7 CO -0.04 -0.13 -0.03 -0.62 -0.69 0.00 0.00 174.62 173.10 2ddj s ASP 8 N -2.61 0.33 0.59 3.53 2.15 -1.26 -4.99 116.67 114.40 2ddj s ASP 8 Ca 0.45 -0.40 0.29 0.00 0.43 0.00 0.00 52.55 53.32 2ddj s ASP 8 Cb -0.11 0.06 1.58 0.00 -0.30 0.00 0.00 42.92 44.15 2ddj s ASP 8 CO 0.24 -0.21 2.02 0.00 -0.17 0.00 0.00 175.17 177.05 2ddj h ALA 9 N 4.95 1.96 -0.81 3.66 0.00 -1.93 -1.91 119.26 125.18 2ddj h ALA 9 Ca -0.31 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.78 2ddj h ALA 9 Cb 1.21 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2ddj h ALA 9 CO 0.43 -0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.37 2ddj n VAL 11 N -5.23 0.00 -3.24 0.00 0.31 -0.72 -4.66 118.33 104.80 2ddj n VAL 11 Ca 0.17 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.91 2ddj n VAL 11 Cb 0.56 0.59 -0.06 0.00 -0.91 0.00 0.00 33.84 34.02 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 -2.32 4.46 0.83 7.52 2.96 -0.60 -3.99 118.68 127.54 2ddj s LEU 12 Ca 0.28 1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 55.25 2ddj s LEU 12 Cb 0.20 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 44.02 2ddj s LEU 12 CO 0.46 0.17 0.77 -2.65 -1.32 0.00 0.00 176.35 173.78 2ddj n PRO 13 N 2.32 0.03 -3.72 0.98 -0.02 -1.26 -4.64 135.00 128.69 2ddj n PRO 13 Ca -0.08 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 2ddj n PRO 13 Cb 0.51 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2ddj n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddj s ALA 14 N -2.18 3.83 0.02 3.55 0.00 -1.26 -4.40 121.76 121.32 2ddj s ALA 14 Ca 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2ddj s ALA 14 Cb -0.28 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 2ddj s ALA 14 CO 0.58 0.69 -0.03 0.08 0.00 0.00 0.00 175.76 177.08 2ddj s VAL 15 N -1.57 0.16 -0.02 0.00 1.01 -1.26 -4.97 120.40 113.75 2ddj s VAL 15 Ca 0.38 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2ddj s VAL 15 Cb -0.13 -0.27 -0.29 0.00 0.00 0.00 0.00 36.38 35.69 2ddj s VAL 15 CO 0.24 -0.38 0.98 1.56 0.00 0.00 0.00 175.10 177.50 2ddj h GLN 16 N 4.93 0.36 0.00 2.72 4.20 -1.89 -3.39 115.11 122.04 2ddj h GLN 16 Ca -0.31 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 57.87 2ddj h GLN 16 Cb 1.21 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2ddj h GLN 16 CO 0.43 1.22 0.00 0.41 -0.67 0.00 0.00 178.83 180.22 2ddj n GLY 17 N 1.47 1.60 0.27 3.46 0.00 -1.24 -0.74 105.19 110.00 2ddj n GLY 17 Ca -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 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 0.66 -7.23 1.61 0.13 -1.91 -3.45 132.00 121.81 2ddj h PRO 18 Ca 0.00 -0.20 -0.52 0.00 -0.87 0.00 0.00 66.00 64.41 2ddj h PRO 18 Cb 0.00 -0.07 0.15 0.00 0.13 0.00 0.00 31.00 31.22 2ddj h PRO 18 CO 0.00 0.74 0.34 0.00 -0.23 0.00 0.00 178.00 178.85 2ddj n ARG 20 N -3.15 1.65 -1.67 0.00 3.00 -1.26 -4.68 116.66 110.54 2ddj n ARG 20 Ca 0.12 -1.64 -0.34 0.00 -0.01 0.00 0.00 57.85 55.98 2ddj n ARG 20 Cb 0.51 -1.28 0.06 0.00 0.00 0.00 0.00 32.46 31.75 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 -1.07 2.27 -0.26 -0.13 0.00 -1.26 -5.01 107.32 101.85 2ddj s GLY 21 Ca 0.20 0.70 0.02 0.00 0.00 0.00 0.00 44.72 45.64 2ddj s GLY 21 CO 0.18 1.07 -0.04 -0.98 0.00 0.00 0.00 173.10 173.33 2ddj s TRP 22 N -2.16 2.77 -0.30 1.90 0.23 -1.26 -4.00 118.94 116.12 2ddj s TRP 22 Ca 0.70 -2.09 -0.08 0.00 -2.03 0.00 0.00 56.10 52.61 2ddj s TRP 22 Cb -0.24 -1.88 0.01 0.00 0.03 0.00 0.00 33.47 31.38 2ddj s TRP 22 CO 0.42 -0.84 0.10 -2.00 0.96 0.00 0.00 176.95 175.59 2ddj s GLU 23 N 1.26 3.10 0.03 4.98 2.56 0.22 -4.97 118.70 125.88 2ddj s GLU 23 Ca -0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 54.97 53.78 2ddj s GLU 23 Cb -0.19 -3.43 -0.06 0.00 2.00 0.00 0.00 34.13 32.45 2ddj s GLU 23 CO -0.08 -0.46 1.42 -1.25 -0.56 0.00 0.00 175.26 174.33 2ddj s PRO 24 N 1.52 4.28 0.38 4.30 0.04 -1.26 -0.78 135.00 143.49 2ddj s PRO 24 Ca 0.03 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2ddj s PRO 24 Cb -0.17 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2ddj s PRO 24 CO 0.03 -0.56 0.16 1.03 0.04 0.00 0.00 177.00 177.70 2ddj s ARG 25 N 2.19 1.87 0.01 4.56 1.81 -0.32 -4.94 118.95 124.14 2ddj s ARG 25 Ca 0.65 -2.12 0.08 0.00 -1.72 0.00 0.00 55.73 52.61 2ddj s ARG 25 Cb -0.33 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.74 2ddj s ARG 25 CO 0.28 -0.50 -0.23 -1.58 -0.68 0.00 0.00 175.30 172.58 2ddj s TRP 26 N -3.29 2.41 0.01 -0.53 0.52 -0.63 -0.07 118.94 117.35 2ddj s TRP 26 Ca 0.28 -0.36 -0.10 0.00 0.02 0.00 0.00 56.10 55.93 2ddj s TRP 26 Cb 0.03 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2ddj s TRP 26 CO 0.17 0.10 0.21 0.00 0.02 0.00 0.00 176.95 177.45 2ddj s ALA 27 N -0.76 -0.49 0.11 0.98 0.00 -0.40 0.04 121.76 121.24 2ddj s ALA 27 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 2ddj s ALA 27 Cb -0.10 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 2ddj s ALA 27 CO 0.01 -0.26 0.74 -0.47 0.00 0.00 0.00 175.76 175.79 2ddj s TYR 28 N -1.63 3.83 -0.25 0.00 5.04 -1.26 -1.36 117.35 121.71 2ddj s TYR 28 Ca -0.12 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2ddj s TYR 28 Cb -0.05 -2.75 0.04 0.00 0.35 0.00 0.00 41.96 39.55 2ddj s TYR 28 CO 0.01 0.43 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.45 2ddj s SER 29 N -0.72 4.27 0.31 4.32 0.01 -0.12 -4.89 113.70 116.87 2ddj s SER 29 Ca 0.36 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.62 2ddj s SER 29 Cb -0.22 -1.61 0.51 0.00 0.21 0.00 0.00 66.02 64.91 2ddj s SER 29 CO 0.24 -0.15 1.74 1.55 0.41 0.00 0.00 173.24 177.03 2ddj h PRO 30 N 7.93 0.27 0.00 12.44 0.13 -1.86 0.20 132.00 151.11 2ddj h PRO 30 Ca -0.29 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ddj h PRO 30 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 178.83 2ddj h LEU 31 N 0.23 0.00 -0.86 1.56 3.38 -1.94 -1.07 115.31 116.61 2ddj h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ddj h LEU 31 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ddj h LEU 31 CO 0.05 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.60 2ddj n LEU 32 N -2.35 1.31 -2.34 1.67 4.77 -0.85 -5.00 117.00 114.21 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 0.16 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2ddj n LEU 32 CO 0.17 0.26 -0.14 1.67 -1.33 0.00 0.00 177.39 178.02 2ddj n GLN 33 N -0.11 -2.22 -3.71 3.23 7.27 -0.03 -4.89 117.38 116.92 2ddj n GLN 33 Ca 0.04 0.54 -0.05 0.00 0.07 0.00 0.00 57.00 57.59 2ddj n GLN 33 Cb 0.21 -5.09 -0.02 0.00 2.41 0.00 0.00 30.24 27.76 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 -4.83 1.24 0.63 3.69 0.74 -0.65 -4.56 119.66 115.93 2ddj s GLN 34 Ca 0.00 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 2ddj s GLN 34 Cb 0.00 0.45 0.01 0.00 1.10 0.00 0.00 33.01 34.57 2ddj s GLN 34 CO 0.00 -0.56 0.97 0.00 -0.55 0.00 0.00 175.29 175.15 2ddj s HIS 36 N -3.12 -0.15 0.88 0.00 -3.43 -0.47 -4.88 115.29 104.12 2ddj s HIS 36 Ca 0.55 -0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 54.52 2ddj s HIS 36 Cb -0.11 0.23 0.12 0.00 -1.43 0.00 0.00 32.58 31.39 2ddj s HIS 36 CO 0.47 -0.70 1.10 -1.25 -2.00 0.00 0.00 174.74 172.36 2ddj s PRO 37 N -3.82 1.41 0.25 -0.38 0.04 -1.26 -1.27 135.00 129.97 2ddj s PRO 37 Ca 0.04 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.53 2ddj s PRO 37 Cb 0.02 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2ddj s PRO 37 CO -0.11 -2.09 0.64 -0.59 0.04 0.00 0.00 177.00 174.89 2ddj s PHE 38 N -3.06 -0.13 -0.33 0.56 -0.71 0.89 -4.79 117.98 110.41 2ddj s PHE 38 Ca 0.63 -0.28 -0.10 0.00 -1.04 0.00 0.00 56.93 56.14 2ddj s PHE 38 Cb -0.16 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2ddj s PHE 38 CO 0.56 -1.12 0.17 0.08 -1.34 0.00 0.00 175.22 173.56 2ddj s VAL 39 N -3.91 4.57 0.44 -2.49 1.01 -1.26 -1.17 120.40 117.58 2ddj s VAL 39 Ca 0.12 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2ddj s VAL 39 Cb -0.04 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2ddj s VAL 39 CO 0.04 -0.04 0.46 -0.47 0.00 0.00 0.00 175.10 175.09 2ddj s TYR 40 N 1.59 2.52 -0.03 5.22 5.04 0.04 -4.62 117.35 127.10 2ddj s TYR 40 Ca 0.04 -0.52 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 2ddj s TYR 40 Cb -0.18 -2.20 0.08 0.00 0.35 0.00 0.00 41.96 40.01 2ddj s TYR 40 CO 0.06 -0.32 0.97 0.41 -1.34 0.00 0.00 175.55 175.33 2ddj n GLY 41 N -1.70 2.42 4.04 8.97 0.00 0.08 -0.61 105.19 118.39 2ddj n GLY 41 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.64 1.40 1.24 -0.02 0.00 -1.26 -4.56 105.19 101.35 2ddj n GLY 42 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.07 0.00 -1.17 0.00 4.71 -1.26 -4.81 120.64 116.05 2ddj n GLU 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2ddj n GLU 44 Cb 0.19 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 2ddj n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ddj n GLY 45 N 1.23 1.68 3.99 0.62 0.00 -1.26 -3.64 105.19 107.82 2ddj n GLY 45 Ca 0.14 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 2ddj n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ddj s ASN 46 N -0.89 4.65 0.11 1.61 -0.87 -1.26 -5.01 114.94 113.28 2ddj s ASN 46 Ca 0.00 -0.36 0.26 0.00 -1.57 0.00 0.00 52.86 51.19 2ddj s ASN 46 Cb 0.00 -0.15 0.78 0.00 -0.02 0.00 0.00 41.25 41.86 2ddj s ASN 46 CO 0.00 -1.63 1.67 0.61 -2.57 0.00 0.00 177.10 175.18 2ddj n GLY 47 N -2.64 -1.53 3.21 0.66 0.00 -1.26 -4.31 105.19 99.31 2ddj n GLY 47 Ca 0.14 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 4.10 -3.45 1.61 2.85 -1.26 -4.74 115.26 112.43 2ddj n ASN 48 Ca 0.05 -2.84 -0.10 0.00 -0.11 0.00 0.00 54.58 51.58 2ddj n ASN 48 Cb 0.40 -1.65 -0.09 0.00 1.24 0.00 0.00 39.78 39.68 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2ddj s ASN 49 N 4.14 0.20 0.30 1.20 3.84 -1.25 -4.59 114.94 118.77 2ddj s ASN 49 Ca 0.53 0.40 0.11 0.00 0.21 0.00 0.00 52.86 54.10 2ddj s ASN 49 Cb 0.08 1.10 -0.05 0.00 -0.55 0.00 0.00 41.25 41.83 2ddj s ASN 49 CO 0.02 -0.28 -0.11 -0.36 -2.79 0.00 0.00 177.10 173.58 2ddj s PHE 50 N 2.54 2.42 -0.44 0.43 0.40 0.11 -4.91 117.98 118.53 2ddj s PHE 50 Ca 0.09 -0.36 0.23 0.00 -0.60 0.00 0.00 56.93 56.28 2ddj s PHE 50 Cb -0.14 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.21 2ddj s PHE 50 CO -0.14 0.64 0.98 0.72 0.70 0.00 0.00 175.22 178.12 2ddj n HIS 51 N -0.75 0.44 -3.83 0.36 8.25 -1.26 -1.61 115.22 116.82 2ddj n HIS 51 Ca -0.05 0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2ddj n HIS 51 Cb 0.61 -0.60 0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 -4.40 -0.07 0.07 0.41 1.04 -1.26 -4.91 113.70 104.58 2ddj s SER 52 Ca 0.01 -0.67 -0.33 0.00 0.48 0.00 0.00 55.95 55.44 2ddj s SER 52 Cb 0.13 0.58 -0.19 0.00 0.10 0.00 0.00 66.02 66.64 2ddj s SER 52 CO 0.81 -1.12 1.60 -0.09 0.98 0.00 0.00 173.24 175.42 2ddj h ARG 53 N 2.00 -0.89 -0.24 4.02 9.65 -1.99 -3.00 114.38 123.94 2ddj h ARG 53 Ca -0.27 0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.69 2ddj h ARG 53 Cb 1.23 0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.98 2ddj h ARG 53 CO 0.33 -0.58 -0.14 -1.91 2.80 0.00 0.00 179.97 180.46 2ddj n GLU 54 N -5.48 -0.11 0.03 0.20 0.00 -1.26 -0.26 120.64 113.77 2ddj n GLU 54 Ca -0.14 0.86 0.02 0.00 0.00 0.00 0.00 57.16 57.90 2ddj n GLU 54 Cb 0.37 -1.28 0.36 0.00 0.00 0.00 0.00 31.44 30.89 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2ddj h SER 55 N 0.00 0.41 -0.06 4.31 4.64 -1.96 -1.35 113.55 119.55 2ddj h SER 55 Ca 0.04 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2ddj h SER 55 Cb 0.10 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2ddj h SER 55 CO -0.23 0.45 -0.40 0.00 -0.87 0.00 0.00 176.83 175.79 2ddj h GLU 57 N -0.11 0.78 -0.73 0.00 4.39 -0.23 -1.34 114.58 117.34 2ddj h GLU 57 Ca -0.03 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2ddj h GLU 57 Cb 1.07 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 2ddj h GLU 57 CO 0.08 0.54 0.20 0.22 -1.16 0.00 0.00 179.01 178.90 2ddj h ASP 58 N 0.80 1.08 -0.08 1.42 3.58 -1.18 -2.84 116.42 119.21 2ddj h ASP 58 Ca 0.21 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ddj h ASP 58 Cb -0.05 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.71 2ddj h ASP 58 CO -0.04 1.02 0.05 0.00 -2.88 0.00 0.00 179.24 177.39 2ddj h ALA 59 N 1.10 0.10 -2.31 -0.78 0.00 -0.31 -3.44 119.26 113.62 2ddj h ALA 59 Ca 0.23 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2ddj h ALA 59 Cb 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.94 2ddj h ALA 59 CO -0.00 -0.40 0.43 0.00 0.00 0.00 0.00 179.25 179.28 2ddj s PRO 61 N -2.89 3.40 0.42 0.00 0.04 -1.19 -3.65 135.00 131.13 2ddj s PRO 61 Ca 0.03 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.01 2ddj s PRO 61 Cb -0.01 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 2ddj s PRO 61 CO -0.07 -1.50 0.08 0.08 0.04 0.00 0.00 177.00 175.63 2ddj s VAL 62 N 4.16 0.92 1.17 -0.36 1.01 -1.26 -4.99 120.40 121.06 2ddj s VAL 62 Ca 0.34 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.17 2ddj s VAL 62 Cb -0.11 -2.42 0.27 0.00 0.00 0.00 0.00 36.38 34.12 2ddj s VAL 62 CO 0.22 0.00 1.04 -0.69 0.00 0.00 0.00 175.10 175.67 2ddj s VAL 63 N -3.12 1.79 -0.16 2.92 1.01 -1.26 -4.91 120.40 116.67 2ddj s VAL 63 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2ddj s VAL 63 Cb 0.04 -2.28 -0.13 0.00 0.00 0.00 0.00 36.38 34.01 2ddj s VAL 63 CO 0.12 0.00 0.88 -0.67 0.00 0.00 0.00 175.10 175.44 2ddj n ASP 64 N -4.81 0.38 -4.55 3.32 -0.08 -1.26 -4.81 116.55 104.74 2ddj n ASP 64 Ca 0.07 0.79 -0.34 0.00 -1.51 0.00 0.00 54.79 53.79 2ddj n ASP 64 Cb 0.57 -0.60 -0.04 0.00 2.34 0.00 0.00 41.12 43.39 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 0.94 1.47 0.00 -0.67 3.76 -1.26 -4.81 115.29 114.72 2ddj s HIS 65 Ca 0.65 1.09 -0.10 0.00 -0.15 0.00 0.00 55.06 56.55 2ddj s HIS 65 Cb -0.92 -3.89 -0.13 0.00 1.11 0.00 0.00 32.58 28.75 2ddj s HIS 65 CO 0.46 -2.24 0.85 0.72 -0.85 0.00 0.00 174.74 173.68 2ddj n HIS 66 N 14.30 0.00 -2.27 1.40 -0.00 -1.26 -4.61 115.22 122.78 2ddj n HIS 66 Ca 0.30 -0.20 -0.36 0.00 -0.00 0.00 0.00 57.72 57.45 2ddj n HIS 66 Cb 0.52 -0.52 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 2ddj n HIS 66 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ddj s HIS 67 N 4.28 2.80 -0.36 4.41 -3.43 -1.26 -4.82 115.29 116.90 2ddj s HIS 67 Ca 0.23 1.54 0.05 0.00 -0.80 0.00 0.00 55.06 56.08 2ddj s HIS 67 Cb 0.05 -3.33 0.17 0.00 -1.43 0.00 0.00 32.58 28.04 2ddj s HIS 67 CO 0.12 -1.50 0.49 -1.58 -2.00 0.00 0.00 174.74 170.26 2ddj s HIS 68 N -1.65 -1.07 0.57 0.38 2.46 -1.26 -4.92 115.29 109.80 2ddj s HIS 68 Ca 0.67 -0.06 -0.19 0.00 0.47 0.00 0.00 55.06 55.95 2ddj s HIS 68 Cb -0.26 -0.05 -0.06 0.00 -0.13 0.00 0.00 32.58 32.08 2ddj s HIS 68 CO 0.31 -1.06 0.97 1.58 -2.47 0.00 0.00 174.74 174.07 2ddj n HIS 69 N 4.63 0.86 -0.41 3.88 -0.00 -1.26 -5.05 115.22 117.87 2ddj n HIS 69 Ca 0.08 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 2ddj n HIS 69 Cb 0.51 -2.15 0.00 0.00 -0.00 0.00 0.00 29.99 28.35 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92