#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 -1.13 0.43 0.62 0.00 0.01 -4.85 121.76 116.84 2ddj s ALA 2 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.72 2ddj s ALA 2 Cb 0.00 -2.22 0.31 0.00 0.00 0.00 0.00 23.12 21.21 2ddj s ALA 2 CO 0.00 -2.04 0.78 0.39 0.00 0.00 0.00 175.76 174.89 2ddj n GLU 3 N 4.63 0.01 -1.48 0.00 -0.58 -1.26 -4.35 120.64 117.62 2ddj n GLU 3 Ca 0.08 0.66 -0.13 0.00 -0.42 0.00 0.00 57.16 57.36 2ddj n GLU 3 Cb 0.49 -1.72 -0.10 0.00 -0.57 0.00 0.00 31.44 29.54 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ddj n ALA 4 N -1.56 0.39 0.12 0.62 0.00 -1.26 -4.66 120.51 114.16 2ddj n ALA 4 Ca 0.08 -1.60 0.05 0.00 0.00 0.00 0.00 53.44 51.97 2ddj n ALA 4 Cb 0.86 -2.78 0.02 0.00 0.00 0.00 0.00 19.45 17.55 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 11.53 0.00 0.00 0.00 4.39 -1.98 -3.43 114.58 125.09 2ddj h GLU 5 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 2ddj h GLU 5 Cb 1.02 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.85 2ddj h GLU 5 CO 1.08 0.26 -0.14 0.34 -1.16 0.00 0.00 179.01 179.39 2ddj n PHE 6 N -3.02 -3.55 -1.64 4.33 7.35 -1.26 -4.82 117.46 114.85 2ddj n PHE 6 Ca -0.01 -0.70 -0.23 0.00 -0.76 0.00 0.00 57.45 55.75 2ddj n PHE 6 Cb 0.69 -1.06 -0.05 0.00 0.35 0.00 0.00 39.48 39.40 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 -1.96 3.07 0.33 -2.13 2.01 -1.26 -4.91 115.64 110.78 2ddj s THR 7 Ca 0.57 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 2ddj s THR 7 Cb -0.10 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 2ddj s THR 7 CO 0.48 -0.16 1.14 -0.62 -0.69 0.00 0.00 174.62 174.77 2ddj s ASP 8 N 10.85 6.97 0.22 3.53 2.15 -1.26 -4.95 116.67 134.18 2ddj s ASP 8 Ca 0.90 2.33 -0.07 0.00 0.43 0.00 0.00 52.55 56.14 2ddj s ASP 8 Cb -0.13 -2.62 0.35 0.00 -0.30 0.00 0.00 42.92 40.22 2ddj s ASP 8 CO 0.13 -0.36 1.74 0.00 -0.17 0.00 0.00 175.17 176.51 2ddj h ALA 9 N 3.34 0.90 0.00 3.66 0.00 -1.91 -0.74 119.26 124.51 2ddj h ALA 9 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ddj h ALA 9 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ddj h ALA 9 CO 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2ddj n VAL 11 N -2.47 0.02 -4.00 0.00 0.31 -0.38 -4.29 118.33 107.52 2ddj n VAL 11 Ca 0.01 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 2ddj n VAL 11 Cb 0.24 0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 33.78 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 -3.14 4.07 1.00 7.52 2.96 -0.61 -4.97 118.68 125.50 2ddj s LEU 12 Ca 0.08 0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 2ddj s LEU 12 Cb 0.16 -2.61 0.19 0.00 0.50 0.00 0.00 46.19 44.43 2ddj s LEU 12 CO 0.81 0.20 1.08 -2.16 -1.32 0.00 0.00 176.35 174.97 2ddj s PRO 13 N -2.23 0.44 -0.22 0.98 0.04 -1.26 -4.86 135.00 127.89 2ddj s PRO 13 Ca 0.29 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 2ddj s PRO 13 Cb -0.12 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2ddj s PRO 13 CO 0.22 -2.76 1.74 0.00 0.04 0.00 0.00 177.00 176.24 2ddj s ALA 14 N -2.88 3.16 -0.23 8.56 0.00 -1.26 -4.77 121.76 124.34 2ddj s ALA 14 Ca 0.65 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 2ddj s ALA 14 Cb -0.19 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 2ddj s ALA 14 CO 0.58 -2.14 0.49 0.08 0.00 0.00 0.00 175.76 174.78 2ddj s VAL 15 N 5.77 5.11 -0.15 0.00 1.01 -1.26 -4.95 120.40 125.94 2ddj s VAL 15 Ca 0.77 0.86 0.17 0.00 0.00 0.00 0.00 61.98 63.78 2ddj s VAL 15 Cb -0.27 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.44 2ddj s VAL 15 CO 0.32 0.15 1.53 1.56 0.00 0.00 0.00 175.10 178.66 2ddj h GLN 16 N 7.73 0.00 0.00 2.72 4.20 -1.93 -3.44 115.11 124.40 2ddj h GLN 16 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2ddj h GLN 16 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2ddj h GLN 16 CO 0.72 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 179.68 2ddj n GLY 17 N 1.03 -1.30 0.10 3.46 0.00 -1.26 -0.25 105.19 106.98 2ddj n GLY 17 Ca 0.02 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 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 -7.25 1.61 0.13 -1.90 -3.46 132.00 121.13 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 0.64 0.36 0.00 -0.23 0.00 0.00 178.00 178.76 2ddj n ARG 20 N -2.44 2.15 -1.44 0.00 3.00 -1.26 -4.51 116.66 112.16 2ddj n ARG 20 Ca 0.05 -1.99 -0.30 0.00 -0.01 0.00 0.00 57.85 55.60 2ddj n ARG 20 Cb 0.54 -1.42 0.10 0.00 0.00 0.00 0.00 32.46 31.68 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 -1.45 1.63 -0.03 -0.13 0.00 -1.26 -5.05 107.32 101.03 2ddj s GLY 21 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.92 2ddj s GLY 21 CO 0.27 0.32 -0.01 -0.98 0.00 0.00 0.00 173.10 172.70 2ddj s TRP 22 N -3.07 0.36 -0.08 1.90 0.23 -1.26 -4.16 118.94 112.87 2ddj s TRP 22 Ca 0.61 -0.03 -0.01 0.00 -2.03 0.00 0.00 56.10 54.64 2ddj s TRP 22 Cb -0.16 -0.41 0.03 0.00 0.03 0.00 0.00 33.47 32.96 2ddj s TRP 22 CO 0.55 -0.12 -0.00 -2.00 0.96 0.00 0.00 176.95 176.34 2ddj s GLU 23 N 0.86 0.66 0.08 4.98 2.56 0.10 -4.97 118.70 122.98 2ddj s GLU 23 Ca -0.09 0.07 -0.31 0.00 0.00 0.00 0.00 54.97 54.64 2ddj s GLU 23 Cb -0.12 -1.04 -0.07 0.00 2.00 0.00 0.00 34.13 34.89 2ddj s GLU 23 CO -0.01 -0.31 1.43 -1.25 -0.56 0.00 0.00 175.26 174.56 2ddj s PRO 24 N 1.95 4.29 0.40 4.30 0.04 -1.26 -0.75 135.00 143.97 2ddj s PRO 24 Ca 0.05 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.23 2ddj s PRO 24 Cb -0.12 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2ddj s PRO 24 CO -0.05 -0.52 0.17 1.03 0.04 0.00 0.00 177.00 177.66 2ddj s ARG 25 N 1.62 1.91 0.04 4.56 1.81 -0.30 -4.92 118.95 123.67 2ddj s ARG 25 Ca 0.66 -2.16 0.07 0.00 -1.72 0.00 0.00 55.73 52.58 2ddj s ARG 25 Cb -0.36 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 33.71 2ddj s ARG 25 CO 0.30 -0.53 -0.18 -1.58 -0.68 0.00 0.00 175.30 172.62 2ddj s TRP 26 N -3.25 2.55 -0.01 -0.53 0.52 -0.29 -0.13 118.94 117.79 2ddj s TRP 26 Ca 0.27 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 2ddj s TRP 26 Cb 0.02 -1.47 -0.00 0.00 -1.15 0.00 0.00 33.47 30.87 2ddj s TRP 26 CO 0.17 0.24 0.09 0.00 0.02 0.00 0.00 176.95 177.47 2ddj s ALA 27 N -0.90 -0.20 0.19 0.98 0.00 -0.44 -0.16 121.76 121.23 2ddj s ALA 27 Ca 0.14 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 2ddj s ALA 27 Cb -0.10 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 2ddj s ALA 27 CO 0.05 -0.15 0.96 -0.47 0.00 0.00 0.00 175.76 176.15 2ddj s TYR 28 N -0.96 3.88 -0.25 0.00 5.04 -1.26 -1.48 117.35 122.32 2ddj s TYR 28 Ca -0.10 1.85 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 2ddj s TYR 28 Cb -0.06 -3.04 0.04 0.00 0.35 0.00 0.00 41.96 39.25 2ddj s TYR 28 CO 0.01 0.26 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.27 2ddj s SER 29 N -0.64 4.31 0.31 4.32 0.01 0.13 -4.62 113.70 117.51 2ddj s SER 29 Ca 0.44 -1.07 0.08 0.00 1.31 0.00 0.00 55.95 56.71 2ddj s SER 29 Cb -0.25 -1.62 0.49 0.00 0.21 0.00 0.00 66.02 64.85 2ddj s SER 29 CO 0.32 -0.15 1.71 1.55 0.41 0.00 0.00 173.24 177.07 2ddj h PRO 30 N 7.93 0.14 0.00 12.44 0.13 -1.83 0.16 132.00 150.97 2ddj h PRO 30 Ca -0.28 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.56 0.00 -0.07 -0.23 0.00 0.00 178.00 178.81 2ddj h LEU 31 N 0.12 0.00 -0.77 1.56 4.07 -1.94 -1.22 115.31 117.13 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 0.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2ddj h LEU 31 CO 0.06 0.00 -0.10 0.18 -1.08 0.00 0.00 178.44 177.51 2ddj n LEU 32 N -2.36 1.03 -1.86 1.67 4.77 -0.82 -5.00 117.00 114.43 2ddj n LEU 32 Ca 0.00 -0.81 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2ddj n LEU 32 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2ddj n LEU 32 CO 0.16 0.22 -0.13 1.67 -1.33 0.00 0.00 177.39 177.97 2ddj n GLN 33 N -0.22 -1.72 -3.82 3.23 7.27 0.44 -4.90 117.38 117.66 2ddj n GLN 33 Ca 0.03 0.65 -0.09 0.00 0.07 0.00 0.00 57.00 57.66 2ddj n GLN 33 Cb 0.13 -5.05 -0.03 0.00 2.41 0.00 0.00 30.24 27.70 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 -3.96 1.55 0.25 3.69 2.00 -0.58 -4.66 119.66 117.95 2ddj s GLN 34 Ca 0.00 -0.97 -0.11 0.00 -2.00 0.00 0.00 55.36 52.28 2ddj s GLN 34 Cb 0.00 0.54 -0.08 0.00 0.80 0.00 0.00 33.01 34.28 2ddj s GLN 34 CO 0.00 -0.67 0.60 0.00 -0.50 0.00 0.00 175.29 174.72 2ddj s HIS 36 N -1.85 0.20 0.91 0.00 -3.43 -0.55 -4.95 115.29 105.62 2ddj s HIS 36 Ca 0.49 -0.57 -0.11 0.00 -0.80 0.00 0.00 55.06 54.07 2ddj s HIS 36 Cb -0.11 -0.13 0.14 0.00 -1.43 0.00 0.00 32.58 31.05 2ddj s HIS 36 CO 0.20 -0.45 1.11 -2.14 -2.00 0.00 0.00 174.74 171.46 2ddj s PRO 37 N -3.26 1.11 0.22 -0.38 0.02 -1.26 -1.33 135.00 130.13 2ddj s PRO 37 Ca 0.00 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.07 2ddj s PRO 37 Cb 0.02 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.82 2ddj s PRO 37 CO -0.08 -2.47 0.64 -0.59 -0.33 0.00 0.00 177.00 174.18 2ddj s PHE 38 N -2.73 -0.29 -0.37 6.54 -0.71 0.82 -4.79 117.98 116.45 2ddj s PHE 38 Ca 0.65 -0.06 -0.18 0.00 -1.04 0.00 0.00 56.93 56.31 2ddj s PHE 38 Cb -0.21 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.20 2ddj s PHE 38 CO 0.58 -1.05 0.48 0.08 -1.34 0.00 0.00 175.22 173.98 2ddj s VAL 39 N -3.85 5.04 0.27 -2.49 1.01 -1.26 -1.14 120.40 117.97 2ddj s VAL 39 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2ddj s VAL 39 Cb -0.03 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2ddj s VAL 39 CO -0.02 -0.25 0.33 -0.47 0.00 0.00 0.00 175.10 174.70 2ddj s TYR 40 N 2.31 3.27 -2.56 5.22 5.04 0.07 -4.71 117.35 126.00 2ddj s TYR 40 Ca 0.16 -0.09 0.23 0.00 -2.44 0.00 0.00 57.07 54.93 2ddj s TYR 40 Cb -0.16 -1.61 0.46 0.00 0.35 0.00 0.00 41.96 41.00 2ddj s TYR 40 CO 0.13 0.37 1.42 0.41 -1.34 0.00 0.00 175.55 176.54 2ddj n GLY 41 N -1.39 1.24 4.05 8.97 0.00 0.66 -0.72 105.19 117.99 2ddj n GLY 41 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.39 1.14 1.15 -0.02 0.00 -1.26 -4.27 105.19 103.31 2ddj n GLY 42 Ca 0.18 0.00 -0.09 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 -1.84 0.00 -3.83 0.00 4.71 -1.26 -4.84 120.64 113.59 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 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 -0.27 0.07 0.50 0.62 0.00 -1.26 -4.00 107.32 102.98 2ddj s GLY 45 Ca 0.55 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.90 2ddj s GLY 45 CO 0.39 0.19 0.68 0.70 0.00 0.00 0.00 173.10 175.06 2ddj n ASN 46 N -0.89 1.05 0.10 1.64 4.13 -1.26 -5.00 115.26 115.03 2ddj n ASN 46 Ca -0.06 -1.86 0.11 0.00 1.68 0.00 0.00 54.58 54.45 2ddj n ASN 46 Cb 0.60 -0.43 0.44 0.00 -1.54 0.00 0.00 39.78 38.85 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 -0.36 -1.21 2.79 7.41 0.00 -1.26 -3.90 105.19 108.65 2ddj n GLY 47 Ca 0.12 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 4.31 -3.43 1.61 5.15 -1.26 -4.75 115.26 114.85 2ddj n ASN 48 Ca 0.03 -2.94 -0.07 0.00 -0.60 0.00 0.00 54.58 50.99 2ddj n ASN 48 Cb 0.22 -1.60 -0.08 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 2.37 -0.10 0.23 1.20 3.84 -1.25 -4.08 114.94 117.16 2ddj s ASN 49 Ca 0.44 0.55 0.09 0.00 0.21 0.00 0.00 52.86 54.16 2ddj s ASN 49 Cb 0.12 1.31 -0.05 0.00 -0.55 0.00 0.00 41.25 42.09 2ddj s ASN 49 CO -0.05 -0.27 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.46 2ddj s PHE 50 N 2.60 1.94 -0.63 0.43 0.08 0.78 -4.95 117.98 118.24 2ddj s PHE 50 Ca 0.09 -0.48 0.23 0.00 0.12 0.00 0.00 56.93 56.89 2ddj s PHE 50 Cb -0.14 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.51 2ddj s PHE 50 CO -0.15 0.50 1.05 0.72 -0.10 0.00 0.00 175.22 177.23 2ddj n HIS 51 N -0.47 0.27 -3.82 0.36 8.25 -1.26 -1.14 115.22 117.41 2ddj n HIS 51 Ca -0.07 0.08 -0.05 0.00 -0.26 0.00 0.00 57.72 57.42 2ddj n HIS 51 Cb 0.60 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.91 -0.16 0.11 0.41 1.04 -1.26 -4.86 113.70 105.06 2ddj s SER 52 Ca 0.04 -0.62 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 2ddj s SER 52 Cb 0.14 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.83 2ddj s SER 52 CO 0.80 -1.19 1.66 -0.09 0.98 0.00 0.00 173.24 175.40 2ddj h ARG 53 N 2.00 0.36 -0.10 4.02 9.65 -1.98 -2.92 114.38 125.40 2ddj h ARG 53 Ca -0.24 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 2ddj h ARG 53 Cb 1.24 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2ddj h ARG 53 CO 0.28 0.38 -0.18 1.49 2.80 0.00 0.00 179.97 184.74 2ddj h GLU 54 N 0.25 -0.14 -0.37 0.20 4.81 -1.98 0.11 114.58 117.47 2ddj h GLU 54 Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2ddj h GLU 54 Cb 0.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2ddj h GLU 54 CO -0.01 -0.09 0.19 0.66 -0.73 0.00 0.00 179.01 179.03 2ddj h SER 55 N -0.15 0.44 -0.19 1.04 4.64 -1.96 -0.19 113.55 117.20 2ddj h SER 55 Ca 0.02 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2ddj h SER 55 Cb 0.20 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2ddj h SER 55 CO -0.17 0.37 -0.09 0.00 -0.87 0.00 0.00 176.83 176.06 2ddj h GLU 57 N 0.08 0.50 -0.78 0.00 4.39 0.10 -1.15 114.58 117.73 2ddj h GLU 57 Ca 0.04 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2ddj h GLU 57 Cb 0.57 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2ddj h GLU 57 CO 0.03 0.56 0.44 0.22 -1.16 0.00 0.00 179.01 179.10 2ddj h ASP 58 N 0.48 0.96 -0.29 1.42 3.58 -0.97 -2.15 116.42 119.46 2ddj h ASP 58 Ca 0.10 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2ddj h ASP 58 Cb 0.38 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2ddj h ASP 58 CO 0.02 0.77 0.18 0.00 -2.88 0.00 0.00 179.24 177.33 2ddj h ALA 59 N 1.23 0.36 -1.62 -0.78 0.00 -0.29 -3.41 119.26 114.75 2ddj h ALA 59 Ca 0.27 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2ddj h ALA 59 Cb 0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.47 2ddj h ALA 59 CO -0.05 -0.15 0.56 0.00 0.00 0.00 0.00 179.25 179.61 2ddj s PRO 61 N -1.34 3.39 0.00 0.00 0.04 -1.09 -3.70 135.00 132.30 2ddj s PRO 61 Ca -0.01 -1.97 0.00 0.00 0.04 0.00 0.00 61.00 59.06 2ddj s PRO 61 Cb -0.01 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2ddj s PRO 61 CO 0.00 -1.44 0.00 0.28 0.04 0.00 0.00 177.00 175.88 2ddj n VAL 62 N 4.79 0.00 -1.60 -0.36 0.31 -1.23 -4.98 118.33 115.26 2ddj n VAL 62 Ca 0.06 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.91 2ddj n VAL 62 Cb 0.45 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.70 -2.07 2.52 0.31 -1.26 -4.89 118.33 113.64 2ddj n VAL 63 Ca 0.00 -0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2ddj n VAL 63 Cb 0.00 -0.96 0.03 0.00 -0.91 0.00 0.00 33.84 32.00 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ddj s ASP 64 N 0.17 5.33 0.00 4.52 2.15 -1.26 -4.71 116.67 122.87 2ddj s ASP 64 Ca 0.75 2.31 0.00 0.00 0.43 0.00 0.00 52.55 56.03 2ddj s ASP 64 Cb -0.83 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.19 2ddj s ASP 64 CO 0.50 -1.49 0.40 1.41 -0.17 0.00 0.00 175.17 175.83 2ddj n HIS 65 N -1.55 0.00 -2.94 -5.34 8.25 -1.26 -0.16 115.22 112.21 2ddj n HIS 65 Ca 0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2ddj n HIS 65 Cb 0.50 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.04 -1.20 -0.55 4.41 3.76 -1.26 -0.81 115.29 118.60 2ddj s HIS 66 Ca 0.00 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.64 2ddj s HIS 66 Cb 0.00 0.23 -0.05 0.00 1.11 0.00 0.00 32.58 33.86 2ddj s HIS 66 CO 0.00 -0.86 2.22 -1.01 -0.85 0.00 0.00 174.74 174.24 2ddj s HIS 67 N 1.57 1.28 -0.51 1.40 3.76 -1.26 -4.88 115.29 116.65 2ddj s HIS 67 Ca 0.19 1.31 -0.27 0.00 -0.15 0.00 0.00 55.06 56.14 2ddj s HIS 67 Cb 0.01 -3.75 -0.08 0.00 1.11 0.00 0.00 32.58 29.86 2ddj s HIS 67 CO -0.09 -2.41 2.42 0.72 -0.85 0.00 0.00 174.74 174.53 2ddj n HIS 68 N 14.93 1.41 -1.34 1.40 8.25 -1.26 -4.92 115.22 133.68 2ddj n HIS 68 Ca 0.32 0.12 -0.32 0.00 -0.26 0.00 0.00 57.72 57.58 2ddj n HIS 68 Cb 0.53 -2.62 0.09 0.00 1.12 0.00 0.00 29.99 29.11 2ddj n HIS 68 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddj s HIS 69 N 11.50 2.37 -2.00 4.41 -3.43 -1.26 -5.31 115.29 121.57 2ddj s HIS 69 Ca 1.02 1.60 0.12 0.00 -0.80 0.00 0.00 55.06 57.00 2ddj s HIS 69 Cb -0.30 -3.19 0.71 0.00 -1.43 0.00 0.00 32.58 28.37 2ddj s HIS 69 CO 0.30 -2.03 1.14 1.58 -2.00 0.00 0.00 174.74 173.73