#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj s ALA 2 N 0.00 2.90 0.52 0.62 0.00 -1.26 -4.91 121.76 119.63 2ddj s ALA 2 Ca 0.00 0.68 0.35 0.00 0.00 0.00 0.00 51.96 52.99 2ddj s ALA 2 Cb 0.00 -4.02 1.90 0.00 0.00 0.00 0.00 23.12 21.00 2ddj s ALA 2 CO 0.00 -2.55 2.22 0.93 0.00 0.00 0.00 175.76 176.36 2ddj h GLU 3 N 13.66 0.00 -3.44 0.00 4.39 -2.01 -3.40 114.58 123.77 2ddj h GLU 3 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2ddj h GLU 3 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2ddj h GLU 3 CO 0.98 0.03 0.64 0.00 -1.16 0.00 0.00 179.01 179.50 2ddj n ALA 4 N -2.20 0.29 0.15 3.43 0.00 -1.26 -4.74 120.51 116.17 2ddj n ALA 4 Ca -0.02 -0.64 0.06 0.00 0.00 0.00 0.00 53.44 52.84 2ddj n ALA 4 Cb 0.14 -0.29 0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 5.98 0.00 0.00 0.00 4.39 -1.94 -3.41 114.58 119.61 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 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2ddj h GLU 5 CO 0.64 0.27 0.00 0.34 -1.16 0.00 0.00 179.01 179.10 2ddj n PHE 6 N -3.09 -2.13 -1.66 4.33 7.35 -1.26 -4.83 117.46 116.17 2ddj n PHE 6 Ca 0.01 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.47 2ddj n PHE 6 Cb 0.67 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.44 2ddj n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2ddj s THR 7 N -0.79 3.09 0.26 -2.13 2.01 -1.26 -4.92 115.64 111.91 2ddj s THR 7 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 2ddj s THR 7 Cb 0.00 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 2ddj s THR 7 CO 0.00 -0.21 1.13 -0.62 -0.69 0.00 0.00 174.62 174.23 2ddj s ASP 8 N 10.66 7.21 0.28 3.53 -1.08 -1.26 -4.94 116.67 131.07 2ddj s ASP 8 Ca 0.89 2.28 0.01 0.00 -0.52 0.00 0.00 52.55 55.21 2ddj s ASP 8 Cb -0.13 -2.62 0.54 0.00 -1.46 0.00 0.00 42.92 39.24 2ddj s ASP 8 CO 0.12 -0.21 1.83 0.00 0.52 0.00 0.00 175.17 177.44 2ddj h ALA 9 N 4.08 1.49 -0.02 3.66 0.00 -1.90 -0.70 119.26 125.88 2ddj h ALA 9 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ddj h ALA 9 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ddj h ALA 9 CO 0.68 0.23 0.01 0.00 0.00 0.00 0.00 179.25 180.17 2ddj n VAL 11 N -4.50 0.00 -4.15 0.00 0.31 -0.37 -4.32 118.33 105.29 2ddj n VAL 11 Ca -0.03 -0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 63.96 2ddj n VAL 11 Cb 0.11 0.78 -0.08 0.00 -0.91 0.00 0.00 33.84 33.74 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 -2.93 3.69 1.01 7.52 2.96 -0.57 -4.96 118.68 125.40 2ddj s LEU 12 Ca 0.10 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 2ddj s LEU 12 Cb 0.17 -2.23 0.20 0.00 0.50 0.00 0.00 46.19 44.82 2ddj s LEU 12 CO 0.78 0.24 1.09 -2.16 -1.32 0.00 0.00 176.35 174.98 2ddj s PRO 13 N -1.90 0.32 0.54 0.98 0.04 -1.26 -4.83 135.00 128.88 2ddj s PRO 13 Ca 0.24 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 2ddj s PRO 13 Cb -0.12 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2ddj s PRO 13 CO 0.15 -2.81 1.16 0.00 0.04 0.00 0.00 177.00 175.54 2ddj s ALA 14 N -2.92 2.72 -0.06 8.56 0.00 -1.26 -4.74 121.76 124.05 2ddj s ALA 14 Ca 0.66 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.54 2ddj s ALA 14 Cb -0.19 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2ddj s ALA 14 CO 0.58 -0.85 -0.14 0.08 0.00 0.00 0.00 175.76 175.43 2ddj s VAL 15 N -1.68 1.22 -0.06 0.00 1.01 -1.26 -5.03 120.40 114.60 2ddj s VAL 15 Ca 0.72 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2ddj s VAL 15 Cb -0.27 -1.09 -0.30 0.00 0.00 0.00 0.00 36.38 34.72 2ddj s VAL 15 CO 0.30 0.37 0.72 1.56 0.00 0.00 0.00 175.10 178.05 2ddj h GLN 16 N 6.75 0.34 0.00 2.72 4.20 -1.90 -3.44 115.11 123.78 2ddj h GLN 16 Ca -0.31 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 57.83 2ddj h GLN 16 Cb 1.19 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2ddj h GLN 16 CO 0.48 1.27 0.00 0.41 -0.67 0.00 0.00 178.83 180.32 2ddj n GLY 17 N 1.75 1.06 0.01 3.46 0.00 -1.25 -0.32 105.19 109.90 2ddj n GLY 17 Ca -0.21 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 43.85 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 0.73 0.01 -0.73 1.61 -0.04 -1.26 -4.87 135.00 130.46 2ddj n PRO 18 Ca 0.00 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2ddj n PRO 18 Cb 0.00 -1.52 0.09 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.33 0.27 -1.75 0.00 3.00 -1.26 -4.97 116.66 109.62 2ddj n ARG 20 Ca 0.07 -0.52 -0.31 0.00 -0.01 0.00 0.00 57.85 57.08 2ddj n ARG 20 Cb 0.24 -0.73 0.03 0.00 0.00 0.00 0.00 32.46 32.00 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 -0.18 1.68 -0.06 -0.13 0.00 -1.26 -5.07 107.32 102.30 2ddj s GLY 21 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 2ddj s GLY 21 CO 0.00 0.29 -0.02 -0.98 0.00 0.00 0.00 173.10 172.39 2ddj s TRP 22 N -3.09 0.72 -0.08 1.90 0.23 -1.26 -4.21 118.94 113.15 2ddj s TRP 22 Ca 0.57 -0.21 0.00 0.00 -2.03 0.00 0.00 56.10 54.43 2ddj s TRP 22 Cb -0.12 -0.75 0.02 0.00 0.03 0.00 0.00 33.47 32.65 2ddj s TRP 22 CO 0.54 -0.27 -0.05 -2.00 0.96 0.00 0.00 176.95 176.12 2ddj s GLU 23 N 1.47 1.13 0.20 4.98 2.56 0.18 -4.98 118.70 124.24 2ddj s GLU 23 Ca -0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 54.97 54.50 2ddj s GLU 23 Cb -0.13 -1.20 -0.09 0.00 2.00 0.00 0.00 34.13 34.71 2ddj s GLU 23 CO -0.03 -0.18 1.33 -1.25 -0.56 0.00 0.00 175.26 174.57 2ddj s PRO 24 N 1.40 4.37 0.30 4.30 0.04 -1.26 -0.59 135.00 143.57 2ddj s PRO 24 Ca -0.02 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.17 2ddj s PRO 24 Cb -0.13 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 2ddj s PRO 24 CO -0.03 -0.28 0.23 0.54 0.04 0.00 0.00 177.00 177.50 2ddj n ARG 25 N 2.61 0.40 -5.06 4.56 5.12 -0.39 -4.89 116.66 119.02 2ddj n ARG 25 Ca 0.06 -2.96 -0.28 0.00 -1.93 0.00 0.00 57.85 52.74 2ddj n ARG 25 Cb 0.42 2.29 -0.16 0.00 -1.16 0.00 0.00 32.46 33.86 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 -3.15 1.95 0.00 -1.55 0.52 -0.09 -0.27 118.94 116.35 2ddj s TRP 26 Ca 0.32 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.01 2ddj s TRP 26 Cb 0.02 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2ddj s TRP 26 CO 0.23 -0.06 0.05 0.00 0.02 0.00 0.00 176.95 177.19 2ddj s ALA 27 N -0.43 -0.10 0.21 0.98 0.00 -0.51 -0.10 121.76 121.82 2ddj s ALA 27 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2ddj s ALA 27 Cb -0.09 0.07 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 2ddj s ALA 27 CO -0.00 -0.14 1.00 -0.47 0.00 0.00 0.00 175.76 176.15 2ddj s TYR 28 N -1.04 3.81 -0.25 0.00 5.04 -1.26 -1.63 117.35 122.02 2ddj s TYR 28 Ca -0.11 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 2ddj s TYR 28 Cb -0.07 -3.10 0.04 0.00 0.35 0.00 0.00 41.96 39.18 2ddj s TYR 28 CO 0.00 0.04 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.05 2ddj s SER 29 N -0.71 4.31 0.29 4.32 0.01 0.07 -4.54 113.70 117.44 2ddj s SER 29 Ca 0.44 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.68 2ddj s SER 29 Cb -0.27 -1.62 0.44 0.00 0.21 0.00 0.00 66.02 64.78 2ddj s SER 29 CO 0.34 -0.16 1.69 1.55 0.41 0.00 0.00 173.24 177.07 2ddj h PRO 30 N 7.93 0.26 0.00 12.44 0.13 -1.82 0.67 132.00 151.61 2ddj h PRO 30 Ca -0.28 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2ddj h PRO 30 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.64 0.00 1.28 -0.23 0.00 0.00 178.00 180.23 2ddj n LEU 31 N -4.03 0.58 -0.21 1.56 4.77 -1.26 -1.24 117.00 117.17 2ddj n LEU 31 Ca -0.01 0.69 0.04 0.00 -0.03 0.00 0.00 56.01 56.70 2ddj n LEU 31 Cb 0.48 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2ddj n LEU 31 CO 0.42 -0.70 0.23 0.18 -1.33 0.00 0.00 177.39 176.20 2ddj n LEU 32 N -2.19 1.20 -1.39 2.23 4.77 -0.82 -5.00 117.00 115.81 2ddj n LEU 32 Ca 0.01 -0.81 -0.15 0.00 -0.03 0.00 0.00 56.01 55.03 2ddj n LEU 32 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2ddj n LEU 32 CO 0.15 0.25 -0.14 1.67 -1.33 0.00 0.00 177.39 177.98 2ddj n GLN 33 N -0.15 -1.36 -3.76 3.23 7.27 0.12 -4.89 117.38 117.83 2ddj n GLN 33 Ca 0.04 0.88 -0.09 0.00 0.07 0.00 0.00 57.00 57.90 2ddj n GLN 33 Cb 0.18 -5.15 -0.03 0.00 2.41 0.00 0.00 30.24 27.65 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 -3.22 1.58 0.53 3.69 0.74 -0.52 -4.52 119.66 117.92 2ddj s GLN 34 Ca 0.00 -0.89 -0.09 0.00 0.05 0.00 0.00 55.36 54.43 2ddj s GLN 34 Cb 0.00 0.57 -0.04 0.00 1.10 0.00 0.00 33.01 34.64 2ddj s GLN 34 CO 0.00 -0.70 0.89 0.00 -0.55 0.00 0.00 175.29 174.93 2ddj s HIS 36 N -2.85 -0.19 0.85 0.00 -3.43 -0.65 -4.90 115.29 104.12 2ddj s HIS 36 Ca 0.52 -0.06 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 2ddj s HIS 36 Cb -0.11 0.22 0.10 0.00 -1.43 0.00 0.00 32.58 31.37 2ddj s HIS 36 CO 0.45 -0.65 1.09 -1.25 -2.00 0.00 0.00 174.74 172.39 2ddj s PRO 37 N -3.44 1.66 0.23 -0.38 0.04 -1.26 -1.42 135.00 130.42 2ddj s PRO 37 Ca 0.01 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 2ddj s PRO 37 Cb 0.01 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.75 2ddj s PRO 37 CO -0.09 -1.99 0.68 -0.59 0.04 0.00 0.00 177.00 175.05 2ddj s PHE 38 N -2.94 -0.33 -0.37 0.56 -0.71 0.63 -4.81 117.98 110.01 2ddj s PHE 38 Ca 0.62 -0.03 -0.21 0.00 -1.04 0.00 0.00 56.93 56.27 2ddj s PHE 38 Cb -0.17 0.65 0.01 0.00 -1.21 0.00 0.00 43.02 42.29 2ddj s PHE 38 CO 0.56 -1.07 0.69 0.08 -1.34 0.00 0.00 175.22 174.14 2ddj s VAL 39 N -3.82 4.83 0.37 -2.49 1.01 -1.26 -1.27 120.40 117.76 2ddj s VAL 39 Ca 0.07 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.73 2ddj s VAL 39 Cb -0.04 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2ddj s VAL 39 CO -0.01 -0.40 0.47 -0.47 0.00 0.00 0.00 175.10 174.69 2ddj s TYR 40 N 2.86 2.97 -1.62 5.22 5.04 0.25 -4.70 117.35 127.37 2ddj s TYR 40 Ca 0.26 -0.30 0.15 0.00 -2.44 0.00 0.00 57.07 54.74 2ddj s TYR 40 Cb -0.14 -2.09 0.28 0.00 0.35 0.00 0.00 41.96 40.36 2ddj s TYR 40 CO 0.16 -0.11 1.18 0.41 -1.34 0.00 0.00 175.55 175.85 2ddj n GLY 41 N -1.66 1.41 4.06 8.97 0.00 0.57 -0.65 105.19 117.90 2ddj n GLY 41 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.90 1.88 1.13 -0.02 0.00 -1.26 -4.44 105.19 103.39 2ddj n GLY 42 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.69 0.00 -3.88 0.00 4.71 -1.26 -4.81 120.64 113.72 2ddj n GLU 44 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.12 2ddj n GLU 44 Cb 0.17 -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 0.13 0.41 0.62 0.00 -1.26 -3.81 107.32 103.15 2ddj s GLY 45 Ca 0.55 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.77 2ddj s GLY 45 CO 0.39 -0.23 0.56 0.70 0.00 0.00 0.00 173.10 174.51 2ddj n ASN 46 N -0.67 0.87 0.27 1.64 4.13 -1.26 -5.00 115.26 115.24 2ddj n ASN 46 Ca -0.04 -1.71 0.15 0.00 1.68 0.00 0.00 54.58 54.66 2ddj n ASN 46 Cb 0.60 -0.35 0.74 0.00 -1.54 0.00 0.00 39.78 39.23 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 -0.27 0.00 -6.03 7.41 0.00 -1.95 -3.27 103.07 98.96 2ddj h GLY 47 Ca -0.18 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.43 2ddj h GLY 47 CO 0.21 0.00 2.98 -2.01 0.00 0.00 0.00 176.54 177.72 2ddj n ASN 48 N -3.33 4.32 -3.50 0.19 5.15 -1.26 -4.74 115.26 112.09 2ddj n ASN 48 Ca -0.01 -2.88 -0.14 0.00 -0.60 0.00 0.00 54.58 50.96 2ddj n ASN 48 Cb 0.27 -1.62 -0.11 0.00 -0.53 0.00 0.00 39.78 37.78 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 2.73 0.71 0.16 1.20 3.84 -1.24 -4.23 114.94 118.11 2ddj s ASN 49 Ca 0.47 0.17 0.10 0.00 0.21 0.00 0.00 52.86 53.80 2ddj s ASN 49 Cb 0.13 0.73 -0.04 0.00 -0.55 0.00 0.00 41.25 41.52 2ddj s ASN 49 CO -0.07 -0.29 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.42 2ddj s PHE 50 N 2.43 2.51 -1.56 0.43 0.08 0.86 -4.95 117.98 117.78 2ddj s PHE 50 Ca 0.07 -0.27 0.22 0.00 0.12 0.00 0.00 56.93 57.07 2ddj s PHE 50 Cb -0.15 -1.27 -0.09 0.00 -0.57 0.00 0.00 43.02 40.94 2ddj s PHE 50 CO -0.12 0.47 1.01 0.72 -0.10 0.00 0.00 175.22 177.20 2ddj n HIS 51 N 0.36 0.00 -3.81 0.36 8.25 -1.26 -0.91 115.22 118.21 2ddj n HIS 51 Ca -0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.25 2ddj n HIS 51 Cb 0.55 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.72 -0.30 0.05 0.41 1.04 -1.26 -4.89 113.70 106.03 2ddj s SER 52 Ca 0.14 -0.54 -0.34 0.00 0.48 0.00 0.00 55.95 55.69 2ddj s SER 52 Cb 0.17 0.71 -0.19 0.00 0.10 0.00 0.00 66.02 66.81 2ddj s SER 52 CO 0.71 -1.29 1.48 -0.09 0.98 0.00 0.00 173.24 175.03 2ddj h ARG 53 N 2.01 -1.06 -0.27 4.02 9.65 -1.99 -2.96 114.38 123.78 2ddj h ARG 53 Ca -0.21 0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2ddj h ARG 53 Cb 1.26 0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 30.05 2ddj h ARG 53 CO 0.25 -0.70 -0.16 -1.91 2.80 0.00 0.00 179.97 180.26 2ddj n GLU 54 N -5.54 -0.12 0.01 0.20 2.13 -1.26 -0.61 120.64 115.45 2ddj n GLU 54 Ca -0.15 0.92 0.05 0.00 0.66 0.00 0.00 57.16 58.65 2ddj n GLU 54 Cb 0.44 -1.37 0.45 0.00 0.27 0.00 0.00 31.44 31.23 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ddj h SER 55 N 0.00 0.43 -0.08 4.31 4.64 -1.97 -1.59 113.55 119.29 2ddj h SER 55 Ca 0.04 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 2ddj h SER 55 Cb 0.11 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2ddj h SER 55 CO -0.25 0.30 -0.40 0.00 -0.87 0.00 0.00 176.83 175.61 2ddj h GLU 57 N -0.03 0.77 -0.57 0.00 4.39 -0.17 -0.02 114.58 118.95 2ddj h GLU 57 Ca -0.03 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2ddj h GLU 57 Cb 1.05 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 2ddj h GLU 57 CO 0.08 0.51 0.08 0.22 -1.16 0.00 0.00 179.01 178.75 2ddj h ASP 58 N 0.80 0.91 -0.85 1.42 3.58 -1.25 -2.19 116.42 118.84 2ddj h ASP 58 Ca 0.26 -0.26 0.18 0.00 0.42 0.00 0.00 57.03 57.63 2ddj h ASP 58 Cb 0.05 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 40.79 2ddj h ASP 58 CO -0.07 0.95 0.57 0.00 -2.88 0.00 0.00 179.24 177.80 2ddj h ALA 59 N 1.00 2.18 0.00 -0.78 0.00 -0.07 -3.44 119.26 118.16 2ddj h ALA 59 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ddj h ALA 59 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ddj h ALA 59 CO 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.83 2ddj s PRO 61 N -2.00 4.21 0.00 0.00 0.04 -1.15 -3.80 135.00 132.30 2ddj s PRO 61 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2ddj s PRO 61 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2ddj s PRO 61 CO 0.00 -0.22 0.00 0.28 0.04 0.00 0.00 177.00 177.10 2ddj n VAL 62 N 4.66 0.00 -1.69 -0.36 0.31 -1.26 -4.89 118.33 115.10 2ddj n VAL 62 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 2ddj n VAL 62 Cb 0.50 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 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 2.39 -1.67 2.52 0.31 -1.26 -4.80 118.33 115.82 2ddj n VAL 63 Ca 0.00 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 2ddj n VAL 63 Cb 0.00 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 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 0.41 4.04 -4.56 4.52 2.03 -1.26 -4.84 116.55 116.88 2ddj n ASP 64 Ca 0.07 0.92 -0.41 0.00 0.52 0.00 0.00 54.79 55.88 2ddj n ASP 64 Cb 0.38 -1.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.25 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 7.22 1.71 -0.02 -0.67 8.25 -1.26 -4.70 115.22 125.75 2ddj n HIS 65 Ca 0.20 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2ddj n HIS 65 Cb 0.38 -2.67 0.00 0.00 1.12 0.00 0.00 29.99 28.82 2ddj n HIS 65 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddj n HIS 66 N 13.01 0.00 -1.67 4.41 1.44 -1.26 -4.88 115.22 126.26 2ddj n HIS 66 Ca 0.34 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.64 2ddj n HIS 66 Cb 0.45 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.46 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ddj n HIS 67 N 1.03 1.93 -1.15 -1.40 8.25 -1.26 -4.81 115.22 117.80 2ddj n HIS 67 Ca 0.00 0.54 -0.35 0.00 -0.26 0.00 0.00 57.72 57.65 2ddj n HIS 67 Cb 0.00 -2.35 -0.09 0.00 1.12 0.00 0.00 29.99 28.67 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 -0.07 1.13 -1.63 4.41 1.44 -1.26 -4.92 115.22 114.32 2ddj n HIS 68 Ca 0.07 -0.93 -0.29 0.00 -2.01 0.00 0.00 57.72 54.56 2ddj n HIS 68 Cb 0.38 -1.70 0.12 0.00 0.12 0.00 0.00 29.99 28.91 2ddj n HIS 68 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ddj s HIS 69 N 9.36 2.60 -2.00 -1.40 -3.43 -1.26 -5.24 115.29 113.92 2ddj s HIS 69 Ca 0.69 0.82 0.12 0.00 -0.80 0.00 0.00 55.06 55.88 2ddj s HIS 69 Cb 0.08 -3.43 0.72 0.00 -1.43 0.00 0.00 32.58 28.52 2ddj s HIS 69 CO 0.22 -2.23 1.15 1.58 -2.00 0.00 0.00 174.74 173.46