#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 4.44 0.23 3.17 2.96 -1.26 -4.96 118.68 123.25 3b83 s LEU 1 Ca 0.00 2.50 -0.31 0.00 -0.22 0.00 0.00 54.13 56.11 3b83 s LEU 1 Cb 0.00 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.96 3b83 s LEU 1 CO 0.00 -0.49 1.50 -1.10 -1.32 0.00 0.00 176.35 174.94 3b83 s GLN 2 N -0.87 4.23 0.70 1.98 -1.52 -1.26 -4.31 119.66 118.60 3b83 s GLN 2 Ca 0.53 2.36 -0.04 0.00 -1.95 0.00 0.00 55.36 56.26 3b83 s GLN 2 Cb -0.37 -3.11 0.09 0.00 -0.22 0.00 0.00 33.01 29.39 3b83 s GLN 2 CO 0.44 -0.51 0.98 -1.25 -0.25 0.00 0.00 175.29 174.70 3b83 s PRO 3 N 0.12 1.96 0.61 2.91 0.04 -1.26 -4.73 135.00 134.65 3b83 s PRO 3 Ca 0.63 -0.66 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 3b83 s PRO 3 Cb -0.43 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3b83 s PRO 3 CO 0.40 -1.30 1.03 -2.14 0.04 0.00 0.00 177.00 175.04 3b83 s PRO 4 N -5.16 3.47 0.28 0.56 0.02 -1.26 -4.07 135.00 128.83 3b83 s PRO 4 Ca 0.63 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 3b83 s PRO 4 Cb -0.08 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3b83 s PRO 4 CO 0.44 -0.68 0.34 -0.59 -0.33 0.00 0.00 177.00 176.18 3b83 s PHE 5 N -2.94 1.05 -1.26 6.54 -0.12 -0.49 -4.65 117.98 116.11 3b83 s PHE 5 Ca 0.58 -1.25 -0.06 0.00 -0.05 0.00 0.00 56.93 56.14 3b83 s PHE 5 Cb -0.12 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 3b83 s PHE 5 CO 0.47 -0.91 0.68 -1.71 -0.05 0.00 0.00 175.22 173.71 3b83 n ASN 6 N -0.85 -2.55 -4.77 1.98 4.05 -1.26 -1.36 115.26 110.50 3b83 n ASN 6 Ca 0.02 -0.90 -0.39 0.00 0.45 0.00 0.00 54.58 53.75 3b83 n ASN 6 Cb 0.63 -3.76 -0.03 0.00 1.23 0.00 0.00 39.78 37.85 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 -3.65 3.29 -0.05 -1.44 2.07 -1.26 -4.31 121.20 115.85 3b83 s ILE 7 Ca 0.17 1.17 -0.02 0.00 -1.41 0.00 0.00 60.65 60.56 3b83 s ILE 7 Cb -0.05 -3.70 0.03 0.00 0.13 0.00 0.00 42.46 38.88 3b83 s ILE 7 CO 0.84 0.19 0.09 -0.54 -1.91 0.00 0.00 174.94 173.61 3b83 s LYS 8 N -1.95 0.04 -0.27 3.50 -0.14 0.18 -4.99 119.74 116.10 3b83 s LYS 8 Ca 0.51 0.29 -0.06 0.00 -1.36 0.00 0.00 55.97 55.35 3b83 s LYS 8 Cb -0.31 -0.20 0.01 0.00 -1.68 0.00 0.00 37.83 35.64 3b83 s LYS 8 CO 0.40 -0.16 0.04 0.08 -0.76 0.00 0.00 175.35 174.95 3b83 s VAL 9 N 1.09 3.75 0.37 3.17 1.01 -1.26 -1.27 120.40 127.25 3b83 s VAL 9 Ca -0.09 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3b83 s VAL 9 Cb -0.12 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 3b83 s VAL 9 CO -0.04 0.16 0.02 0.28 0.00 0.00 0.00 175.10 175.52 3b83 s THR 10 N 1.48 1.66 -1.43 3.92 -1.32 0.19 -4.82 115.64 115.32 3b83 s THR 10 Ca 0.03 -2.01 -0.05 0.00 -1.21 0.00 0.00 61.69 58.45 3b83 s THR 10 Cb -0.17 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 67.98 3b83 s THR 10 CO 0.01 -0.02 0.66 0.59 -2.21 0.00 0.00 174.62 173.64 3b83 n ASN 11 N -0.83 -1.74 -4.66 8.08 4.13 -1.26 -0.72 115.26 118.26 3b83 n ASN 11 Ca -0.04 -0.90 -0.43 0.00 1.68 0.00 0.00 54.58 54.89 3b83 n ASN 11 Cb 0.67 -3.52 -0.02 0.00 -1.54 0.00 0.00 39.78 35.36 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 -3.67 4.15 0.00 2.41 1.01 -1.26 -4.41 121.20 119.43 3b83 s ILE 12 Ca 0.20 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3b83 s ILE 12 Cb -0.10 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3b83 s ILE 12 CO 0.86 -0.10 0.00 0.35 0.00 0.00 0.00 174.94 176.04 3b83 n THR 13 N 5.27 0.00 -0.12 2.92 -2.24 -0.60 -4.71 114.28 114.79 3b83 n THR 13 Ca 0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 3b83 n THR 13 Cb 0.45 -0.27 0.12 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.82 -1.83 3.22 -0.00 -1.93 -1.93 115.31 113.66 3b83 h LEU 14 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 3b83 h LEU 14 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 3b83 h LEU 14 CO 0.00 0.91 0.00 0.35 -0.00 0.00 0.00 178.44 179.70 3b83 n THR 15 N -4.18 0.42 -4.14 0.22 -2.24 -1.26 -3.12 114.28 99.98 3b83 n THR 15 Ca 0.02 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 3b83 n THR 15 Cb 0.34 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.42 0.09 -0.03 4.28 -4.23 -1.26 -0.94 115.64 113.14 3b83 s THR 16 Ca 0.00 -1.88 -0.28 0.00 -1.18 0.00 0.00 61.69 58.35 3b83 s THR 16 Cb 0.00 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.85 3b83 s THR 16 CO 0.00 -0.43 0.62 0.00 -0.54 0.00 0.00 174.62 174.28 3b83 s ALA 17 N -4.05 -1.62 -0.22 3.99 0.00 -0.68 -1.56 121.76 117.62 3b83 s ALA 17 Ca 0.24 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 3b83 s ALA 17 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3b83 s ALA 17 CO 0.02 -0.39 -0.02 0.08 0.00 0.00 0.00 175.76 175.46 3b83 s VAL 18 N -1.42 3.63 -0.14 0.00 1.01 0.10 0.06 120.40 123.64 3b83 s VAL 18 Ca -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3b83 s VAL 18 Cb -0.01 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3b83 s VAL 18 CO 0.07 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 3b83 s VAL 19 N 1.45 3.69 0.06 2.92 1.01 0.25 0.56 120.40 130.33 3b83 s VAL 19 Ca 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3b83 s VAL 19 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3b83 s VAL 19 CO -0.01 0.52 -0.06 0.42 0.00 0.00 0.00 175.10 175.97 3b83 s THR 20 N 0.19 0.48 0.32 3.92 -4.23 -0.40 -0.72 115.64 115.21 3b83 s THR 20 Ca -0.03 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 3b83 s THR 20 Cb -0.14 -1.13 0.03 0.00 1.34 0.00 0.00 72.50 72.60 3b83 s THR 20 CO 0.03 -0.70 0.71 -1.66 -0.54 0.00 0.00 174.62 172.47 3b83 s TRP 21 N -2.70 0.05 -0.16 3.99 -2.14 -1.02 -0.65 118.94 116.31 3b83 s TRP 21 Ca 0.01 -0.58 -0.01 0.00 2.66 0.00 0.00 56.10 58.18 3b83 s TRP 21 Cb -0.01 0.68 -0.00 0.00 -3.10 0.00 0.00 33.47 31.03 3b83 s TRP 21 CO -0.04 -1.35 -0.13 -0.65 -2.66 0.00 0.00 176.95 172.12 3b83 s GLN 22 N -3.23 3.27 0.86 3.25 -0.21 -0.47 -4.83 119.66 118.30 3b83 s GLN 22 Ca 0.15 -0.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 3b83 s GLN 22 Cb -0.05 -2.69 0.11 0.00 1.00 0.00 0.00 33.01 31.38 3b83 s GLN 22 CO 0.10 0.01 1.10 -1.25 -2.12 0.00 0.00 175.29 173.12 3b83 s PRO 23 N 0.86 1.55 1.10 2.91 0.04 -1.26 -1.40 135.00 138.80 3b83 s PRO 23 Ca -0.04 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 3b83 s PRO 23 Cb -0.15 -1.85 0.25 0.00 0.04 0.00 0.00 34.50 32.78 3b83 s PRO 23 CO -0.00 -2.00 1.05 -2.14 0.04 0.00 0.00 177.00 173.95 3b83 s PRO 24 N -5.05 -0.42 0.18 0.56 0.02 -1.26 -4.79 135.00 124.25 3b83 s PRO 24 Ca 0.62 0.82 -0.03 0.00 0.02 0.00 0.00 61.00 62.44 3b83 s PRO 24 Cb -0.16 -1.61 0.07 0.00 0.02 0.00 0.00 34.50 32.82 3b83 s PRO 24 CO 0.56 -3.38 1.46 0.82 -0.33 0.00 0.00 177.00 176.12 3b83 h ILE 25 N -2.38 1.34 -4.00 2.83 5.03 -1.93 -3.45 117.51 114.96 3b83 h ILE 25 Ca -0.58 -1.96 -0.45 0.00 -0.12 0.00 0.00 64.86 61.75 3b83 h ILE 25 Cb 1.33 1.94 -0.02 0.00 -3.03 0.00 0.00 36.82 37.03 3b83 h ILE 25 CO 0.51 0.60 0.29 -1.48 -0.68 0.00 0.00 178.15 177.40 3b83 s LEU 26 N -8.17 3.96 0.38 1.44 2.34 -1.26 -5.02 118.68 112.35 3b83 s LEU 26 Ca -0.07 1.61 -0.28 0.00 0.06 0.00 0.00 54.13 55.45 3b83 s LEU 26 Cb 0.11 -4.45 -0.11 0.00 -0.56 0.00 0.00 46.19 41.18 3b83 s LEU 26 CO 0.84 -0.33 1.46 -2.84 -1.06 0.00 0.00 176.35 174.42 3b83 s PRO 27 N -3.16 4.08 0.05 1.48 0.02 -1.26 -5.01 135.00 131.21 3b83 s PRO 27 Ca 0.60 2.51 -0.00 0.00 0.02 0.00 0.00 61.00 64.13 3b83 s PRO 27 Cb -0.09 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 3b83 s PRO 27 CO 0.14 -0.53 -0.04 0.96 -0.33 0.00 0.00 177.00 177.20 3b83 s ILE 28 N -1.13 0.26 -0.80 2.83 -4.36 -1.26 -5.01 121.20 111.73 3b83 s ILE 28 Ca 0.53 -1.65 0.23 0.00 -0.26 0.00 0.00 60.65 59.50 3b83 s ILE 28 Cb -0.45 -1.30 -0.08 0.00 1.25 0.00 0.00 42.46 41.87 3b83 s ILE 28 CO 0.61 -0.89 1.15 -0.62 0.24 0.00 0.00 174.94 175.44 3b83 n GLU 29 N 0.38 0.15 -3.65 0.37 1.02 -0.57 -4.61 120.64 113.73 3b83 n GLU 29 Ca -0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.95 3b83 n GLU 29 Cb 0.60 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 3b83 n GLU 29 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3b83 s GLY 30 N -3.34 -0.34 -0.01 0.62 0.00 -0.65 -4.47 107.32 99.13 3b83 s GLY 30 Ca 0.07 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.46 3b83 s GLY 30 CO 0.77 0.17 -0.12 -0.42 0.00 0.00 0.00 173.10 173.50 3b83 s ILE 31 N -2.92 0.97 -0.18 0.90 -1.09 0.11 -0.64 121.20 118.35 3b83 s ILE 31 Ca 0.11 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3b83 s ILE 31 Cb 0.00 -0.82 0.03 0.00 -1.58 0.00 0.00 42.46 40.10 3b83 s ILE 31 CO -0.03 0.28 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.06 3b83 s LEU 32 N -0.19 2.09 -0.24 2.97 1.02 0.45 -0.62 118.68 124.16 3b83 s LEU 32 Ca 0.03 -0.71 -0.07 0.00 0.02 0.00 0.00 54.13 53.40 3b83 s LEU 32 Cb -0.06 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.84 3b83 s LEU 32 CO -0.00 -0.08 0.06 -0.69 0.02 0.00 0.00 176.35 175.66 3b83 s VAL 33 N 1.39 4.26 -0.12 -1.59 1.01 -0.56 -0.87 120.40 123.92 3b83 s VAL 33 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3b83 s VAL 33 Cb -0.14 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 3b83 s VAL 33 CO -0.10 0.35 -0.21 -0.89 0.00 0.00 0.00 175.10 174.25 3b83 s THR 34 N 1.54 2.30 0.04 3.92 2.01 0.53 -1.06 115.64 124.92 3b83 s THR 34 Ca 0.06 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 3b83 s THR 34 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3b83 s THR 34 CO 0.03 0.55 0.04 0.72 -0.69 0.00 0.00 174.62 175.27 3b83 s PHE 35 N 0.47 0.32 0.00 4.92 -0.12 -0.78 0.09 117.98 122.88 3b83 s PHE 35 Ca -0.14 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 3b83 s PHE 35 Cb -0.17 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 41.99 3b83 s PHE 35 CO 0.06 -0.36 0.00 0.41 -0.05 0.00 0.00 175.22 175.28 3b83 n GLY 36 N 0.58 0.66 3.61 1.99 0.00 -1.16 -1.30 105.19 109.58 3b83 n GLY 36 Ca -0.18 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 3b83 n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3b83 n ARG 37 N -0.68 1.47 0.02 1.61 0.63 -1.24 -1.58 116.66 116.89 3b83 n ARG 37 Ca 0.00 0.52 -0.01 0.00 -0.92 0.00 0.00 57.85 57.44 3b83 n ARG 37 Cb 0.00 -2.01 -0.00 0.00 0.45 0.00 0.00 32.46 30.90 3b83 n ARG 37 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3b83 h LYS 38 N 2.94 -0.05 -2.57 -0.14 3.64 -1.50 -3.23 116.57 115.65 3b83 h LYS 38 Ca -0.42 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.51 3b83 h LYS 38 Cb 1.32 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3b83 h LYS 38 CO 0.67 -0.03 1.97 0.09 -2.27 0.00 0.00 179.45 179.87 3b83 n ASN 39 N -2.16 7.14 -3.12 4.20 4.13 -1.26 -4.50 115.26 119.70 3b83 n ASN 39 Ca -0.01 -2.52 0.03 0.00 1.68 0.00 0.00 54.58 53.76 3b83 n ASN 39 Cb 0.02 -1.49 -0.00 0.00 -1.54 0.00 0.00 39.78 36.77 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3b83 s ASP 40 N 2.12 -1.18 0.06 6.41 -1.08 -1.22 -5.08 116.67 116.69 3b83 s ASP 40 Ca 0.68 -0.12 -0.34 0.00 -0.52 0.00 0.00 52.55 52.25 3b83 s ASP 40 Cb 0.24 1.65 -0.18 0.00 -1.46 0.00 0.00 42.92 43.17 3b83 s ASP 40 CO -0.03 -0.19 1.52 -0.65 0.52 0.00 0.00 175.17 176.34 3b83 h PRO 41 N 7.28 -1.10 -0.77 4.34 0.11 -1.82 -3.32 132.00 136.72 3b83 h PRO 41 Ca -0.02 0.07 0.07 0.00 0.11 0.00 0.00 66.00 66.24 3b83 h PRO 41 Cb 1.19 0.25 -0.09 0.00 0.11 0.00 0.00 31.00 32.46 3b83 h PRO 41 CO 0.06 -0.73 -0.46 -1.13 -0.21 0.00 0.00 178.00 175.53 3b83 n SER 42 N -5.36 -0.82 -4.55 -2.05 3.41 -1.26 -4.05 113.62 98.93 3b83 n SER 42 Ca -0.14 1.52 -0.34 0.00 -0.26 0.00 0.00 58.87 59.66 3b83 n SER 42 Cb 0.47 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3b83 n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3b83 s ASP 43 N -5.06 4.42 -0.27 4.04 2.15 -1.25 -4.86 116.67 115.83 3b83 s ASP 43 Ca -0.09 0.91 -0.09 0.00 0.43 0.00 0.00 52.55 53.70 3b83 s ASP 43 Cb 0.08 -2.51 0.12 0.00 -0.30 0.00 0.00 42.92 40.32 3b83 s ASP 43 CO 0.48 -2.97 0.59 -0.70 -0.17 0.00 0.00 175.17 172.40 3b83 s GLU 44 N 8.27 0.52 -0.01 4.34 2.12 -1.26 -3.71 118.70 128.97 3b83 s GLU 44 Ca 0.95 1.35 0.03 0.00 0.36 0.00 0.00 54.97 57.66 3b83 s GLU 44 Cb -0.16 0.73 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 3b83 s GLU 44 CO 0.23 -0.21 -0.07 0.99 -0.54 0.00 0.00 175.26 175.66 3b83 s THR 45 N 2.80 3.64 -0.04 -1.70 2.01 -0.42 -4.97 115.64 116.95 3b83 s THR 45 Ca -0.05 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3b83 s THR 45 Cb -0.12 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.83 3b83 s THR 45 CO -0.17 0.42 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.15 3b83 s THR 46 N -0.97 1.16 -0.04 -0.82 2.01 -1.26 -1.86 115.64 113.87 3b83 s THR 46 Ca 0.16 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.68 3b83 s THR 46 Cb -0.11 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 3b83 s THR 46 CO 0.07 0.35 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.42 3b83 s VAL 47 N 0.25 2.28 -0.19 3.82 1.01 -0.23 -4.98 120.40 122.37 3b83 s VAL 47 Ca -0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 3b83 s VAL 47 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3b83 s VAL 47 CO 0.02 0.58 0.01 -1.81 0.00 0.00 0.00 175.10 173.90 3b83 s ASP 48 N -0.48 5.00 0.13 3.32 1.11 -1.26 -1.50 116.67 122.99 3b83 s ASP 48 Ca 0.06 -0.13 0.03 0.00 0.18 0.00 0.00 52.55 52.69 3b83 s ASP 48 Cb -0.11 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 41.98 3b83 s ASP 48 CO 0.01 0.10 -0.06 -0.76 1.18 0.00 0.00 175.17 175.64 3b83 s LEU 49 N 0.76 2.44 0.49 1.23 1.43 0.21 -4.98 118.68 120.26 3b83 s LEU 49 Ca 0.01 -1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 51.86 3b83 s LEU 49 Cb -0.14 -0.15 -0.08 0.00 0.03 0.00 0.00 46.19 45.84 3b83 s LEU 49 CO 0.02 -0.45 1.03 0.42 0.23 0.00 0.00 176.35 177.61 3b83 s THR 50 N -3.54 3.84 -0.27 5.49 -4.23 -1.26 -0.71 115.64 114.96 3b83 s THR 50 Ca 0.16 1.13 0.20 0.00 -1.18 0.00 0.00 61.69 62.00 3b83 s THR 50 Cb 0.05 -3.46 0.20 0.00 1.34 0.00 0.00 72.50 70.62 3b83 s THR 50 CO -0.01 -0.26 1.61 -1.54 -0.54 0.00 0.00 174.62 173.87 3b83 n SER 51 N -0.99 0.51 0.00 3.99 3.41 -1.26 -1.66 113.62 117.62 3b83 n SER 51 Ca 0.09 0.74 0.10 0.00 -0.26 0.00 0.00 58.87 59.54 3b83 n SER 51 Cb 0.53 -0.81 0.56 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.19 0.00 -4.62 4.04 3.41 -1.26 -4.62 113.62 108.37 3b83 n SER 52 Ca -0.01 -0.28 -0.37 0.00 -0.26 0.00 0.00 58.87 57.95 3b83 n SER 52 Cb 0.03 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.33 5.23 -1.26 -1.33 1.01 -0.66 -4.97 121.20 116.89 3b83 s ILE 53 Ca 0.24 0.14 0.11 0.00 0.00 0.00 0.00 60.65 61.15 3b83 s ILE 53 Cb 0.14 -3.45 0.19 0.00 0.01 0.00 0.00 42.46 39.35 3b83 s ILE 53 CO 0.28 0.32 1.04 0.35 0.00 0.00 0.00 174.94 176.93 3b83 n THR 54 N 4.54 0.42 -3.54 2.92 -2.24 -1.26 -4.96 114.28 110.16 3b83 n THR 54 Ca -0.15 -0.71 -0.17 0.00 -2.27 0.00 0.00 64.05 60.75 3b83 n THR 54 Cb 0.52 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.99 -0.66 -0.00 3.42 0.15 -1.26 -2.42 113.70 111.94 3b83 s SER 55 Ca 0.18 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.63 3b83 s SER 55 Cb 0.11 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 3b83 s SER 55 CO 0.15 -0.56 -0.00 -0.22 1.20 0.00 0.00 173.24 173.81 3b83 s LEU 56 N -1.00 1.95 -0.22 3.45 2.96 0.10 -5.01 118.68 120.92 3b83 s LEU 56 Ca -0.10 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3b83 s LEU 56 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 3b83 s LEU 56 CO 0.09 -0.00 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.22 3b83 s THR 57 N 0.05 3.72 -0.09 3.68 2.01 -1.26 -0.58 115.64 123.17 3b83 s THR 57 Ca -0.00 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 3b83 s THR 57 Cb -0.01 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3b83 s THR 57 CO -0.00 0.40 0.17 -0.76 -0.69 0.00 0.00 174.62 173.74 3b83 s LEU 58 N 1.42 4.39 0.42 4.42 1.43 0.11 -4.96 118.68 125.92 3b83 s LEU 58 Ca 0.05 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3b83 s LEU 58 Cb -0.15 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3b83 s LEU 58 CO -0.00 0.38 0.15 0.42 0.23 0.00 0.00 176.35 177.53 3b83 s THR 59 N -1.08 0.49 -1.35 5.49 -4.23 -1.26 -1.69 115.64 112.02 3b83 s THR 59 Ca 0.18 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 3b83 s THR 59 Cb -0.13 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.42 3b83 s THR 59 CO 0.07 0.00 0.17 -3.20 -0.54 0.00 0.00 174.62 171.12 3b83 n ASN 60 N -1.44 -4.99 -4.90 3.99 2.85 -1.14 -4.95 115.26 104.67 3b83 n ASN 60 Ca -0.06 -0.09 -0.29 0.00 -0.11 0.00 0.00 54.58 54.04 3b83 n ASN 60 Cb 0.64 -4.01 -0.03 0.00 1.24 0.00 0.00 39.78 37.63 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3b83 s LEU 61 N -4.96 3.97 0.06 1.20 1.43 -0.12 -5.06 118.68 115.19 3b83 s LEU 61 Ca 0.09 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 3b83 s LEU 61 Cb -0.04 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 3b83 s LEU 61 CO 0.11 -0.28 0.52 -0.70 0.23 0.00 0.00 176.35 176.22 3b83 s GLU 62 N -3.76 4.10 0.75 1.70 2.12 -1.26 -4.40 118.70 117.95 3b83 s GLU 62 Ca 0.46 0.62 -0.15 0.00 0.36 0.00 0.00 54.97 56.26 3b83 s GLU 62 Cb -0.10 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.12 3b83 s GLU 62 CO 0.32 0.65 1.23 -2.14 -0.54 0.00 0.00 175.26 174.78 3b83 s PRO 63 N -1.15 1.95 -1.10 4.30 0.02 -1.18 -3.65 135.00 134.18 3b83 s PRO 63 Ca 0.28 1.86 -0.22 0.00 0.02 0.00 0.00 61.00 62.93 3b83 s PRO 63 Cb -0.18 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.57 3b83 s PRO 63 CO 0.17 -2.00 0.42 -1.71 -0.33 0.00 0.00 177.00 173.56 3b83 n ASN 64 N -2.82 -2.34 -4.03 2.53 5.15 0.18 -4.93 115.26 108.99 3b83 n ASN 64 Ca 0.14 -1.11 -0.15 0.00 -0.60 0.00 0.00 54.58 52.86 3b83 n ASN 64 Cb 0.50 -1.34 -0.13 0.00 -0.53 0.00 0.00 39.78 38.28 3b83 n ASN 64 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3b83 s THR 65 N -3.87 0.58 -0.25 -0.44 2.01 -1.24 -4.90 115.64 107.54 3b83 s THR 65 Ca 0.31 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 3b83 s THR 65 Cb -0.17 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3b83 s THR 65 CO 0.83 -0.12 0.28 -0.89 -0.69 0.00 0.00 174.62 174.04 3b83 s THR 66 N -0.80 5.25 0.38 -0.82 2.01 -1.26 -0.53 115.64 119.88 3b83 s THR 66 Ca -0.03 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.45 3b83 s THR 66 Cb -0.06 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 3b83 s THR 66 CO 0.00 0.24 0.19 -0.31 -0.69 0.00 0.00 174.62 174.05 3b83 s TYR 67 N 1.62 2.66 -0.04 4.92 1.51 0.27 -1.42 117.35 126.87 3b83 s TYR 67 Ca 0.12 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3b83 s TYR 67 Cb -0.15 -1.85 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3b83 s TYR 67 CO 0.09 0.21 0.04 -2.00 -1.11 0.00 0.00 175.55 172.77 3b83 s GLU 68 N -3.91 0.06 -0.06 -0.62 2.12 -0.61 -1.41 118.70 114.27 3b83 s GLU 68 Ca 0.41 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.99 3b83 s GLU 68 Cb 0.00 -0.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.87 3b83 s GLU 68 CO 0.23 -0.26 -0.04 0.42 -0.54 0.00 0.00 175.26 175.08 3b83 s ILE 69 N 1.69 3.96 -0.06 -3.70 1.01 -0.65 -2.97 121.20 120.47 3b83 s ILE 69 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3b83 s ILE 69 Cb -0.13 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3b83 s ILE 69 CO -0.03 0.56 -0.10 -0.60 0.00 0.00 0.00 174.94 174.77 3b83 s ARG 70 N -0.96 1.51 -0.11 2.79 3.52 0.11 -2.42 118.95 123.39 3b83 s ARG 70 Ca 0.14 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.42 3b83 s ARG 70 Cb -0.11 -1.31 0.01 0.00 -1.56 0.00 0.00 34.95 31.98 3b83 s ARG 70 CO 0.03 -0.02 -0.19 0.42 -0.81 0.00 0.00 175.30 174.74 3b83 s ILE 71 N 0.80 1.73 0.02 4.11 1.01 -0.20 -0.35 121.20 128.31 3b83 s ILE 71 Ca -0.12 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.81 3b83 s ILE 71 Cb -0.15 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3b83 s ILE 71 CO 0.02 0.49 -0.22 -0.69 0.00 0.00 0.00 174.94 174.54 3b83 s VAL 72 N 0.77 1.75 0.09 2.92 1.01 -0.05 -2.09 120.40 124.80 3b83 s VAL 72 Ca -0.10 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 3b83 s VAL 72 Cb -0.16 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3b83 s VAL 72 CO 0.01 0.34 0.45 0.00 0.00 0.00 0.00 175.10 175.90 3b83 s ALA 73 N -0.68 3.68 -0.05 5.51 0.00 -1.26 -0.41 121.76 128.54 3b83 s ALA 73 Ca 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3b83 s ALA 73 Cb -0.09 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.69 3b83 s ALA 73 CO 0.01 0.52 -0.07 0.50 0.00 0.00 0.00 175.76 176.72 3b83 s ARG 74 N -1.82 1.10 -0.27 0.00 3.52 0.19 -1.63 118.95 120.04 3b83 s ARG 74 Ca 0.33 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 3b83 s ARG 74 Cb -0.15 -1.02 0.08 0.00 -1.56 0.00 0.00 34.95 32.31 3b83 s ARG 74 CO 0.18 -0.05 0.05 1.21 -0.81 0.00 0.00 175.30 175.88 3b83 s ASN 75 N 0.86 3.76 1.27 -2.12 2.47 -0.41 -1.52 114.94 119.25 3b83 s ASN 75 Ca -0.12 -1.38 0.00 0.00 0.42 0.00 0.00 52.86 51.78 3b83 s ASN 75 Cb -0.15 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.76 3b83 s ASN 75 CO 0.01 -0.35 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 3b83 n GLY 76 N 4.83 1.71 0.06 1.21 0.00 -1.26 -1.93 105.19 109.82 3b83 n GLY 76 Ca -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 1.31 1.61 -3.29 1.61 1.13 -1.26 -5.00 117.38 113.49 3b83 n GLN 77 Ca 0.00 -1.39 -0.38 0.00 -1.94 0.00 0.00 57.00 53.29 3b83 n GLN 77 Cb 0.00 -0.91 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 3b83 n GLN 77 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3b83 s GLN 78 N -0.98 4.23 -0.02 -1.09 0.74 -0.81 -5.07 119.66 116.66 3b83 s GLN 78 Ca 0.06 0.63 0.06 0.00 0.05 0.00 0.00 55.36 56.16 3b83 s GLN 78 Cb 0.05 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.82 3b83 s GLN 78 CO 0.01 0.44 -0.21 0.71 -0.55 0.00 0.00 175.29 175.69 3b83 s TYR 79 N -0.37 2.50 0.57 1.67 1.51 -1.26 -1.29 117.35 120.68 3b83 s TYR 79 Ca 0.28 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3b83 s TYR 79 Cb -0.18 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.13 3b83 s TYR 79 CO 0.16 0.09 0.88 -1.54 -1.11 0.00 0.00 175.55 174.03 3b83 s SER 80 N -0.79 5.75 0.71 2.29 1.04 -0.64 -4.60 113.70 117.45 3b83 s SER 80 Ca 0.11 0.77 -0.15 0.00 0.48 0.00 0.00 55.95 57.16 3b83 s SER 80 Cb -0.10 -1.84 0.03 0.00 0.10 0.00 0.00 66.02 64.21 3b83 s SER 80 CO 0.00 -0.95 1.19 -2.16 0.98 0.00 0.00 173.24 172.31 3b83 s PRO 81 N -4.94 2.32 0.87 4.02 0.04 -1.26 -4.59 135.00 131.46 3b83 s PRO 81 Ca 0.52 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 3b83 s PRO 81 Cb -0.10 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.69 3b83 s PRO 81 CO 0.45 -1.69 1.14 -1.25 0.04 0.00 0.00 177.00 175.70 3b83 s PRO 82 N -3.87 1.47 -0.06 0.56 0.04 -1.26 -4.65 135.00 127.23 3b83 s PRO 82 Ca 0.74 0.29 0.02 0.00 0.04 0.00 0.00 61.00 62.08 3b83 s PRO 82 Cb -0.28 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.40 3b83 s PRO 82 CO 0.43 -1.97 -0.09 0.54 0.04 0.00 0.00 177.00 175.95 3b83 s VAL 83 N -3.34 0.88 0.28 -0.36 0.11 -0.89 -4.94 120.40 112.15 3b83 s VAL 83 Ca 0.63 -0.33 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 3b83 s VAL 83 Cb -0.14 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3b83 s VAL 83 CO 0.52 0.30 0.29 -1.54 -3.33 0.00 0.00 175.10 171.35 3b83 n SER 84 N 3.88 -0.78 -3.62 3.54 3.41 -1.26 -1.03 113.62 117.76 3b83 n SER 84 Ca -0.24 -2.76 -0.03 0.00 -0.26 0.00 0.00 58.87 55.58 3b83 n SER 84 Cb 0.51 1.65 -0.01 0.00 -0.26 0.00 0.00 64.21 66.09 3b83 n SER 84 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3b83 s THR 85 N -3.01 0.00 0.16 6.66 -1.32 -1.02 -4.95 115.64 112.17 3b83 s THR 85 Ca 0.31 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.64 3b83 s THR 85 Cb 0.01 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 3b83 s THR 85 CO 0.22 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.86 3b83 s THR 86 N -2.80 1.88 0.07 5.08 -4.23 -1.26 -1.63 115.64 112.74 3b83 s THR 86 Ca 0.10 -1.90 -0.21 0.00 -1.18 0.00 0.00 61.69 58.50 3b83 s THR 86 Cb 0.01 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.04 3b83 s THR 86 CO -0.04 -0.27 0.50 0.72 -0.54 0.00 0.00 174.62 174.99 3b83 s PHE 87 N -1.94 -0.39 -0.05 3.99 -0.12 -0.50 -4.99 117.98 113.98 3b83 s PHE 87 Ca 0.16 0.35 0.06 0.00 -0.05 0.00 0.00 56.93 57.45 3b83 s PHE 87 Cb -0.06 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 3b83 s PHE 87 CO 0.07 -0.67 -0.24 0.99 -0.05 0.00 0.00 175.22 175.32 3b83 s THR 88 N -2.80 1.92 0.56 -4.49 2.01 -1.26 0.95 115.64 112.52 3b83 s THR 88 Ca -0.03 -1.00 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 3b83 s THR 88 Cb -0.00 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 3b83 s THR 88 CO -0.05 0.54 1.02 0.42 -0.69 0.00 0.00 174.62 175.86 3b83 s THR 89 N -0.18 4.17 1.06 -0.82 -4.23 0.31 -4.89 115.64 111.07 3b83 s THR 89 Ca -0.02 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 61.40 3b83 s THR 89 Cb -0.13 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.39 3b83 s THR 89 CO 0.03 -0.60 1.07 -0.83 -0.54 0.00 0.00 174.62 173.74 3b83 s GLY 90 N -2.94 1.59 0.43 3.99 0.00 -0.72 -2.56 107.32 107.09 3b83 s GLY 90 Ca 0.61 0.01 0.03 0.00 0.00 0.00 0.00 44.72 45.37 3b83 s GLY 90 CO 0.34 0.63 0.07 -1.35 0.00 0.00 0.00 173.10 172.80 3b83 s SER 91 N -2.76 3.20 -0.13 1.64 1.04 -1.26 0.50 113.70 115.94 3b83 s SER 91 Ca 0.67 -1.61 -0.12 0.00 0.48 0.00 0.00 55.95 55.38 3b83 s SER 91 Cb -0.23 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3b83 s SER 91 CO 0.62 -0.83 0.24 -0.22 0.98 0.00 0.00 173.24 174.03 3b83 s LEU 92 N -3.68 4.31 -0.10 2.42 0.20 -1.26 -4.96 118.68 115.62 3b83 s LEU 92 Ca 0.21 0.51 0.17 0.00 0.69 0.00 0.00 54.13 55.71 3b83 s LEU 92 Cb 0.04 -2.28 -0.24 0.00 -0.43 0.00 0.00 46.19 43.28 3b83 s LEU 92 CO 0.11 0.22 0.39 -0.62 -0.29 0.00 0.00 176.35 176.16 3b83 n GLU 93 N 2.92 0.66 -3.83 1.98 1.02 -1.26 -4.92 120.64 117.22 3b83 n GLU 93 Ca -0.15 0.07 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 3b83 n GLU 93 Cb 0.53 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 3b83 n GLU 93 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3b83 s HIS 94 N -2.72 3.50 0.77 -0.32 3.76 -1.26 -5.11 115.29 113.91 3b83 s HIS 94 Ca -0.07 0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 55.13 3b83 s HIS 94 Cb 0.08 -1.85 0.11 0.00 1.11 0.00 0.00 32.58 32.03 3b83 s HIS 94 CO 0.84 0.53 1.09 -1.58 -0.85 0.00 0.00 174.74 174.77 3b83 s HIS 95 N -1.56 2.26 0.00 1.40 2.46 -1.26 -5.10 115.29 113.49 3b83 s HIS 95 Ca 0.37 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.14 3b83 s HIS 95 Cb -0.13 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 28.94 3b83 s HIS 95 CO 0.26 -1.80 0.00 0.72 -2.47 0.00 0.00 174.74 171.45 3b83 n HIS 96 N -3.12 -2.56 0.00 3.88 8.25 -1.26 -5.10 115.22 115.32 3b83 n HIS 96 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3b83 n HIS 96 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3b83 n HIS 96 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3b83 n HIS 97 N -1.56 0.00 0.00 4.41 8.25 -1.26 -5.30 115.22 119.76 3b83 n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3b83 n HIS 97 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3b83 n HIS 97 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56