#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b83 s LEU 1 N 0.00 4.52 0.06 4.03 2.96 -1.26 -4.99 118.68 123.99 3b83 s LEU 1 Ca 0.00 2.15 -0.31 0.00 -0.22 0.00 0.00 54.13 55.75 3b83 s LEU 1 Cb 0.00 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 3b83 s LEU 1 CO 0.00 -0.18 1.31 -1.10 -1.32 0.00 0.00 176.35 175.05 3b83 s GLN 2 N -0.76 4.36 0.75 1.98 -1.52 -1.26 -4.40 119.66 118.81 3b83 s GLN 2 Ca 0.47 1.91 -0.11 0.00 -1.95 0.00 0.00 55.36 55.68 3b83 s GLN 2 Cb -0.30 -3.37 0.04 0.00 -0.22 0.00 0.00 33.01 29.17 3b83 s GLN 2 CO 0.37 -0.39 1.09 -1.25 -0.25 0.00 0.00 175.29 174.85 3b83 s PRO 3 N 1.40 2.46 0.84 2.91 0.04 -1.26 -4.63 135.00 136.75 3b83 s PRO 3 Ca 0.62 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 3b83 s PRO 3 Cb -0.32 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.35 3b83 s PRO 3 CO 0.29 -1.36 1.09 -2.14 0.04 0.00 0.00 177.00 174.92 3b83 s PRO 4 N -5.19 1.73 0.27 0.56 0.02 -1.26 -4.32 135.00 126.81 3b83 s PRO 4 Ca 0.59 0.97 -0.02 0.00 0.02 0.00 0.00 61.00 62.57 3b83 s PRO 4 Cb -0.13 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3b83 s PRO 4 CO 0.54 -1.96 0.32 -0.59 -0.33 0.00 0.00 177.00 174.97 3b83 s PHE 5 N -2.93 1.11 -1.16 6.54 -0.12 -0.80 -4.68 117.98 115.95 3b83 s PHE 5 Ca 0.62 -1.30 -0.11 0.00 -0.05 0.00 0.00 56.93 56.10 3b83 s PHE 5 Cb -0.17 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3b83 s PHE 5 CO 0.56 -0.88 0.81 -1.71 -0.05 0.00 0.00 175.22 173.95 3b83 n ASN 6 N -0.86 -4.60 -4.75 1.98 4.05 -1.26 -2.15 115.26 107.67 3b83 n ASN 6 Ca 0.02 -0.87 -0.40 0.00 0.45 0.00 0.00 54.58 53.78 3b83 n ASN 6 Cb 0.63 -4.14 -0.06 0.00 1.23 0.00 0.00 39.78 37.45 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 3b83 s ILE 7 N -3.49 4.22 0.01 -1.44 2.07 -1.26 -4.32 121.20 116.99 3b83 s ILE 7 Ca 0.34 2.00 0.00 0.00 -1.41 0.00 0.00 60.65 61.59 3b83 s ILE 7 Cb -0.09 -4.29 -0.01 0.00 0.13 0.00 0.00 42.46 38.21 3b83 s ILE 7 CO 0.81 0.47 -0.02 -0.54 -1.91 0.00 0.00 174.94 173.75 3b83 s LYS 8 N -0.93 0.16 -0.15 3.50 1.02 0.12 -5.00 119.74 118.46 3b83 s LYS 8 Ca 0.41 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.18 3b83 s LYS 8 Cb -0.25 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 3b83 s LYS 8 CO 0.30 -0.00 -0.20 0.08 -0.92 0.00 0.00 175.35 174.61 3b83 s VAL 9 N -0.50 1.96 0.28 3.17 1.01 -1.26 -0.93 120.40 124.12 3b83 s VAL 9 Ca -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3b83 s VAL 9 Cb -0.04 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3b83 s VAL 9 CO -0.00 0.53 0.07 0.41 0.00 0.00 0.00 175.10 176.11 3b83 n THR 10 N 4.32 0.00 -4.15 3.92 -1.04 0.63 -4.86 114.28 113.10 3b83 n THR 10 Ca -0.20 -1.54 -0.32 0.00 -2.04 0.00 0.00 64.05 59.95 3b83 n THR 10 Cb 0.51 0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 69.44 3b83 n THR 10 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3b83 n ASN 11 N -1.60 -0.06 -4.70 8.00 4.13 -1.26 -1.01 115.26 118.75 3b83 n ASN 11 Ca -0.06 -1.13 -0.42 0.00 1.68 0.00 0.00 54.58 54.65 3b83 n ASN 11 Cb 0.40 -1.42 -0.03 0.00 -1.54 0.00 0.00 39.78 37.19 3b83 n ASN 11 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3b83 s ILE 12 N -3.78 4.00 0.00 2.41 1.01 -1.26 -4.29 121.20 119.29 3b83 s ILE 12 Ca 0.28 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3b83 s ILE 12 Cb -0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3b83 s ILE 12 CO 0.90 0.07 0.00 0.35 0.00 0.00 0.00 174.94 176.26 3b83 n THR 13 N 4.15 0.00 -0.05 2.92 -2.24 0.03 -4.75 114.28 114.34 3b83 n THR 13 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3b83 n THR 13 Cb 0.46 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.93 3b83 n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3b83 h LEU 14 N 0.00 0.61 -1.43 3.22 -0.00 -1.92 -0.62 115.31 115.17 3b83 h LEU 14 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3b83 h LEU 14 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 3b83 h LEU 14 CO 0.00 0.67 0.00 0.35 -0.00 0.00 0.00 178.44 179.46 3b83 n THR 15 N -4.26 0.26 -4.14 0.22 -2.24 -1.26 -3.17 114.28 99.69 3b83 n THR 15 Ca 0.02 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 3b83 n THR 15 Cb 0.26 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 3b83 n THR 15 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b83 s THR 16 N -0.26 0.57 -0.11 4.28 -4.23 -1.26 -1.23 115.64 113.41 3b83 s THR 16 Ca 0.00 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 3b83 s THR 16 Cb 0.00 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.31 3b83 s THR 16 CO 0.00 -0.88 0.56 0.00 -0.54 0.00 0.00 174.62 173.76 3b83 s ALA 17 N -3.58 -1.43 -0.16 3.99 0.00 -0.93 -0.79 121.76 118.86 3b83 s ALA 17 Ca 0.09 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3b83 s ALA 17 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3b83 s ALA 17 CO -0.06 -0.31 -0.02 0.08 0.00 0.00 0.00 175.76 175.46 3b83 s VAL 18 N -0.63 4.10 -0.08 0.00 1.01 -0.18 -0.68 120.40 123.94 3b83 s VAL 18 Ca -0.07 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3b83 s VAL 18 Cb -0.03 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3b83 s VAL 18 CO 0.05 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3b83 s VAL 19 N 0.29 3.14 0.03 2.92 1.01 0.07 -0.27 120.40 127.59 3b83 s VAL 19 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3b83 s VAL 19 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3b83 s VAL 19 CO 0.02 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.77 3b83 s THR 20 N -0.41 0.17 0.33 3.92 2.01 -0.11 -1.60 115.64 119.96 3b83 s THR 20 Ca 0.05 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 3b83 s THR 20 Cb -0.12 -0.60 0.06 0.00 0.01 0.00 0.00 72.50 71.85 3b83 s THR 20 CO 0.02 -0.61 0.85 -1.66 -0.69 0.00 0.00 174.62 172.53 3b83 s TRP 21 N -2.06 0.09 0.01 4.92 -2.14 -1.01 -0.70 118.94 118.05 3b83 s TRP 21 Ca -0.10 -0.69 0.06 0.00 2.66 0.00 0.00 56.10 58.03 3b83 s TRP 21 Cb -0.06 0.80 -0.02 0.00 -3.10 0.00 0.00 33.47 31.10 3b83 s TRP 21 CO -0.03 -1.39 -0.17 -0.65 -2.66 0.00 0.00 176.95 172.05 3b83 s GLN 22 N -2.35 1.30 0.91 3.25 -0.21 -0.92 -4.82 119.66 116.83 3b83 s GLN 22 Ca 0.17 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 54.73 3b83 s GLN 22 Cb -0.04 -1.30 0.13 0.00 1.00 0.00 0.00 33.01 32.80 3b83 s GLN 22 CO 0.10 0.35 1.11 -2.14 -2.12 0.00 0.00 175.29 172.59 3b83 s PRO 23 N -0.67 1.18 1.11 2.91 0.02 -1.26 -1.91 135.00 136.37 3b83 s PRO 23 Ca 0.06 0.46 -0.16 0.00 0.02 0.00 0.00 61.00 61.38 3b83 s PRO 23 Cb -0.07 -1.83 0.24 0.00 0.02 0.00 0.00 34.50 32.86 3b83 s PRO 23 CO 0.00 -2.21 1.11 -2.14 -0.33 0.00 0.00 177.00 173.43 3b83 s PRO 24 N -5.15 -0.44 0.06 5.54 0.02 -1.26 -4.69 135.00 129.07 3b83 s PRO 24 Ca 0.63 0.18 -0.33 0.00 0.02 0.00 0.00 61.00 61.50 3b83 s PRO 24 Cb -0.16 -1.67 -0.19 0.00 0.02 0.00 0.00 34.50 32.51 3b83 s PRO 24 CO 0.55 -3.24 1.52 0.82 -0.33 0.00 0.00 177.00 176.31 3b83 h ILE 25 N -2.25 0.24 -4.33 2.83 2.04 -1.89 -3.44 117.51 110.70 3b83 h ILE 25 Ca -0.50 -0.08 -0.51 0.00 1.00 0.00 0.00 64.86 64.77 3b83 h ILE 25 Cb 1.31 0.26 0.11 0.00 -0.74 0.00 0.00 36.82 37.76 3b83 h ILE 25 CO 0.46 0.01 0.35 -0.76 0.00 0.00 0.00 178.15 178.21 3b83 s LEU 26 N -9.93 3.10 0.41 1.44 1.43 -1.26 -5.02 118.68 108.85 3b83 s LEU 26 Ca -0.18 1.70 -0.26 0.00 -1.03 0.00 0.00 54.13 54.37 3b83 s LEU 26 Cb 0.03 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 3b83 s LEU 26 CO 0.58 -1.65 1.26 -2.84 0.23 0.00 0.00 176.35 173.93 3b83 s PRO 27 N -4.97 3.98 0.13 1.29 0.02 -1.26 -5.06 135.00 129.13 3b83 s PRO 27 Ca 0.59 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3b83 s PRO 27 Cb -0.15 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 3b83 s PRO 27 CO 0.55 -0.45 0.01 0.96 -0.33 0.00 0.00 177.00 177.75 3b83 s ILE 28 N -1.31 0.37 0.02 2.83 -4.36 -1.26 -5.03 121.20 112.46 3b83 s ILE 28 Ca 0.57 -1.92 -0.07 0.00 -0.26 0.00 0.00 60.65 58.97 3b83 s ILE 28 Cb -0.36 -1.97 -0.30 0.00 1.25 0.00 0.00 42.46 41.09 3b83 s ILE 28 CO 0.45 -0.58 0.92 -0.33 0.24 0.00 0.00 174.94 175.65 3b83 h GLU 29 N 2.85 0.34 -2.40 0.37 5.08 -1.87 -3.43 114.58 115.53 3b83 h GLU 29 Ca -0.35 -0.58 0.15 0.00 -1.00 0.00 0.00 59.36 57.57 3b83 h GLU 29 Cb 1.19 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 3b83 h GLU 29 CO 0.62 1.24 0.46 0.20 -1.00 0.00 0.00 179.01 180.53 3b83 s GLY 30 N -4.84 -0.29 -0.09 -3.84 0.00 -1.10 -4.31 107.32 92.85 3b83 s GLY 30 Ca -0.09 0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3b83 s GLY 30 CO 0.88 0.07 -0.12 -0.42 0.00 0.00 0.00 173.10 173.51 3b83 s ILE 31 N -3.31 1.23 -0.16 0.90 1.01 -0.11 -0.83 121.20 119.93 3b83 s ILE 31 Ca 0.10 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 3b83 s ILE 31 Cb -0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3b83 s ILE 31 CO -0.00 0.39 0.33 -0.76 0.00 0.00 0.00 174.94 174.89 3b83 s LEU 32 N 1.05 4.24 -0.20 2.97 1.43 0.79 -0.88 118.68 128.08 3b83 s LEU 32 Ca -0.07 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3b83 s LEU 32 Cb -0.15 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.66 3b83 s LEU 32 CO -0.01 0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.78 3b83 s VAL 33 N 0.59 2.35 -0.17 -1.59 1.01 -0.61 -0.98 120.40 121.00 3b83 s VAL 33 Ca 0.18 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3b83 s VAL 33 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3b83 s VAL 33 CO 0.05 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.61 3b83 s THR 34 N 1.31 3.08 0.07 3.92 2.01 -0.21 -1.09 115.64 124.72 3b83 s THR 34 Ca 0.04 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3b83 s THR 34 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3b83 s THR 34 CO -0.10 0.49 -0.05 0.72 -0.69 0.00 0.00 174.62 174.98 3b83 s PHE 35 N 0.88 0.72 0.00 4.92 -0.12 -0.04 -0.81 117.98 123.54 3b83 s PHE 35 Ca -0.03 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.94 3b83 s PHE 35 Cb -0.15 -0.45 0.00 0.00 -0.63 0.00 0.00 43.02 41.79 3b83 s PHE 35 CO 0.00 -0.22 0.00 0.41 -0.05 0.00 0.00 175.22 175.36 3b83 n GLY 36 N 0.21 2.64 3.52 1.99 0.00 -1.07 -0.68 105.19 111.79 3b83 n GLY 36 Ca -0.14 -1.10 -0.54 0.00 0.00 0.00 0.00 46.02 44.24 3b83 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b83 n ARG 37 N -1.13 0.49 -1.62 1.61 1.74 -1.22 -1.81 116.66 114.73 3b83 n ARG 37 Ca 0.00 0.18 -0.48 0.00 -0.77 0.00 0.00 57.85 56.77 3b83 n ARG 37 Cb 0.00 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 3b83 n ARG 37 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3b83 n LYS 38 N 1.73 1.52 -4.07 5.56 3.00 0.36 -2.46 118.16 123.80 3b83 n LYS 38 Ca 0.18 0.55 -0.30 0.00 -0.00 0.00 0.00 58.31 58.74 3b83 n LYS 38 Cb 0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 35.03 32.99 3b83 n LYS 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3b83 n ASN 39 N 2.46 -1.43 -3.59 3.14 3.02 -1.26 -4.93 115.26 112.66 3b83 n ASN 39 Ca 0.16 -1.02 -0.27 0.00 -0.03 0.00 0.00 54.58 53.41 3b83 n ASN 39 Cb 0.25 -2.89 -0.11 0.00 -0.61 0.00 0.00 39.78 36.43 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b83 s ASP 40 N -3.96 2.78 0.60 6.41 -1.08 -1.03 -4.97 116.67 115.41 3b83 s ASP 40 Ca 0.28 -3.35 0.30 0.00 -0.52 0.00 0.00 52.55 49.26 3b83 s ASP 40 Cb -0.15 -0.90 1.23 0.00 -1.46 0.00 0.00 42.92 41.64 3b83 s ASP 40 CO 0.91 -0.14 1.59 -0.65 0.52 0.00 0.00 175.17 177.39 3b83 h PRO 41 N 5.58 0.00 -0.06 4.34 0.11 -1.92 0.63 132.00 140.68 3b83 h PRO 41 Ca 0.21 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.28 3b83 h PRO 41 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3b83 h PRO 41 CO 0.50 0.00 -0.14 0.77 -0.21 0.00 0.00 178.00 178.93 3b83 h SER 42 N 0.00 0.23 -1.06 -2.05 0.02 -1.96 -3.36 113.55 105.38 3b83 h SER 42 Ca 0.41 -0.57 -0.73 0.00 -0.84 0.00 0.00 61.79 60.06 3b83 h SER 42 Cb 2.24 -0.07 -0.11 0.00 0.14 0.00 0.00 62.40 64.60 3b83 h SER 42 CO -0.00 0.76 2.50 -0.67 -1.14 0.00 0.00 176.83 178.28 3b83 n ASP 43 N -4.62 8.09 -4.12 3.07 2.03 0.21 -4.93 116.55 116.28 3b83 n ASP 43 Ca -0.08 -3.10 -0.32 0.00 0.52 0.00 0.00 54.79 51.81 3b83 n ASP 43 Cb 0.37 -1.37 -0.16 0.00 -0.72 0.00 0.00 41.12 39.24 3b83 n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3b83 s GLU 44 N -0.90 2.92 -0.08 -0.67 2.02 -1.26 -3.40 118.70 117.33 3b83 s GLU 44 Ca 0.55 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 3b83 s GLU 44 Cb 0.19 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 3b83 s GLU 44 CO -0.09 -0.15 -0.03 0.99 0.02 0.00 0.00 175.26 175.99 3b83 s THR 45 N 1.16 4.02 -0.02 3.63 2.01 0.14 -4.96 115.64 121.62 3b83 s THR 45 Ca 0.01 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.71 3b83 s THR 45 Cb -0.14 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 3b83 s THR 45 CO -0.09 0.60 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.35 3b83 s THR 46 N -0.80 1.54 -0.05 -0.82 2.01 -1.26 -0.86 115.64 115.40 3b83 s THR 46 Ca 0.12 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3b83 s THR 46 Cb -0.11 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.11 3b83 s THR 46 CO 0.02 0.44 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.55 3b83 s VAL 47 N -0.36 1.26 -0.34 3.82 1.01 -0.25 -4.97 120.40 120.56 3b83 s VAL 47 Ca 0.05 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 3b83 s VAL 47 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3b83 s VAL 47 CO -0.00 0.37 0.30 -0.62 0.00 0.00 0.00 175.10 175.16 3b83 s ASP 48 N 0.23 6.12 0.40 3.32 2.15 -1.26 -1.58 116.67 126.05 3b83 s ASP 48 Ca -0.07 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 52.68 3b83 s ASP 48 Cb -0.12 -2.17 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 3b83 s ASP 48 CO 0.02 -0.28 0.06 -0.76 -0.17 0.00 0.00 175.17 174.04 3b83 s LEU 49 N 1.88 2.96 0.08 -1.34 1.43 -0.05 -4.96 118.68 118.68 3b83 s LEU 49 Ca 0.09 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 51.78 3b83 s LEU 49 Cb -0.17 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.84 3b83 s LEU 49 CO 0.11 -0.44 0.58 0.28 0.23 0.00 0.00 176.35 177.11 3b83 s THR 50 N -2.64 4.72 -0.36 5.49 -1.32 -1.26 -0.93 115.64 119.33 3b83 s THR 50 Ca 0.37 1.25 0.11 0.00 -1.21 0.00 0.00 61.69 62.20 3b83 s THR 50 Cb 0.06 -3.91 0.11 0.00 -1.51 0.00 0.00 72.50 67.25 3b83 s THR 50 CO 0.20 0.55 1.26 -1.54 -2.21 0.00 0.00 174.62 172.88 3b83 n SER 51 N 1.72 0.28 -0.11 8.08 3.41 -1.26 -1.27 113.62 124.47 3b83 n SER 51 Ca -0.10 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 3b83 n SER 51 Cb 0.51 -0.57 0.69 0.00 -0.26 0.00 0.00 64.21 64.58 3b83 n SER 51 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b83 n SER 52 N -1.87 0.34 -4.74 4.04 3.41 -1.26 -4.74 113.62 108.79 3b83 n SER 52 Ca -0.01 -1.29 -0.36 0.00 -0.26 0.00 0.00 58.87 56.96 3b83 n SER 52 Cb 0.15 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 3b83 n SER 52 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b83 s ILE 53 N -1.98 4.82 0.00 -1.33 1.01 -0.39 -5.01 121.20 118.32 3b83 s ILE 53 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3b83 s ILE 53 Cb 0.18 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3b83 s ILE 53 CO 0.29 0.58 0.74 0.35 0.00 0.00 0.00 174.94 176.91 3b83 n THR 54 N 2.36 0.52 -3.58 2.92 -2.24 -1.26 -4.94 114.28 108.06 3b83 n THR 54 Ca -0.19 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 60.91 3b83 n THR 54 Cb 0.54 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 3b83 n THR 54 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3b83 s SER 55 N -0.52 -0.58 0.05 3.42 0.15 -1.26 -2.40 113.70 112.56 3b83 s SER 55 Ca 0.00 0.86 0.01 0.00 0.70 0.00 0.00 55.95 57.53 3b83 s SER 55 Cb 0.00 0.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 3b83 s SER 55 CO 0.00 -0.37 -0.06 -0.76 1.20 0.00 0.00 173.24 173.24 3b83 s LEU 56 N -0.51 2.33 -0.16 3.45 1.43 -0.63 -4.99 118.68 119.60 3b83 s LEU 56 Ca -0.04 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3b83 s LEU 56 Cb -0.02 -0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.13 3b83 s LEU 56 CO 0.03 -0.31 -0.18 -0.89 0.23 0.00 0.00 176.35 175.22 3b83 s THR 57 N -2.13 2.29 -0.06 5.49 2.01 -1.26 -0.75 115.64 121.23 3b83 s THR 57 Ca -0.04 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 3b83 s THR 57 Cb -0.05 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3b83 s THR 57 CO -0.02 0.53 0.23 -0.76 -0.69 0.00 0.00 174.62 173.91 3b83 s LEU 58 N 1.04 4.40 0.00 4.42 1.43 0.15 -4.96 118.68 125.16 3b83 s LEU 58 Ca -0.01 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 3b83 s LEU 58 Cb -0.14 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3b83 s LEU 58 CO -0.06 0.34 0.12 0.35 0.23 0.00 0.00 176.35 177.33 3b83 n THR 59 N 1.67 0.00 -2.30 5.49 -2.24 -1.26 -2.20 114.28 113.44 3b83 n THR 59 Ca -0.16 -2.35 -0.17 0.00 -2.27 0.00 0.00 64.05 59.10 3b83 n THR 59 Cb 0.54 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 3b83 n THR 59 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3b83 n ASN 60 N -1.48 -4.99 -4.81 3.42 5.15 -1.15 -4.93 115.26 106.47 3b83 n ASN 60 Ca -0.09 0.12 -0.35 0.00 -0.60 0.00 0.00 54.58 53.66 3b83 n ASN 60 Cb 0.61 -4.22 -0.06 0.00 -0.53 0.00 0.00 39.78 35.58 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3b83 s LEU 61 N -5.65 4.24 0.06 1.20 1.43 -0.36 -5.02 118.68 114.57 3b83 s LEU 61 Ca 0.00 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 54.41 3b83 s LEU 61 Cb 0.00 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3b83 s LEU 61 CO 0.00 -0.10 0.95 -0.70 0.23 0.00 0.00 176.35 176.73 3b83 s GLU 62 N -2.33 4.63 0.62 1.70 2.12 -1.26 -4.31 118.70 119.86 3b83 s GLU 62 Ca 0.50 1.40 -0.18 0.00 0.36 0.00 0.00 54.97 57.06 3b83 s GLU 62 Cb -0.15 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 3b83 s GLU 62 CO 0.20 0.11 0.73 -2.30 -0.54 0.00 0.00 175.26 173.46 3b83 n PRO 63 N 3.26 0.62 -4.02 4.30 -0.02 -1.19 -3.42 135.00 134.53 3b83 n PRO 63 Ca 0.03 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 3b83 n PRO 63 Cb 0.50 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3b83 n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3b83 n ASN 64 N -0.29 -2.73 -4.04 2.55 4.05 0.10 -4.97 115.26 109.94 3b83 n ASN 64 Ca 0.12 -1.18 -0.14 0.00 0.45 0.00 0.00 54.58 53.83 3b83 n ASN 64 Cb 0.48 -2.28 -0.12 0.00 1.23 0.00 0.00 39.78 39.09 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3b83 s THR 65 N -3.76 0.52 -0.12 -0.44 2.01 -1.22 -4.90 115.64 107.73 3b83 s THR 65 Ca 0.31 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.30 3b83 s THR 65 Cb -0.15 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3b83 s THR 65 CO 0.94 -0.23 0.44 -0.89 -0.69 0.00 0.00 174.62 174.19 3b83 s THR 66 N -1.01 5.21 0.02 -0.82 2.01 -1.26 -1.18 115.64 118.61 3b83 s THR 66 Ca -0.06 0.87 0.07 0.00 0.31 0.00 0.00 61.69 62.87 3b83 s THR 66 Cb -0.08 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 3b83 s THR 66 CO 0.00 0.34 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.77 3b83 s TYR 67 N 0.55 1.76 0.03 4.92 1.51 0.99 -0.49 117.35 126.63 3b83 s TYR 67 Ca 0.24 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3b83 s TYR 67 Cb -0.15 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3b83 s TYR 67 CO 0.09 0.04 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.47 3b83 s GLU 68 N -0.87 2.37 -0.06 -0.62 2.12 -0.75 -1.55 118.70 119.34 3b83 s GLU 68 Ca 0.07 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.58 3b83 s GLU 68 Cb -0.08 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.93 3b83 s GLU 68 CO 0.01 0.57 -0.07 0.42 -0.54 0.00 0.00 175.26 175.64 3b83 s ILE 69 N -1.03 0.81 -0.04 -3.70 1.01 -0.79 -2.60 121.20 114.85 3b83 s ILE 69 Ca 0.18 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.63 3b83 s ILE 69 Cb -0.11 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3b83 s ILE 69 CO 0.09 0.29 -0.22 -0.13 0.00 0.00 0.00 174.94 174.98 3b83 s ARG 70 N 1.01 2.04 -0.13 2.79 0.52 0.01 -2.08 118.95 123.11 3b83 s ARG 70 Ca -0.09 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 3b83 s ARG 70 Cb -0.14 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.53 3b83 s ARG 70 CO -0.00 0.37 -0.14 0.42 0.02 0.00 0.00 175.30 175.96 3b83 s ILE 71 N -0.22 1.53 0.07 1.52 1.01 -0.43 -1.05 121.20 123.63 3b83 s ILE 71 Ca 0.01 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3b83 s ILE 71 Cb -0.11 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3b83 s ILE 71 CO 0.02 0.45 -0.21 -0.69 0.00 0.00 0.00 174.94 174.51 3b83 s VAL 72 N 1.28 2.63 -0.16 2.92 1.01 -0.15 -2.73 120.40 125.20 3b83 s VAL 72 Ca 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 3b83 s VAL 72 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3b83 s VAL 72 CO -0.07 0.26 -0.03 0.00 0.00 0.00 0.00 175.10 175.26 3b83 s ALA 73 N -0.97 3.02 0.09 5.51 0.00 -1.26 -0.15 121.76 128.01 3b83 s ALA 73 Ca 0.15 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.35 3b83 s ALA 73 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 3b83 s ALA 73 CO 0.06 0.18 -0.15 -0.98 0.00 0.00 0.00 175.76 174.86 3b83 s ARG 74 N 0.42 1.97 -0.47 0.00 1.70 -0.01 -1.17 118.95 121.40 3b83 s ARG 74 Ca -0.03 -1.08 0.06 0.00 -0.47 0.00 0.00 55.73 54.21 3b83 s ARG 74 Cb -0.14 -2.20 0.18 0.00 -0.57 0.00 0.00 34.95 32.22 3b83 s ARG 74 CO 0.03 0.50 0.56 1.21 -1.08 0.00 0.00 175.30 176.52 3b83 s ASN 75 N -1.99 -0.21 0.97 -2.89 2.47 -0.54 -2.47 114.94 110.28 3b83 s ASN 75 Ca 0.18 -2.32 0.00 0.00 0.42 0.00 0.00 52.86 51.15 3b83 s ASN 75 Cb -0.11 0.88 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 3b83 s ASN 75 CO 0.10 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.99 3b83 n GLY 76 N 2.90 1.32 0.03 1.21 0.00 -1.26 -3.43 105.19 105.96 3b83 n GLY 76 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3b83 n GLY 76 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b83 n GLN 77 N 11.61 0.96 -4.35 1.61 6.02 -1.26 -4.84 117.38 127.13 3b83 n GLN 77 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3b83 n GLN 77 Cb 0.00 -1.03 -0.13 0.00 1.02 0.00 0.00 30.24 30.09 3b83 n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3b83 s GLN 78 N -1.93 0.94 -0.03 -1.09 -0.21 -1.22 -5.13 119.66 110.99 3b83 s GLN 78 Ca 0.00 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.66 3b83 s GLN 78 Cb 0.00 -0.96 -0.01 0.00 1.00 0.00 0.00 33.01 33.05 3b83 s GLN 78 CO 0.00 0.24 -0.18 0.71 -2.12 0.00 0.00 175.29 173.94 3b83 s TYR 79 N -0.87 1.68 0.58 0.91 1.51 -1.26 -1.46 117.35 118.44 3b83 s TYR 79 Ca 0.02 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 3b83 s TYR 79 Cb -0.08 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 3b83 s TYR 79 CO 0.01 -0.11 0.98 -1.54 -1.11 0.00 0.00 175.55 173.79 3b83 s SER 80 N -0.16 6.31 0.83 2.29 1.04 -0.31 -4.77 113.70 118.91 3b83 s SER 80 Ca 0.01 1.36 -0.11 0.00 0.48 0.00 0.00 55.95 57.69 3b83 s SER 80 Cb -0.10 -2.44 0.09 0.00 0.10 0.00 0.00 66.02 63.68 3b83 s SER 80 CO 0.01 -0.77 1.15 -2.16 0.98 0.00 0.00 173.24 172.45 3b83 s PRO 81 N -4.90 1.63 0.51 4.02 0.04 -1.26 -4.53 135.00 130.51 3b83 s PRO 81 Ca 0.54 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 3b83 s PRO 81 Cb -0.11 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3b83 s PRO 81 CO 0.48 -2.17 0.81 -1.25 0.04 0.00 0.00 177.00 174.92 3b83 s PRO 82 N -4.51 3.37 -0.12 0.56 0.04 -1.26 -4.62 135.00 128.46 3b83 s PRO 82 Ca 0.67 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.87 3b83 s PRO 82 Cb -0.23 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 31.97 3b83 s PRO 82 CO 0.54 -0.34 -0.21 0.08 0.04 0.00 0.00 177.00 177.11 3b83 s VAL 83 N -2.80 1.88 0.38 -0.36 1.01 -1.11 -4.95 120.40 114.45 3b83 s VAL 83 Ca 0.49 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3b83 s VAL 83 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3b83 s VAL 83 CO 0.45 0.52 0.20 -0.94 0.00 0.00 0.00 175.10 175.33 3b83 s SER 84 N 0.69 2.30 0.16 3.32 1.04 -1.26 -1.31 113.70 118.64 3b83 s SER 84 Ca -0.11 -1.73 -0.24 0.00 0.48 0.00 0.00 55.95 54.35 3b83 s SER 84 Cb -0.16 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.58 3b83 s SER 84 CO 0.02 -1.01 0.70 0.28 0.98 0.00 0.00 173.24 174.20 3b83 s THR 85 N -3.31 0.00 0.02 2.02 -1.32 -0.89 -4.97 115.64 107.19 3b83 s THR 85 Ca 0.31 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 3b83 s THR 85 Cb 0.02 -1.29 -0.02 0.00 -1.51 0.00 0.00 72.50 69.70 3b83 s THR 85 CO 0.21 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.56 3b83 s THR 86 N -3.66 1.35 0.04 5.08 2.01 -1.26 -1.88 115.64 117.31 3b83 s THR 86 Ca 0.05 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 3b83 s THR 86 Cb -0.02 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.35 3b83 s THR 86 CO -0.07 0.21 0.34 0.72 -0.69 0.00 0.00 174.62 175.13 3b83 s PHE 87 N -0.65 -0.16 -0.07 4.92 -0.12 -0.59 -4.99 117.98 116.32 3b83 s PHE 87 Ca 0.05 0.07 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 3b83 s PHE 87 Cb -0.07 0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.44 3b83 s PHE 87 CO 0.01 -0.52 -0.22 0.99 -0.05 0.00 0.00 175.22 175.43 3b83 s THR 88 N -2.43 1.84 0.59 -4.49 2.01 -1.26 -0.01 115.64 111.89 3b83 s THR 88 Ca -0.06 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 3b83 s THR 88 Cb -0.01 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 3b83 s THR 88 CO -0.02 0.51 1.10 0.42 -0.69 0.00 0.00 174.62 175.94 3b83 s THR 89 N 0.10 3.34 1.19 -0.82 -4.23 -0.33 -4.89 115.64 110.00 3b83 s THR 89 Ca -0.09 0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 60.98 3b83 s THR 89 Cb -0.15 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.69 3b83 s THR 89 CO 0.05 -0.29 0.62 0.61 -0.54 0.00 0.00 174.62 175.07 3b83 n GLY 90 N -0.30 -2.38 3.24 3.99 0.00 -0.24 -3.16 105.19 106.34 3b83 n GLY 90 Ca 0.11 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3b83 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b83 s SER 91 N -2.20 1.77 0.59 1.61 1.04 -1.26 0.02 113.70 115.27 3b83 s SER 91 Ca 0.64 -0.97 0.37 0.00 0.48 0.00 0.00 55.95 56.46 3b83 s SER 91 Cb -0.20 -0.01 1.72 0.00 0.10 0.00 0.00 66.02 67.63 3b83 s SER 91 CO 0.65 -0.31 2.12 -0.07 0.98 0.00 0.00 173.24 176.61 3b83 h LEU 92 N 2.92 0.00 0.00 2.42 3.38 -1.96 -3.49 115.31 118.59 3b83 h LEU 92 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3b83 h LEU 92 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3b83 h LEU 92 CO 0.61 0.02 0.00 -1.84 0.09 0.00 0.00 178.44 177.32