#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b83 s GLN 2 N 0.00 0.28 0.68 1.96 2.00 -1.26 -4.99 119.66 118.34 3b83 s GLN 2 Ca 0.00 0.58 -0.03 0.00 -2.00 0.00 0.00 55.36 53.91 3b83 s GLN 2 Cb 0.00 0.33 0.08 0.00 0.80 0.00 0.00 33.01 34.23 3b83 s GLN 2 CO 0.00 -0.24 0.96 -1.25 -0.50 0.00 0.00 175.29 174.26 3b83 s PRO 3 N 2.76 2.03 0.00 1.67 0.04 -1.26 -4.63 135.00 135.61 3b83 s PRO 3 Ca 0.02 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.38 3b83 s PRO 3 Cb -0.10 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3b83 s PRO 3 CO -0.15 -1.23 0.00 -2.30 0.04 0.00 0.00 177.00 173.36 3b83 n PRO 4 N -2.79 2.64 0.00 0.56 -0.02 -1.26 -4.28 135.00 129.85 3b83 n PRO 4 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3b83 n PRO 4 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3b83 n PRO 4 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3b83 n PHE 5 N -0.01 0.00 -2.36 6.00 1.16 -1.09 -4.90 117.46 116.27 3b83 n PHE 5 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 3b83 n PHE 5 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3b83 n PHE 5 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3b83 n ASN 6 N 0.00 -3.41 -4.70 5.98 3.02 -1.26 -1.27 115.26 113.62 3b83 n ASN 6 Ca 0.00 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 3b83 n ASN 6 Cb 0.00 -2.52 -0.03 0.00 -0.61 0.00 0.00 39.78 36.62 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3b83 n ILE 7 N -3.93 0.44 -3.78 2.41 5.41 -1.26 -4.50 119.36 114.15 3b83 n ILE 7 Ca -0.09 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.41 3b83 n ILE 7 Cb 0.57 -1.78 -0.15 0.00 -0.71 0.00 0.00 39.64 37.57 3b83 n ILE 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3b83 s LYS 8 N 0.38 0.02 -0.20 0.38 1.02 -0.05 -4.99 119.74 116.30 3b83 s LYS 8 Ca 0.72 0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 3b83 s LYS 8 Cb -0.57 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 3b83 s LYS 8 CO 0.41 -0.14 0.12 0.08 -0.92 0.00 0.00 175.35 174.90 3b83 s VAL 9 N 0.91 5.29 0.46 3.17 1.01 -1.26 -0.97 120.40 129.00 3b83 s VAL 9 Ca -0.07 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3b83 s VAL 9 Cb -0.10 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3b83 s VAL 9 CO -0.03 0.43 0.02 -0.89 0.00 0.00 0.00 175.10 174.63 3b83 s THR 10 N 0.45 1.65 -0.41 3.92 2.01 0.20 -4.88 115.64 118.57 3b83 s THR 10 Ca 0.07 -1.98 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 3b83 s THR 10 Cb -0.12 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.78 3b83 s THR 10 CO -0.01 0.00 0.22 0.59 -0.69 0.00 0.00 174.62 174.73 3b83 n ASN 11 N -1.12 -1.30 -4.60 3.53 4.13 -1.26 -1.51 115.26 113.14 3b83 n ASN 11 Ca -0.11 -0.44 -0.43 0.00 1.68 0.00 0.00 54.58 55.28 3b83 n ASN 11 Cb 0.67 -0.53 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 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 -4.47 3.83 0.00 2.41 1.01 -1.26 -4.23 121.20 118.49 3b83 s ILE 12 Ca 0.16 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3b83 s ILE 12 Cb -0.09 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3b83 s ILE 12 CO 0.33 -0.79 0.00 0.35 0.00 0.00 0.00 174.94 174.83 3b83 n THR 13 N 7.09 0.00 -0.05 2.92 -2.24 -0.61 -4.63 114.28 116.76 3b83 n THR 13 Ca 0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.80 3b83 n THR 13 Cb 0.48 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.50 -2.16 3.22 3.38 -1.94 -2.07 115.31 116.24 3b83 h LEU 14 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3b83 h LEU 14 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3b83 h LEU 14 CO 0.00 0.97 -0.12 0.35 0.09 0.00 0.00 178.44 179.73 3b83 n THR 15 N -4.40 0.64 -4.28 0.22 -2.24 -1.26 -3.85 114.28 99.11 3b83 n THR 15 Ca -0.07 -0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 3b83 n THR 15 Cb 0.47 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.85 0.56 -0.20 4.28 -4.23 -1.26 -1.91 115.64 112.04 3b83 s THR 16 Ca 0.07 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 3b83 s THR 16 Cb 0.06 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.58 3b83 s THR 16 CO 0.01 -0.15 1.10 0.00 -0.54 0.00 0.00 174.62 175.04 3b83 s ALA 17 N -3.75 -1.99 -0.21 3.99 0.00 -0.69 -1.58 121.76 117.54 3b83 s ALA 17 Ca 0.34 1.68 -0.06 0.00 0.00 0.00 0.00 51.96 53.92 3b83 s ALA 17 Cb 0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3b83 s ALA 17 CO 0.10 -0.29 0.01 0.08 0.00 0.00 0.00 175.76 175.67 3b83 s VAL 18 N -1.07 4.05 -0.17 0.00 1.01 -0.57 0.27 120.40 123.92 3b83 s VAL 18 Ca 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3b83 s VAL 18 Cb -0.01 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3b83 s VAL 18 CO -0.01 0.41 -0.01 -0.69 0.00 0.00 0.00 175.10 174.80 3b83 s VAL 19 N 1.08 4.05 0.12 2.92 1.01 0.94 0.59 120.40 131.11 3b83 s VAL 19 Ca 0.03 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3b83 s VAL 19 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3b83 s VAL 19 CO 0.02 0.47 -0.15 0.42 0.00 0.00 0.00 175.10 175.86 3b83 s THR 20 N 0.54 1.43 0.29 3.92 -4.23 -0.14 -0.98 115.64 116.47 3b83 s THR 20 Ca -0.02 -1.71 -0.20 0.00 -1.18 0.00 0.00 61.69 58.59 3b83 s THR 20 Cb -0.14 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 72.17 3b83 s THR 20 CO 0.02 -0.35 0.71 -1.66 -0.54 0.00 0.00 174.62 172.79 3b83 s TRP 21 N -1.98 -0.10 -0.09 3.99 -2.14 -0.93 -0.88 118.94 116.81 3b83 s TRP 21 Ca 0.09 -0.37 -0.01 0.00 2.66 0.00 0.00 56.10 58.47 3b83 s TRP 21 Cb -0.06 0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 30.96 3b83 s TRP 21 CO 0.04 -1.25 -0.05 -0.65 -2.66 0.00 0.00 176.95 172.37 3b83 s GLN 22 N -3.76 3.01 0.70 3.25 -1.52 -0.40 -4.81 119.66 116.13 3b83 s GLN 22 Ca 0.13 -0.52 -0.11 0.00 -1.95 0.00 0.00 55.36 52.91 3b83 s GLN 22 Cb -0.05 -2.70 0.01 0.00 -0.22 0.00 0.00 33.01 30.04 3b83 s GLN 22 CO 0.08 0.57 1.06 -2.14 -0.25 0.00 0.00 175.29 174.61 3b83 s PRO 23 N -0.54 2.92 0.65 2.91 0.02 -1.26 -2.66 135.00 137.03 3b83 s PRO 23 Ca 0.08 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.75 3b83 s PRO 23 Cb -0.12 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 3b83 s PRO 23 CO 0.02 -1.07 1.23 -2.14 -0.33 0.00 0.00 177.00 174.71 3b83 s PRO 24 N -5.12 2.63 0.27 5.54 0.02 -1.26 -4.83 135.00 132.25 3b83 s PRO 24 Ca 0.58 1.87 0.10 0.00 0.02 0.00 0.00 61.00 63.57 3b83 s PRO 24 Cb -0.13 -1.88 0.35 0.00 0.02 0.00 0.00 34.50 32.85 3b83 s PRO 24 CO 0.54 -1.49 1.61 0.82 -0.33 0.00 0.00 177.00 178.15 3b83 h ILE 25 N 0.47 1.44 -3.27 2.83 2.04 -1.92 -3.44 117.51 115.65 3b83 h ILE 25 Ca -0.50 -2.11 -0.56 0.00 1.00 0.00 0.00 64.86 62.69 3b83 h ILE 25 Cb 1.31 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 3b83 h ILE 25 CO 0.53 0.60 -0.22 -0.76 0.00 0.00 0.00 178.15 178.31 3b83 s LEU 26 N -7.63 4.24 0.26 1.44 1.43 -1.26 -5.04 118.68 112.12 3b83 s LEU 26 Ca -0.02 0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 53.54 3b83 s LEU 26 Cb 0.13 -3.41 -0.11 0.00 0.03 0.00 0.00 46.19 42.82 3b83 s LEU 26 CO 0.77 0.02 1.61 -2.84 0.23 0.00 0.00 176.35 176.14 3b83 s PRO 27 N -2.60 4.14 0.10 1.29 0.02 -1.26 -5.01 135.00 131.68 3b83 s PRO 27 Ca 0.42 2.55 0.03 0.00 0.02 0.00 0.00 61.00 64.02 3b83 s PRO 27 Cb -0.12 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3b83 s PRO 27 CO 0.22 -0.64 -0.08 0.96 -0.33 0.00 0.00 177.00 177.13 3b83 s ILE 28 N 0.33 0.84 -0.09 2.83 -4.36 -1.26 -4.99 121.20 114.51 3b83 s ILE 28 Ca 0.66 -1.79 -0.22 0.00 -0.26 0.00 0.00 60.65 59.04 3b83 s ILE 28 Cb -0.48 -1.52 -0.29 0.00 1.25 0.00 0.00 42.46 41.42 3b83 s ILE 28 CO 0.43 -0.71 0.76 -0.33 0.24 0.00 0.00 174.94 175.33 3b83 h GLU 29 N 3.25 0.22 -3.80 0.37 5.08 -1.75 -3.44 114.58 114.50 3b83 h GLU 29 Ca -0.36 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.42 3b83 h GLU 29 Cb 1.18 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 3b83 h GLU 29 CO 0.59 1.18 -0.05 0.20 -1.00 0.00 0.00 179.01 179.92 3b83 s GLY 30 N -4.53 1.18 -0.02 -3.84 0.00 -1.18 -4.47 107.32 94.45 3b83 s GLY 30 Ca -0.17 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.26 3b83 s GLY 30 CO 0.78 -0.80 -0.01 -0.42 0.00 0.00 0.00 173.10 172.65 3b83 s ILE 31 N -2.82 0.19 -0.28 0.90 1.01 0.22 -1.92 121.20 118.50 3b83 s ILE 31 Ca 0.26 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 3b83 s ILE 31 Cb -0.02 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.17 3b83 s ILE 31 CO 0.18 0.13 0.13 -0.76 0.00 0.00 0.00 174.94 174.62 3b83 s LEU 32 N 0.78 3.85 -0.19 2.97 1.43 0.13 0.46 118.68 128.11 3b83 s LEU 32 Ca -0.08 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3b83 s LEU 32 Cb -0.11 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3b83 s LEU 32 CO -0.01 -0.11 -0.05 -0.69 0.23 0.00 0.00 176.35 175.72 3b83 s VAL 33 N 1.65 3.53 0.02 -1.59 1.01 -0.65 -0.56 120.40 123.81 3b83 s VAL 33 Ca 0.06 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3b83 s VAL 33 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3b83 s VAL 33 CO 0.06 0.46 -0.24 -0.89 0.00 0.00 0.00 175.10 174.49 3b83 s THR 34 N 0.93 1.96 0.04 3.92 2.01 0.28 -1.49 115.64 123.30 3b83 s THR 34 Ca -0.00 -1.23 -0.15 0.00 0.31 0.00 0.00 61.69 60.62 3b83 s THR 34 Cb -0.15 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.73 3b83 s THR 34 CO 0.01 0.39 0.34 0.72 -0.69 0.00 0.00 174.62 175.39 3b83 s PHE 35 N -0.72 -0.16 0.00 4.92 -0.12 -0.73 -1.01 117.98 120.16 3b83 s PHE 35 Ca 0.10 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 3b83 s PHE 35 Cb -0.09 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.43 3b83 s PHE 35 CO 0.01 -0.52 0.00 0.41 -0.05 0.00 0.00 175.22 175.07 3b83 n GLY 36 N 0.57 -0.93 3.75 1.99 0.00 -1.18 -1.13 105.19 108.26 3b83 n GLY 36 Ca -0.19 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3b83 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b83 s ARG 37 N -2.00 4.18 0.50 1.61 0.52 -1.26 -1.05 118.95 121.46 3b83 s ARG 37 Ca 0.00 2.46 0.17 0.00 -0.52 0.00 0.00 55.73 57.84 3b83 s ARG 37 Cb 0.00 -3.06 1.23 0.00 0.52 0.00 0.00 34.95 33.64 3b83 s ARG 37 CO 0.00 -0.54 2.10 -0.22 0.02 0.00 0.00 175.30 176.66 3b83 h LYS 38 N 4.91 0.09 -0.96 3.54 3.64 -1.68 -3.01 116.57 123.10 3b83 h LYS 38 Ca -0.47 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.29 3b83 h LYS 38 Cb 1.22 -0.02 -0.36 0.00 -0.41 0.00 0.00 32.23 32.66 3b83 h LYS 38 CO 0.78 0.06 0.01 0.09 -2.27 0.00 0.00 179.45 178.12 3b83 n ASN 39 N -4.50 6.24 -3.18 4.20 3.02 -1.26 -4.81 115.26 114.98 3b83 n ASN 39 Ca 0.01 -3.77 -0.04 0.00 -0.03 0.00 0.00 54.58 50.76 3b83 n ASN 39 Cb 0.21 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.70 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 -2.71 -0.97 0.00 6.41 -1.08 -1.14 -5.01 116.67 112.17 3b83 s ASP 40 Ca 0.57 -1.12 0.10 0.00 -0.52 0.00 0.00 52.55 51.58 3b83 s ASP 40 Cb 0.45 1.65 0.43 0.00 -1.46 0.00 0.00 42.92 43.99 3b83 s ASP 40 CO -0.02 -0.17 1.32 -2.65 0.52 0.00 0.00 175.17 174.17 3b83 n PRO 41 N 4.14 0.00 -0.15 4.34 -0.02 -1.26 -1.78 135.00 140.27 3b83 n PRO 41 Ca 0.13 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3b83 n PRO 41 Cb 0.54 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.77 3b83 n PRO 41 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3b83 n SER 42 N -1.50 2.96 -0.01 2.55 3.41 -1.26 -4.07 113.62 115.70 3b83 n SER 42 Ca 0.02 -1.92 0.09 0.00 -0.26 0.00 0.00 58.87 56.80 3b83 n SER 42 Cb 0.12 -0.19 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 3b83 n SER 42 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3b83 n ASP 43 N 1.18 0.82 -4.59 4.04 2.03 -0.73 -5.02 116.55 114.27 3b83 n ASP 43 Ca 0.18 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 55.05 3b83 n ASP 43 Cb 0.53 1.82 0.00 0.00 -0.72 0.00 0.00 41.12 42.76 3b83 n ASP 43 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3b83 n GLU 44 N -2.13 1.32 -4.45 -0.67 1.02 -1.25 -4.77 120.64 109.72 3b83 n GLU 44 Ca -0.03 0.47 -0.22 0.00 -0.02 0.00 0.00 57.16 57.36 3b83 n GLU 44 Cb 0.47 -1.93 -0.16 0.00 -0.02 0.00 0.00 31.44 29.80 3b83 n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3b83 s THR 45 N -1.20 0.90 0.05 2.62 2.01 -0.28 -4.96 115.64 114.77 3b83 s THR 45 Ca 0.61 -0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.28 3b83 s THR 45 Cb -0.61 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 3b83 s THR 45 CO 0.58 0.29 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.74 3b83 s THR 46 N 0.42 1.37 0.02 -0.82 2.01 -1.26 -1.77 115.64 115.61 3b83 s THR 46 Ca -0.08 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 60.83 3b83 s THR 46 Cb -0.12 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3b83 s THR 46 CO 0.01 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.18 3b83 s VAL 47 N -0.88 1.05 -0.30 3.82 1.01 -0.55 -5.00 120.40 119.55 3b83 s VAL 47 Ca 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3b83 s VAL 47 Cb -0.08 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3b83 s VAL 47 CO 0.02 0.08 0.11 -0.62 0.00 0.00 0.00 175.10 174.69 3b83 s ASP 48 N -0.89 5.32 0.49 3.32 2.15 -1.26 -1.64 116.67 124.16 3b83 s ASP 48 Ca 0.02 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 52.48 3b83 s ASP 48 Cb -0.07 -1.94 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 3b83 s ASP 48 CO 0.01 -0.18 0.34 -0.76 -0.17 0.00 0.00 175.17 174.41 3b83 s LEU 49 N 1.56 2.92 0.34 -1.34 1.43 0.17 -4.90 118.68 118.87 3b83 s LEU 49 Ca 0.04 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.03 3b83 s LEU 49 Cb -0.17 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3b83 s LEU 49 CO 0.04 -0.89 0.54 0.42 0.23 0.00 0.00 176.35 176.70 3b83 s THR 50 N -2.68 5.11 -0.97 5.49 -4.23 -1.26 -0.61 115.64 116.50 3b83 s THR 50 Ca 0.38 -0.47 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3b83 s THR 50 Cb -0.01 -3.86 0.07 0.00 1.34 0.00 0.00 72.50 70.04 3b83 s THR 50 CO 0.22 -0.55 1.28 -1.54 -0.54 0.00 0.00 174.62 173.49 3b83 n SER 51 N -1.75 0.03 0.01 3.99 3.41 -1.26 -2.40 113.62 115.64 3b83 n SER 51 Ca -0.05 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3b83 n SER 51 Cb 0.56 -0.52 0.25 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.54 0.50 -4.75 4.04 3.41 -1.26 -4.82 113.62 109.21 3b83 n SER 52 Ca 0.02 -0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.07 3b83 n SER 52 Cb 0.10 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.02 5.08 0.00 -1.33 1.01 -1.01 -4.97 121.20 116.96 3b83 s ILE 53 Ca 0.10 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3b83 s ILE 53 Cb 0.17 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3b83 s ILE 53 CO 0.70 0.38 0.93 0.35 0.00 0.00 0.00 174.94 177.30 3b83 n THR 54 N 3.20 0.87 -3.56 2.92 -2.24 -1.26 -4.91 114.28 109.30 3b83 n THR 54 Ca -0.07 -0.91 -0.10 0.00 -2.27 0.00 0.00 64.05 60.70 3b83 n THR 54 Cb 0.51 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 3b83 n THR 54 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3b83 s SER 55 N -0.87 -0.37 0.09 3.42 1.04 -1.26 -2.19 113.70 113.57 3b83 s SER 55 Ca 0.00 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.78 3b83 s SER 55 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3b83 s SER 55 CO 0.00 -0.40 -0.09 -0.76 0.98 0.00 0.00 173.24 172.97 3b83 s LEU 56 N -1.42 2.42 -0.10 2.42 1.02 -0.15 -4.99 118.68 117.88 3b83 s LEU 56 Ca -0.00 -0.84 0.03 0.00 0.02 0.00 0.00 54.13 53.34 3b83 s LEU 56 Cb -0.01 -0.24 0.00 0.00 0.02 0.00 0.00 46.19 45.97 3b83 s LEU 56 CO -0.01 -0.31 -0.21 -0.89 0.02 0.00 0.00 176.35 174.96 3b83 s THR 57 N -2.65 1.88 -0.06 5.49 2.01 -1.26 -0.04 115.64 121.01 3b83 s THR 57 Ca 0.06 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 3b83 s THR 57 Cb -0.01 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 3b83 s THR 57 CO -0.01 0.52 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.67 3b83 s LEU 58 N 0.52 3.48 0.35 4.42 1.43 0.14 -4.96 118.68 124.06 3b83 s LEU 58 Ca -0.15 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3b83 s LEU 58 Cb -0.17 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3b83 s LEU 58 CO 0.06 0.35 0.10 0.42 0.23 0.00 0.00 176.35 177.50 3b83 s THR 59 N -0.93 0.82 -1.75 5.49 -4.23 -1.26 -1.70 115.64 112.09 3b83 s THR 59 Ca 0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3b83 s THR 59 Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3b83 s THR 59 CO 0.04 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.71 3b83 n ASN 60 N -0.93 -5.11 -4.85 3.99 3.02 -0.94 -4.93 115.26 105.52 3b83 n ASN 60 Ca -0.03 0.30 -0.30 0.00 -0.03 0.00 0.00 54.58 54.51 3b83 n ASN 60 Cb 0.66 -4.16 0.05 0.00 -0.61 0.00 0.00 39.78 35.72 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b83 s LEU 61 N -4.28 2.95 0.17 3.41 1.43 -0.80 -5.02 118.68 116.53 3b83 s LEU 61 Ca 0.00 1.34 -0.19 0.00 -1.03 0.00 0.00 54.13 54.24 3b83 s LEU 61 Cb 0.00 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.98 3b83 s LEU 61 CO 0.00 -1.41 0.66 -0.70 0.23 0.00 0.00 176.35 175.13 3b83 s GLU 62 N -5.21 4.23 0.68 1.70 2.12 -1.26 -4.56 118.70 116.40 3b83 s GLU 62 Ca 0.58 0.80 -0.17 0.00 0.36 0.00 0.00 54.97 56.54 3b83 s GLU 62 Cb -0.12 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3b83 s GLU 62 CO 0.54 0.49 1.26 -2.14 -0.54 0.00 0.00 175.26 174.86 3b83 s PRO 63 N -1.68 2.39 -0.26 4.30 0.02 -1.25 -3.90 135.00 134.62 3b83 s PRO 63 Ca 0.38 1.96 -0.19 0.00 0.02 0.00 0.00 61.00 63.17 3b83 s PRO 63 Cb -0.18 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.53 3b83 s PRO 63 CO 0.21 -1.69 0.35 -1.71 -0.33 0.00 0.00 177.00 173.83 3b83 n ASN 64 N -2.20 -2.84 -3.76 2.53 2.85 0.20 -4.93 115.26 107.11 3b83 n ASN 64 Ca 0.15 -0.14 -0.13 0.00 -0.11 0.00 0.00 54.58 54.35 3b83 n ASN 64 Cb 0.49 -0.84 -0.09 0.00 1.24 0.00 0.00 39.78 40.58 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3b83 s THR 65 N -0.97 0.06 -0.26 -0.44 2.01 -1.25 -4.89 115.64 109.90 3b83 s THR 65 Ca 0.18 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 3b83 s THR 65 Cb -0.02 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3b83 s THR 65 CO 0.47 -0.26 0.16 -0.89 -0.69 0.00 0.00 174.62 173.40 3b83 s THR 66 N -1.33 5.10 0.19 -0.82 2.01 -1.26 -1.61 115.64 117.91 3b83 s THR 66 Ca -0.14 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.04 3b83 s THR 66 Cb -0.05 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3b83 s THR 66 CO 0.04 0.29 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.92 3b83 s TYR 67 N 1.58 2.75 -0.04 4.92 1.51 -0.23 -1.85 117.35 125.99 3b83 s TYR 67 Ca 0.07 -0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.00 3b83 s TYR 67 Cb -0.15 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3b83 s TYR 67 CO 0.08 0.53 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.87 3b83 s GLU 68 N -3.03 1.90 -0.12 -0.62 2.12 -0.21 -2.23 118.70 116.51 3b83 s GLU 68 Ca 0.27 -0.67 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 3b83 s GLU 68 Cb -0.09 -1.66 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 3b83 s GLU 68 CO 0.18 0.29 -0.11 0.42 -0.54 0.00 0.00 175.26 175.49 3b83 s ILE 69 N -0.05 3.25 -0.04 -3.70 1.01 -0.04 -3.12 121.20 118.51 3b83 s ILE 69 Ca -0.03 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3b83 s ILE 69 Cb -0.11 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3b83 s ILE 69 CO 0.02 0.54 -0.20 -0.13 0.00 0.00 0.00 174.94 175.17 3b83 s ARG 70 N 0.09 1.98 -0.11 2.79 0.52 -0.18 -1.26 118.95 122.78 3b83 s ARG 70 Ca -0.04 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3b83 s ARG 70 Cb -0.14 -1.72 0.02 0.00 0.52 0.00 0.00 34.95 33.63 3b83 s ARG 70 CO 0.04 0.30 -0.13 0.42 0.02 0.00 0.00 175.30 175.94 3b83 s ILE 71 N -0.06 1.37 -0.02 1.52 1.01 -0.07 -0.55 121.20 124.40 3b83 s ILE 71 Ca -0.03 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.12 3b83 s ILE 71 Cb -0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3b83 s ILE 71 CO 0.02 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.53 3b83 s VAL 72 N 1.14 1.33 0.26 2.92 1.01 0.28 -2.08 120.40 125.26 3b83 s VAL 72 Ca -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3b83 s VAL 72 Cb -0.14 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3b83 s VAL 72 CO -0.03 0.38 0.50 0.00 0.00 0.00 0.00 175.10 175.95 3b83 s ALA 73 N -0.24 3.69 0.03 5.51 0.00 -1.26 0.19 121.76 129.67 3b83 s ALA 73 Ca 0.03 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 3b83 s ALA 73 Cb -0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 3b83 s ALA 73 CO 0.00 0.30 -0.03 -0.98 0.00 0.00 0.00 175.76 175.05 3b83 s ARG 74 N -3.49 0.39 -0.29 0.00 1.70 -0.81 -1.67 118.95 114.78 3b83 s ARG 74 Ca 0.42 -0.77 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 3b83 s ARG 74 Cb -0.11 0.14 0.18 0.00 -0.57 0.00 0.00 34.95 34.59 3b83 s ARG 74 CO 0.30 -0.07 0.54 1.21 -1.08 0.00 0.00 175.30 176.20 3b83 s ASN 75 N -1.85 -1.03 0.58 -2.89 3.84 -0.11 -1.80 114.94 111.69 3b83 s ASN 75 Ca -0.10 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.25 3b83 s ASN 75 Cb -0.05 1.82 0.00 0.00 -0.55 0.00 0.00 41.25 42.47 3b83 s ASN 75 CO -0.03 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.59 3b83 n GLY 76 N 5.41 1.72 1.67 1.21 0.00 -1.26 -1.80 105.19 112.14 3b83 n GLY 76 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 3b83 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b83 n GLN 77 N 13.02 3.32 -3.90 1.61 -0.00 -1.26 -4.85 117.38 125.33 3b83 n GLN 77 Ca 0.00 -2.35 -0.36 0.00 -0.00 0.00 0.00 57.00 54.30 3b83 n GLN 77 Cb 0.00 -2.02 -0.12 0.00 -0.00 0.00 0.00 30.24 28.09 3b83 n GLN 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3b83 s GLN 78 N -2.38 3.65 -0.02 2.61 -1.52 -0.75 -5.09 119.66 116.16 3b83 s GLN 78 Ca 0.42 -0.49 0.08 0.00 -1.95 0.00 0.00 55.36 53.41 3b83 s GLN 78 Cb 0.33 -3.21 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 3b83 s GLN 78 CO 0.11 -0.08 -0.24 0.71 -0.25 0.00 0.00 175.29 175.53 3b83 s TYR 79 N 1.29 2.38 0.65 0.91 1.51 -1.26 -0.94 117.35 121.89 3b83 s TYR 79 Ca 0.04 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.61 3b83 s TYR 79 Cb -0.15 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3b83 s TYR 79 CO 0.02 0.00 1.00 -1.54 -1.11 0.00 0.00 175.55 173.93 3b83 s SER 80 N -0.67 5.54 0.59 2.29 1.04 -0.67 -4.27 113.70 117.55 3b83 s SER 80 Ca 0.10 0.95 -0.19 0.00 0.48 0.00 0.00 55.95 57.29 3b83 s SER 80 Cb -0.10 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 3b83 s SER 80 CO -0.01 -1.20 1.21 -2.16 0.98 0.00 0.00 173.24 172.07 3b83 s PRO 81 N -5.18 2.98 0.50 4.02 0.04 -1.26 -4.57 135.00 131.53 3b83 s PRO 81 Ca 0.56 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 3b83 s PRO 81 Cb -0.11 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3b83 s PRO 81 CO 0.49 -1.20 1.02 -1.25 0.04 0.00 0.00 177.00 176.09 3b83 s PRO 82 N -3.30 3.81 -0.19 0.56 0.04 -1.26 -4.67 135.00 129.99 3b83 s PRO 82 Ca 0.77 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 3b83 s PRO 82 Cb -0.31 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 3b83 s PRO 82 CO 0.34 -0.41 -0.05 0.08 0.04 0.00 0.00 177.00 177.00 3b83 s VAL 83 N -2.22 3.49 0.35 -0.36 1.01 -0.88 -4.93 120.40 116.86 3b83 s VAL 83 Ca 0.64 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3b83 s VAL 83 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3b83 s VAL 83 CO 0.24 0.45 0.06 -0.94 0.00 0.00 0.00 175.10 174.91 3b83 s SER 84 N 1.00 2.70 0.22 3.32 1.04 -1.26 -0.89 113.70 119.84 3b83 s SER 84 Ca 0.00 -1.42 -0.22 0.00 0.48 0.00 0.00 55.95 54.79 3b83 s SER 84 Cb -0.15 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.98 3b83 s SER 84 CO 0.00 -0.63 0.68 0.28 0.98 0.00 0.00 173.24 174.55 3b83 s THR 85 N -3.19 0.00 0.11 2.02 -1.32 -0.39 -4.94 115.64 107.94 3b83 s THR 85 Ca 0.34 -0.57 0.03 0.00 -1.21 0.00 0.00 61.69 60.27 3b83 s THR 85 Cb 0.08 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 3b83 s THR 85 CO 0.15 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.90 3b83 s THR 86 N -3.82 0.86 -0.01 5.08 -4.23 -1.26 -0.86 115.64 111.40 3b83 s THR 86 Ca 0.07 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 3b83 s THR 86 Cb -0.04 -1.74 0.10 0.00 1.34 0.00 0.00 72.50 72.17 3b83 s THR 86 CO -0.01 -0.83 0.94 0.72 -0.54 0.00 0.00 174.62 174.90 3b83 s PHE 87 N -3.52 -0.29 -0.01 3.99 -0.12 -0.95 -4.99 117.98 112.09 3b83 s PHE 87 Ca 0.13 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 3b83 s PHE 87 Cb 0.04 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.97 3b83 s PHE 87 CO -0.03 -0.53 -0.12 0.99 -0.05 0.00 0.00 175.22 175.48 3b83 s THR 88 N -3.04 0.98 0.62 -4.49 2.01 -1.26 -1.07 115.64 109.39 3b83 s THR 88 Ca 0.07 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 3b83 s THR 88 Cb -0.01 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3b83 s THR 88 CO -0.07 0.28 1.05 0.42 -0.69 0.00 0.00 174.62 175.61 3b83 s THR 89 N -0.22 4.02 0.87 -0.82 -4.23 -0.64 -4.87 115.64 109.75 3b83 s THR 89 Ca 0.03 0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 3b83 s THR 89 Cb -0.06 -3.45 0.06 0.00 1.34 0.00 0.00 72.50 70.39 3b83 s THR 89 CO -0.00 -0.67 0.82 0.61 -0.54 0.00 0.00 174.62 174.84 3b83 n GLY 90 N -1.47 -0.99 0.95 3.99 0.00 -0.78 -2.66 105.19 104.24 3b83 n GLY 90 Ca 0.08 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3b83 n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18