#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bje s LEU 6 N 0.00 4.46 0.09 3.17 1.43 -1.26 -1.33 118.68 125.23 2bje s LEU 6 Ca 0.00 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.32 2bje s LEU 6 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2bje s LEU 6 CO 0.00 -0.36 0.03 -0.54 0.23 0.00 0.00 176.35 175.72 2bje s LYS 7 N -0.33 0.78 -0.10 1.70 -0.14 -0.03 -4.44 119.74 117.18 2bje s LYS 7 Ca 0.52 -1.29 -0.03 0.00 -1.36 0.00 0.00 55.97 53.81 2bje s LYS 7 Cb -0.33 0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 36.03 2bje s LYS 7 CO 0.37 -0.19 0.02 0.50 -0.76 0.00 0.00 175.35 175.28 2bje s ARG 8 N -3.97 3.10 -0.04 1.68 3.52 -0.20 -1.84 118.95 121.20 2bje s ARG 8 Ca 0.14 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 2bje s ARG 8 Cb 0.07 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2bje s ARG 8 CO -0.05 0.67 -0.20 1.41 -0.81 0.00 0.00 175.30 176.32 2bje s MET 9 N -0.78 2.32 -0.13 5.12 -2.45 0.36 0.80 119.30 124.55 2bje s MET 9 Ca 0.12 -0.81 -0.02 0.00 -1.25 0.00 0.00 55.69 53.73 2bje s MET 9 Cb -0.12 -2.21 -0.03 0.00 1.25 0.00 0.00 34.83 33.72 2bje s MET 9 CO 0.02 0.58 -0.05 0.71 1.05 0.00 0.00 175.02 177.33 2bje s TYR 10 N -0.65 2.99 -0.03 4.11 1.51 -0.34 -0.59 117.35 124.34 2bje s TYR 10 Ca 0.10 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 2bje s TYR 10 Cb -0.10 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2bje s TYR 10 CO -0.00 0.06 -0.01 0.00 -1.11 0.00 0.00 175.55 174.48 2bje s ALA 11 N 0.03 0.37 -0.20 3.71 0.00 0.02 -0.86 121.76 124.83 2bje s ALA 11 Ca -0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2bje s ALA 11 Cb -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2bje s ALA 11 CO 0.03 -0.04 -0.03 0.50 0.00 0.00 0.00 175.76 176.22 2bje s ARG 12 N 0.90 3.53 -0.16 0.00 3.52 0.23 -0.30 118.95 126.67 2bje s ARG 12 Ca -0.10 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 54.88 2bje s ARG 12 Cb -0.13 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 2bje s ARG 12 CO -0.01 -0.01 0.01 0.08 -0.81 0.00 0.00 175.30 174.56 2bje s VAL 13 N 1.03 4.33 0.10 7.11 1.01 -0.07 -0.92 120.40 132.99 2bje s VAL 13 Ca 0.01 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2bje s VAL 13 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2bje s VAL 13 CO 0.01 0.48 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 2bje s TYR 14 N 0.31 2.57 -4.74 5.22 1.51 0.01 -1.76 117.35 120.47 2bje s TYR 14 Ca -0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2bje s TYR 14 Cb -0.13 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 2bje s TYR 14 CO 0.02 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.23 2bje n GLY 15 N 0.97 0.96 3.51 0.71 0.00 -1.26 -0.86 105.19 109.21 2bje n GLY 15 Ca -0.15 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2bje n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bje s LEU 16 N 0.00 4.11 0.00 0.99 2.96 -0.78 -4.73 118.68 121.23 2bje s LEU 16 Ca 0.00 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.40 2bje s LEU 16 Cb 0.00 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.20 2bje s LEU 16 CO 0.00 -1.38 0.31 1.33 -1.32 0.00 0.00 176.35 175.29 2bje n VAL 17 N 6.25 0.06 -3.81 1.68 0.24 -1.26 -1.03 118.33 120.45 2bje n VAL 17 Ca 0.23 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 2bje n VAL 17 Cb 0.50 1.40 -0.05 0.00 -1.47 0.00 0.00 33.84 34.22 2bje n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2bje s GLN 18 N -0.06 3.53 0.00 7.34 -0.21 -1.26 -4.45 119.66 124.55 2bje s GLN 18 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.27 2bje s GLN 18 Cb 0.00 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.89 2bje s GLN 18 CO 0.00 0.69 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 2bje n GLY 19 N 1.35 0.76 0.11 3.09 0.00 -1.26 -4.85 105.19 104.39 2bje n GLY 19 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2bje n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bje n VAL 20 N -2.01 1.24 -0.73 1.61 0.24 -1.26 -4.96 118.33 112.46 2bje n VAL 20 Ca 0.00 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 2bje n VAL 20 Cb 0.00 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2bje n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bje n GLY 21 N -0.88 0.59 0.18 7.63 0.00 -1.26 -4.42 105.19 107.03 2bje n GLY 21 Ca 0.08 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 2bje n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bje h PHE 22 N 0.00 0.87 -0.00 1.61 3.04 -1.93 0.21 116.94 120.73 2bje h PHE 22 Ca 0.00 -0.47 -0.20 0.00 3.98 0.00 0.00 57.97 61.28 2bje h PHE 22 Cb 0.00 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 2bje h PHE 22 CO 0.00 1.30 -0.87 0.00 -2.02 0.00 0.00 178.31 176.72 2bje h ARG 23 N 0.33 0.23 0.00 1.11 3.08 -1.93 0.15 114.38 117.36 2bje h ARG 23 Ca -0.11 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 2bje h ARG 23 Cb 1.64 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 2bje h ARG 23 CO 0.19 0.96 -0.77 0.87 -1.07 0.00 0.00 179.97 180.14 2bje h LYS 24 N 0.13 0.00 -0.01 0.04 1.57 -1.97 0.96 116.57 117.29 2bje h LYS 24 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2bje h LYS 24 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2bje h LYS 24 CO 0.14 0.49 0.01 0.35 -0.57 0.00 0.00 179.45 179.86 2bje h PHE 25 N 0.00 0.02 -0.62 -1.35 3.57 -0.73 0.98 116.94 118.80 2bje h PHE 25 Ca -0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2bje h PHE 25 Cb 1.47 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 2bje h PHE 25 CO 0.00 0.12 0.32 0.28 -2.23 0.00 0.00 178.31 176.80 2bje h VAL 26 N -0.09 1.21 0.36 1.41 2.07 -0.41 -2.43 116.25 118.37 2bje h VAL 26 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2bje h VAL 26 Cb 0.11 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2bje h VAL 26 CO -0.00 0.23 -0.24 -0.61 0.02 0.00 0.00 177.57 176.97 2bje h GLN 27 N 0.85 -0.56 -0.76 1.57 4.15 -0.59 0.38 115.11 120.15 2bje h GLN 27 Ca 0.22 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.71 2bje h GLN 27 Cb 0.08 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 2bje h GLN 27 CO -0.03 -0.37 0.50 0.82 -1.93 0.00 0.00 178.83 177.82 2bje h ILE 28 N -0.58 1.11 0.07 2.39 2.04 -0.72 0.23 117.51 122.04 2bje h ILE 28 Ca -0.03 -0.31 -0.24 0.00 1.00 0.00 0.00 64.86 65.27 2bje h ILE 28 Cb 0.49 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2bje h ILE 28 CO 0.02 0.17 -1.10 0.45 0.00 0.00 0.00 178.15 177.68 2bje h HIS 29 N 0.91 0.30 -0.57 1.37 3.86 -1.15 -1.26 115.15 118.62 2bje h HIS 29 Ca 0.31 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2bje h HIS 29 Cb 0.07 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2bje h HIS 29 CO -0.00 1.14 0.12 0.00 0.86 0.00 0.00 177.93 180.05 2bje h ALA 30 N 0.78 0.75 -0.11 2.45 0.00 0.34 -2.03 119.26 121.43 2bje h ALA 30 Ca -0.08 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2bje h ALA 30 Cb 1.83 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2bje h ALA 30 CO 0.17 0.47 -0.53 0.82 0.00 0.00 0.00 179.25 180.18 2bje h ILE 31 N 0.82 1.35 0.00 0.00 2.04 -0.84 0.12 117.51 120.99 2bje h ILE 31 Ca 0.18 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 2bje h ILE 31 Cb 0.37 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2bje h ILE 31 CO 0.00 0.54 -0.32 0.03 0.00 0.00 0.00 178.15 178.40 2bje h ARG 32 N 0.25 0.00 -0.10 2.37 3.08 -0.91 -2.93 114.38 116.15 2bje h ARG 32 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2bje h ARG 32 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2bje h ARG 32 CO 0.09 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 2bje n LEU 33 N -3.69 2.24 -1.29 3.04 4.77 -0.31 -4.94 117.00 116.82 2bje n LEU 33 Ca -0.01 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.06 2bje n LEU 33 Cb 0.43 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2bje n LEU 33 CO 0.36 0.41 -0.02 0.61 -1.33 0.00 0.00 177.39 177.42 2bje n GLY 34 N 1.26 0.17 3.61 -0.72 0.00 -0.78 -4.85 105.19 103.89 2bje n GLY 34 Ca 0.17 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2bje n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bje s ILE 35 N -2.72 3.98 0.30 -0.61 1.01 0.25 -4.82 121.20 118.59 2bje s ILE 35 Ca 0.10 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.47 2bje s ILE 35 Cb -0.04 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2bje s ILE 35 CO 0.12 0.59 0.08 -0.54 0.00 0.00 0.00 174.94 175.19 2bje s LYS 36 N -0.68 2.39 0.00 2.79 1.02 -0.83 -4.24 119.74 120.19 2bje s LYS 36 Ca 0.11 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2bje s LYS 36 Cb -0.12 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 2bje s LYS 36 CO 0.02 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 2bje n GLY 37 N -1.04 0.63 3.47 -3.33 0.00 0.02 -0.52 105.19 104.42 2bje n GLY 37 Ca -0.05 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2bje n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bje s TYR 38 N -4.00 0.12 -0.04 1.61 -0.85 0.34 -0.79 117.35 113.74 2bje s TYR 38 Ca 0.00 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 56.10 2bje s TYR 38 Cb 0.00 0.21 0.01 0.00 0.38 0.00 0.00 41.96 42.56 2bje s TYR 38 CO 0.00 -0.86 -0.11 0.00 -1.52 0.00 0.00 175.55 173.06 2bje s ALA 39 N -3.92 1.05 -0.06 9.51 0.00 -0.76 -0.78 121.76 126.79 2bje s ALA 39 Ca 0.14 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2bje s ALA 39 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2bje s ALA 39 CO -0.00 0.14 -0.10 0.21 0.00 0.00 0.00 175.76 176.01 2bje s LYS 40 N 0.35 1.46 0.18 0.00 2.20 0.15 -1.48 119.74 122.60 2bje s LYS 40 Ca -0.07 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 2bje s LYS 40 Cb -0.11 -1.27 -0.09 0.00 -1.51 0.00 0.00 37.83 34.85 2bje s LYS 40 CO 0.01 -0.02 1.36 -0.80 -0.36 0.00 0.00 175.35 175.55 2bje s ASN 41 N 0.80 6.82 0.11 1.43 0.02 0.00 -1.24 114.94 122.89 2bje s ASN 41 Ca -0.12 2.43 -0.02 0.00 -1.02 0.00 0.00 52.86 54.12 2bje s ASN 41 Cb -0.15 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.47 2bje s ASN 41 CO 0.02 -0.60 0.30 -0.76 0.02 0.00 0.00 177.10 176.07 2bje s LEU 42 N 0.28 4.31 0.48 0.60 1.43 -0.40 -4.94 118.68 120.44 2bje s LEU 42 Ca 0.60 0.41 0.32 0.00 -1.03 0.00 0.00 54.13 54.44 2bje s LEU 42 Cb -0.38 -3.13 1.74 0.00 0.03 0.00 0.00 46.19 44.46 2bje s LEU 42 CO 0.36 0.10 1.99 1.55 0.23 0.00 0.00 176.35 180.58 2bje h PRO 43 N 2.86 0.00 -0.01 1.29 0.13 -1.96 -2.00 132.00 132.31 2bje h PRO 43 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bje h PRO 43 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2bje h PRO 43 CO 0.74 0.00 -0.11 -0.40 -0.23 0.00 0.00 178.00 178.00 2bje n ASP 44 N -2.64 0.74 0.00 1.44 5.75 -1.26 -4.93 116.55 115.65 2bje n ASP 44 Ca -0.02 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2bje n ASP 44 Cb 0.06 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2bje n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bje n GLY 45 N 1.24 0.93 3.93 6.12 0.00 -0.75 -5.08 105.19 111.58 2bje n GLY 45 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2bje n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bje s SER 46 N -1.75 3.60 -0.01 1.61 1.04 -1.26 -4.20 113.70 112.73 2bje s SER 46 Ca 0.00 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2bje s SER 46 Cb 0.00 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2bje s SER 46 CO 0.00 -2.43 -0.03 -0.69 0.98 0.00 0.00 173.24 171.07 2bje s VAL 47 N -3.73 0.32 -0.16 5.02 1.01 -0.72 -1.28 120.40 120.86 2bje s VAL 47 Ca 0.70 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2bje s VAL 47 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2bje s VAL 47 CO 0.51 0.11 -0.01 -1.61 0.00 0.00 0.00 175.10 174.10 2bje s GLU 48 N 0.16 3.70 -0.10 2.72 2.02 -0.37 -0.89 118.70 125.93 2bje s GLU 48 Ca -0.01 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.52 2bje s GLU 48 Cb -0.05 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2bje s GLU 48 CO -0.00 0.29 -0.15 0.08 0.02 0.00 0.00 175.26 175.49 2bje s VAL 49 N 0.26 2.88 -0.12 2.63 1.01 0.59 0.34 120.40 128.00 2bje s VAL 49 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2bje s VAL 49 Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.09 2bje s VAL 49 CO 0.02 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 174.86 2bje s VAL 50 N 0.08 1.32 0.01 2.92 1.01 0.04 -0.80 120.40 124.98 2bje s VAL 50 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2bje s VAL 50 Cb -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2bje s VAL 50 CO 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 2bje s ALA 51 N 1.32 0.61 -0.03 5.51 0.00 0.24 -0.50 121.76 128.91 2bje s ALA 51 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2bje s ALA 51 Cb -0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 2bje s ALA 51 CO -0.06 0.12 -0.12 -1.21 0.00 0.00 0.00 175.76 174.49 2bje s GLU 52 N -0.49 1.19 0.00 0.00 2.02 0.33 0.14 118.70 121.89 2bje s GLU 52 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2bje s GLU 52 Cb -0.04 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 33.09 2bje s GLU 52 CO -0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.87 2bje n GLY 53 N 3.14 -0.83 3.80 -1.39 0.00 -0.77 -1.96 105.19 107.18 2bje n GLY 53 Ca -0.17 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2bje n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bje s TYR 54 N -3.00 3.01 0.35 1.61 1.51 -1.26 -0.85 117.35 118.71 2bje s TYR 54 Ca 0.00 1.58 0.22 0.00 -1.01 0.00 0.00 57.07 57.86 2bje s TYR 54 Cb 0.00 -3.08 1.11 0.00 -0.11 0.00 0.00 41.96 39.87 2bje s TYR 54 CO 0.00 -0.84 1.95 1.05 -1.11 0.00 0.00 175.55 176.60 2bje h GLU 55 N 1.64 0.00 -0.05 -0.62 4.11 -1.56 -0.80 114.58 117.31 2bje h GLU 55 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2bje h GLU 55 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2bje h GLU 55 CO 0.59 0.22 0.01 1.49 0.07 0.00 0.00 179.01 181.39 2bje h GLU 56 N 0.00 0.08 -0.38 1.06 4.81 -1.90 -0.97 114.58 117.27 2bje h GLU 56 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2bje h GLU 56 Cb 0.51 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2bje h GLU 56 CO 0.03 0.31 0.16 0.00 -0.73 0.00 0.00 179.01 178.78 2bje h ALA 57 N 0.77 1.57 -0.36 2.92 0.00 -1.66 -1.64 119.26 120.85 2bje h ALA 57 Ca 0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2bje h ALA 57 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bje h ALA 57 CO 0.00 0.34 -0.43 -0.07 0.00 0.00 0.00 179.25 179.09 2bje h LEU 58 N 0.54 1.00 0.02 0.00 3.38 -1.05 0.12 115.31 119.31 2bje h LEU 58 Ca 0.13 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2bje h LEU 58 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2bje h LEU 58 CO -0.02 1.29 -0.16 0.28 0.09 0.00 0.00 178.44 179.93 2bje h SER 59 N 0.74 -0.45 -0.76 -0.43 0.02 -0.95 0.16 113.55 111.88 2bje h SER 59 Ca 0.05 0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.21 2bje h SER 59 Cb 1.03 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.66 2bje h SER 59 CO 0.10 -0.22 0.29 0.11 -1.14 0.00 0.00 176.83 175.98 2bje h LYS 60 N -0.27 0.42 -0.54 3.45 1.57 -0.91 -2.22 116.57 118.06 2bje h LYS 60 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2bje h LYS 60 Cb 0.32 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2bje h LYS 60 CO -0.14 0.28 0.28 1.25 -0.57 0.00 0.00 179.45 180.54 2bje h LEU 61 N 0.43 0.69 -1.42 2.94 5.85 -0.33 -2.60 115.31 120.87 2bje h LEU 61 Ca 0.42 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.10 2bje h LEU 61 Cb 0.65 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2bje h LEU 61 CO -0.42 0.60 0.47 0.25 -0.34 0.00 0.00 178.44 179.00 2bje h LEU 62 N 0.72 0.61 -0.70 2.25 5.85 -0.30 -0.96 115.31 122.78 2bje h LEU 62 Ca 0.19 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2bje h LEU 62 Cb 0.08 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2bje h LEU 62 CO -0.03 0.39 0.39 -0.33 -0.34 0.00 0.00 178.44 178.52 2bje h GLU 63 N 0.69 0.68 -0.49 1.25 5.08 -1.02 -0.82 114.58 119.94 2bje h GLU 63 Ca 0.31 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2bje h GLU 63 Cb 0.33 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2bje h GLU 63 CO -0.10 0.45 -0.08 0.00 -1.00 0.00 0.00 179.01 178.27 2bje h ARG 64 N 0.70 0.88 -0.33 2.33 2.47 -1.21 -2.96 114.38 116.26 2bje h ARG 64 Ca 0.32 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2bje h ARG 64 Cb 0.23 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2bje h ARG 64 CO -0.20 0.93 -0.06 0.82 0.56 0.00 0.00 179.97 182.02 2bje h ILE 65 N 0.80 1.27 -0.11 2.04 2.04 -0.70 0.35 117.51 123.20 2bje h ILE 65 Ca 0.14 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2bje h ILE 65 Cb 0.59 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2bje h ILE 65 CO 0.04 0.35 0.01 0.11 0.00 0.00 0.00 178.15 178.66 2bje h LYS 66 N 0.41 0.15 0.00 2.37 1.57 -1.20 -3.18 116.57 116.69 2bje h LYS 66 Ca 0.09 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2bje h LYS 66 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2bje h LYS 66 CO 0.03 0.16 -0.48 1.96 -0.57 0.00 0.00 179.45 180.55 2bje h GLN 67 N 0.15 0.00 -0.91 3.15 4.20 -1.18 -3.45 115.11 117.07 2bje h GLN 67 Ca 0.04 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.85 2bje h GLN 67 Cb 0.10 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2bje h GLN 67 CO 0.00 0.84 -0.25 0.41 -0.67 0.00 0.00 178.83 179.16 2bje n GLY 68 N 1.56 -2.18 3.79 3.46 0.00 0.11 -4.63 105.19 107.31 2bje n GLY 68 Ca -0.17 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2bje n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bje s PRO 69 N -2.41 3.34 0.48 1.61 0.04 -1.26 -4.94 135.00 131.86 2bje s PRO 69 Ca 0.00 1.39 0.26 0.00 0.04 0.00 0.00 61.00 62.70 2bje s PRO 69 Cb 0.00 -2.02 1.44 0.00 0.04 0.00 0.00 34.50 33.95 2bje s PRO 69 CO 0.00 -0.82 1.78 -1.35 0.04 0.00 0.00 177.00 176.66 2bje h PRO 70 N 0.84 0.00 0.00 0.56 0.11 -1.94 -0.74 132.00 130.83 2bje h PRO 70 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bje h PRO 70 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bje h PRO 70 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 2bje h ALA 71 N 1.64 1.00 -2.31 -0.75 0.00 -1.92 -3.45 119.26 113.48 2bje h ALA 71 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2bje h ALA 71 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2bje h ALA 71 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.28 2bje s ALA 72 N -3.41 3.47 -0.29 0.00 0.00 -0.28 -4.96 121.76 116.28 2bje s ALA 72 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2bje s ALA 72 Cb 0.08 -2.50 0.08 0.00 0.00 0.00 0.00 23.12 20.78 2bje s ALA 72 CO 0.59 -0.16 0.02 -2.00 0.00 0.00 0.00 175.76 174.21 2bje s GLU 73 N -4.36 1.33 -0.38 0.00 2.12 -0.20 -4.89 118.70 112.33 2bje s GLU 73 Ca 0.46 -1.28 -0.25 0.00 0.36 0.00 0.00 54.97 54.26 2bje s GLU 73 Cb -0.10 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.69 2bje s GLU 73 CO 0.39 -0.81 0.90 0.08 -0.54 0.00 0.00 175.26 175.29 2bje s VAL 74 N 1.30 4.60 -0.14 3.70 1.01 -1.26 -1.86 120.40 127.75 2bje s VAL 74 Ca 0.03 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.19 2bje s VAL 74 Cb -0.18 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 31.64 2bje s VAL 74 CO -0.12 -0.55 0.27 -0.62 0.00 0.00 0.00 175.10 174.08 2bje n GLU 75 N 6.76 0.68 -3.59 2.72 1.02 -0.04 -5.00 120.64 123.20 2bje n GLU 75 Ca 0.06 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.24 2bje n GLU 75 Cb 0.48 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 2bje n GLU 75 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2bje s LYS 76 N -2.55 0.88 -0.10 3.49 2.20 -1.12 -5.00 119.74 117.54 2bje s LYS 76 Ca -0.16 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.07 2bje s LYS 76 Cb 0.07 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 2bje s LYS 76 CO 0.77 -0.19 -0.04 0.08 -0.36 0.00 0.00 175.35 175.61 2bje s VAL 77 N -0.31 0.75 -0.12 4.02 1.01 -1.26 -0.81 120.40 123.68 2bje s VAL 77 Ca -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2bje s VAL 77 Cb -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2bje s VAL 77 CO 0.04 0.31 -0.02 -1.81 0.00 0.00 0.00 175.10 173.62 2bje s ASP 78 N 1.82 4.99 0.13 3.32 1.01 -0.09 -4.96 116.67 122.89 2bje s ASP 78 Ca 0.05 0.00 -0.12 0.00 0.71 0.00 0.00 52.55 53.19 2bje s ASP 78 Cb -0.12 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.23 2bje s ASP 78 CO -0.07 0.28 0.32 -0.72 0.21 0.00 0.00 175.17 175.18 2bje s TYR 79 N -0.27 0.08 0.14 4.23 -0.85 -1.26 -0.60 117.35 118.82 2bje s TYR 79 Ca 0.05 -0.45 -0.18 0.00 -0.52 0.00 0.00 57.07 55.97 2bje s TYR 79 Cb -0.12 0.09 0.05 0.00 0.38 0.00 0.00 41.96 42.35 2bje s TYR 79 CO 0.02 -0.68 0.48 -1.54 -1.52 0.00 0.00 175.55 172.31 2bje s SER 80 N -2.87 -0.35 0.17 -0.18 1.04 -0.04 -4.99 113.70 106.48 2bje s SER 80 Ca 0.08 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.33 2bje s SER 80 Cb 0.03 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2bje s SER 80 CO -0.08 -0.91 0.19 -0.36 0.98 0.00 0.00 173.24 173.06 2bje s PHE 81 N -3.79 3.25 0.00 5.02 0.08 -1.26 -1.20 117.98 120.07 2bje s PHE 81 Ca 0.03 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2bje s PHE 81 Cb 0.01 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2bje s PHE 81 CO -0.11 0.52 0.00 -1.13 -0.10 0.00 0.00 175.22 174.39 2bje n SER 82 N -0.48 0.00 -4.78 1.36 3.41 0.24 -4.95 113.62 108.42 2bje n SER 82 Ca -0.08 -0.94 -0.36 0.00 -0.26 0.00 0.00 58.87 57.23 2bje n SER 82 Cb 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 2bje n SER 82 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2bje s GLU 83 N -1.82 4.16 0.20 4.33 0.41 -1.26 -1.04 118.70 123.68 2bje s GLU 83 Ca 0.00 1.51 -0.30 0.00 -0.41 0.00 0.00 54.97 55.77 2bje s GLU 83 Cb 0.00 -2.53 -0.08 0.00 -1.78 0.00 0.00 34.13 29.74 2bje s GLU 83 CO 0.00 -0.14 1.02 -0.47 -0.49 0.00 0.00 175.26 175.18 2bje s TYR 84 N -1.67 3.76 -0.11 1.61 5.04 -1.26 -4.14 117.35 120.58 2bje s TYR 84 Ca 0.58 1.76 0.03 0.00 -2.44 0.00 0.00 57.07 57.00 2bje s TYR 84 Cb -0.22 -3.14 -0.03 0.00 0.35 0.00 0.00 41.96 38.92 2bje s TYR 84 CO 0.27 -0.09 0.11 1.63 -1.34 0.00 0.00 175.55 176.14 2bje n LYS 85 N 2.01 5.17 -2.74 4.97 5.02 -1.26 -4.93 118.16 126.40 2bje n LYS 85 Ca 0.01 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2bje n LYS 85 Cb 0.47 -0.70 0.02 0.00 -0.02 0.00 0.00 35.03 34.80 2bje n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bje n GLY 86 N 1.26 0.19 0.08 0.72 0.00 -1.26 -4.92 105.19 101.26 2bje n GLY 86 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.77 2bje n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bje n GLU 87 N -2.33 0.63 -4.24 1.61 2.13 -1.26 -4.88 120.64 112.29 2bje n GLU 87 Ca -0.03 0.04 -0.35 0.00 0.66 0.00 0.00 57.16 57.48 2bje n GLU 87 Cb 0.55 -1.72 -0.09 0.00 0.27 0.00 0.00 31.44 30.45 2bje n GLU 87 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2bje s PHE 88 N -3.26 3.26 -1.39 4.31 0.40 -1.26 -4.96 117.98 115.08 2bje s PHE 88 Ca -0.04 0.25 0.19 0.00 -0.60 0.00 0.00 56.93 56.74 2bje s PHE 88 Cb 0.10 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.69 2bje s PHE 88 CO 0.83 0.50 0.91 0.39 0.70 0.00 0.00 175.22 178.55 2bje n GLU 89 N 2.23 1.09 -0.45 0.44 1.02 -1.26 -4.78 120.64 118.93 2bje n GLU 89 Ca -0.19 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 2bje n GLU 89 Cb 0.54 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2bje n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2bje n ASP 90 N -0.71 0.00 -4.11 1.62 5.75 -1.26 -5.04 116.55 112.79 2bje n ASP 90 Ca 0.06 -0.41 -0.33 0.00 -0.01 0.00 0.00 54.79 54.10 2bje n ASP 90 Cb 0.36 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.30 2bje n ASP 90 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bje s PHE 91 N -5.10 3.16 0.33 2.11 2.19 -1.25 -0.80 117.98 118.62 2bje s PHE 91 Ca 0.00 -2.04 0.08 0.00 0.33 0.00 0.00 56.93 55.30 2bje s PHE 91 Cb 0.00 -1.98 -0.03 0.00 -1.31 0.00 0.00 43.02 39.70 2bje s PHE 91 CO 0.00 -0.84 0.25 -1.21 1.83 0.00 0.00 175.22 175.26 2bje s GLU 92 N 1.19 2.65 0.10 10.12 2.02 0.03 -4.93 118.70 129.88 2bje s GLU 92 Ca -0.05 -1.34 0.10 0.00 0.02 0.00 0.00 54.97 53.70 2bje s GLU 92 Cb -0.18 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 2bje s GLU 92 CO -0.06 0.12 -0.26 0.95 0.02 0.00 0.00 175.26 176.03 2bje s THR 93 N -2.32 2.18 0.00 3.63 -4.23 -1.26 -1.84 115.64 111.80 2bje s THR 93 Ca 0.40 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2bje s THR 93 Cb -0.05 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.88 2bje s THR 93 CO 0.26 0.18 0.00 -1.22 -0.54 0.00 0.00 174.62 173.29