#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 4.67 0.72 1.96 -1.52 -1.26 -4.50 119.66 119.73 3b83 s GLN 2 Ca 0.00 1.61 -0.07 0.00 -1.95 0.00 0.00 55.36 54.96 3b83 s GLN 2 Cb 0.00 -3.30 0.07 0.00 -0.22 0.00 0.00 33.01 29.56 3b83 s GLN 2 CO 0.00 0.19 1.03 -1.25 -0.25 0.00 0.00 175.29 175.01 3b83 s PRO 3 N -0.48 2.08 1.01 2.91 0.04 -1.26 -4.69 135.00 134.62 3b83 s PRO 3 Ca 0.47 -0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.05 3b83 s PRO 3 Cb -0.27 -2.16 0.20 0.00 0.04 0.00 0.00 34.50 32.30 3b83 s PRO 3 CO 0.33 -1.31 1.14 -2.14 0.04 0.00 0.00 177.00 175.06 3b83 s PRO 4 N -5.27 0.29 0.15 0.56 0.02 -1.26 -4.23 135.00 125.26 3b83 s PRO 4 Ca 0.61 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.81 3b83 s PRO 4 Cb -0.10 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.67 3b83 s PRO 4 CO 0.45 -2.75 0.19 1.97 -0.33 0.00 0.00 177.00 176.53 3b83 n PHE 5 N -4.13 -0.74 -3.92 6.54 1.16 -0.85 -4.86 117.46 110.67 3b83 n PHE 5 Ca 0.09 -1.07 -0.31 0.00 -1.87 0.00 0.00 57.45 54.28 3b83 n PHE 5 Cb 0.59 0.21 -0.01 0.00 -1.61 0.00 0.00 39.48 38.66 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 -2.05 -3.65 -4.72 5.98 3.02 -1.26 -1.95 115.26 110.63 3b83 n ASN 6 Ca 0.01 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 3b83 n ASN 6 Cb 0.26 -2.98 -0.03 0.00 -0.61 0.00 0.00 39.78 36.42 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 -4.28 0.44 -4.29 2.41 5.41 -1.26 -4.46 119.36 113.33 3b83 n ILE 7 Ca 0.05 -0.11 -0.20 0.00 1.00 0.00 0.00 62.75 63.49 3b83 n ILE 7 Cb 0.51 -1.92 -0.16 0.00 -0.71 0.00 0.00 39.64 37.36 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 0.43 0.95 -0.29 0.38 1.02 0.17 -4.98 119.74 117.42 3b83 s LYS 8 Ca 0.71 -0.21 -0.07 0.00 0.02 0.00 0.00 55.97 56.41 3b83 s LYS 8 Cb -0.52 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 3b83 s LYS 8 CO 0.40 0.01 0.08 0.08 -0.92 0.00 0.00 175.35 175.00 3b83 s VAL 9 N 0.57 4.06 0.41 3.17 1.01 -1.26 -1.27 120.40 127.09 3b83 s VAL 9 Ca -0.09 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3b83 s VAL 9 Cb -0.12 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 3b83 s VAL 9 CO 0.01 0.13 0.05 -0.89 0.00 0.00 0.00 175.10 174.40 3b83 s THR 10 N 1.53 2.06 -1.28 3.92 2.01 0.20 -4.84 115.64 119.23 3b83 s THR 10 Ca 0.03 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 59.84 3b83 s THR 10 Cb -0.17 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.39 3b83 s THR 10 CO 0.03 0.00 0.55 0.59 -0.69 0.00 0.00 174.62 175.10 3b83 n ASN 11 N -1.04 -3.11 -4.71 3.53 4.13 -1.26 -0.51 115.26 112.28 3b83 n ASN 11 Ca -0.04 -1.28 -0.41 0.00 1.68 0.00 0.00 54.58 54.53 3b83 n ASN 11 Cb 0.66 -1.78 -0.03 0.00 -1.54 0.00 0.00 39.78 37.09 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 -3.70 4.90 0.00 2.41 1.01 -1.26 -4.11 121.20 120.45 3b83 s ILE 12 Ca 0.39 1.92 0.00 0.00 0.00 0.00 0.00 60.65 62.96 3b83 s ILE 12 Cb -0.21 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.00 3b83 s ILE 12 CO 0.97 0.19 0.00 0.35 0.00 0.00 0.00 174.94 176.45 3b83 n THR 13 N 3.83 0.00 0.02 2.92 -2.24 -0.57 -4.78 114.28 113.46 3b83 n THR 13 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.76 3b83 n THR 13 Cb 0.51 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.51 -1.49 3.22 3.38 -1.93 0.07 115.31 119.07 3b83 h LEU 14 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 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 0.89 0.00 0.35 0.09 0.00 0.00 178.44 179.77 3b83 n THR 15 N -4.00 0.26 -4.10 0.22 -2.24 -1.26 -3.35 114.28 99.81 3b83 n THR 15 Ca -0.02 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 3b83 n THR 15 Cb 0.54 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.13 -0.09 4.28 -4.23 -1.26 -0.34 115.64 113.87 3b83 s THR 16 Ca 0.00 -1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 3b83 s THR 16 Cb 0.00 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 72.04 3b83 s THR 16 CO 0.00 -0.57 0.68 0.00 -0.54 0.00 0.00 174.62 174.19 3b83 s ALA 17 N -4.00 -1.76 -0.19 3.99 0.00 -0.65 -1.52 121.76 117.64 3b83 s ALA 17 Ca 0.19 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.51 3b83 s ALA 17 Cb 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3b83 s ALA 17 CO -0.02 -0.36 0.06 0.08 0.00 0.00 0.00 175.76 175.52 3b83 s VAL 18 N -0.91 4.67 -0.18 0.00 1.01 0.33 -0.73 120.40 124.59 3b83 s VAL 18 Ca -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3b83 s VAL 18 Cb -0.01 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3b83 s VAL 18 CO 0.08 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 174.84 3b83 s VAL 19 N 0.60 3.11 0.08 2.92 1.01 0.41 0.60 120.40 129.14 3b83 s VAL 19 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3b83 s VAL 19 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3b83 s VAL 19 CO 0.01 0.48 -0.08 0.42 0.00 0.00 0.00 175.10 175.93 3b83 s THR 20 N 1.03 0.75 0.04 3.92 -4.23 -0.40 -0.53 115.64 116.22 3b83 s THR 20 Ca -0.00 -1.58 -0.20 0.00 -1.18 0.00 0.00 61.69 58.73 3b83 s THR 20 Cb -0.15 -1.25 0.04 0.00 1.34 0.00 0.00 72.50 72.48 3b83 s THR 20 CO -0.01 -0.61 0.47 -1.66 -0.54 0.00 0.00 174.62 172.26 3b83 s TRP 21 N -2.52 -0.34 -0.33 3.99 -2.14 -0.91 -0.66 118.94 116.03 3b83 s TRP 21 Ca 0.03 0.35 -0.16 0.00 2.66 0.00 0.00 56.10 58.99 3b83 s TRP 21 Cb -0.02 0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 30.61 3b83 s TRP 21 CO -0.01 -0.60 0.39 -0.65 -2.66 0.00 0.00 176.95 173.41 3b83 s GLN 22 N -2.43 3.67 0.75 3.25 -1.52 -0.82 -4.84 119.66 117.72 3b83 s GLN 22 Ca -0.05 -0.28 -0.15 0.00 -1.95 0.00 0.00 55.36 52.93 3b83 s GLN 22 Cb -0.01 -3.77 0.03 0.00 -0.22 0.00 0.00 33.01 29.04 3b83 s GLN 22 CO -0.02 -0.49 1.07 -2.30 -0.25 0.00 0.00 175.29 173.30 3b83 n PRO 23 N 5.43 0.43 -0.71 2.91 -0.02 -1.26 -2.00 135.00 139.78 3b83 n PRO 23 Ca -0.08 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 3b83 n PRO 23 Cb 0.50 -2.32 0.16 0.00 -0.02 0.00 0.00 33.50 31.81 3b83 n PRO 23 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3b83 n PRO 24 N -2.36 -1.38 0.04 0.52 -0.02 -1.26 -4.80 135.00 125.75 3b83 n PRO 24 Ca 0.13 -0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.13 3b83 n PRO 24 Cb 0.50 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.35 3b83 n PRO 24 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3b83 h ILE 25 N -1.95 1.36 -2.91 4.25 2.04 -1.87 -3.44 117.51 114.99 3b83 h ILE 25 Ca -0.52 -2.06 -0.64 0.00 1.00 0.00 0.00 64.86 62.64 3b83 h ILE 25 Cb 1.36 2.03 -0.07 0.00 -0.74 0.00 0.00 36.82 39.41 3b83 h ILE 25 CO 0.37 0.62 -0.52 -0.76 0.00 0.00 0.00 178.15 177.86 3b83 s LEU 26 N -8.05 4.21 0.55 1.44 1.02 -1.26 -5.09 118.68 111.51 3b83 s LEU 26 Ca -0.06 0.27 -0.22 0.00 0.02 0.00 0.00 54.13 54.14 3b83 s LEU 26 Cb 0.11 -2.54 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 3b83 s LEU 26 CO 0.84 0.26 1.35 -2.65 0.02 0.00 0.00 176.35 176.17 3b83 n PRO 27 N 0.94 1.67 -3.80 1.29 -0.02 -1.26 -4.92 135.00 128.90 3b83 n PRO 27 Ca -0.11 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 3b83 n PRO 27 Cb 0.52 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 3b83 n PRO 27 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3b83 s ILE 28 N -1.29 -0.04 -1.61 4.25 -4.36 -1.26 -5.03 121.20 111.86 3b83 s ILE 28 Ca 0.72 0.15 0.14 0.00 -0.26 0.00 0.00 60.65 61.40 3b83 s ILE 28 Cb -0.42 -0.08 0.30 0.00 1.25 0.00 0.00 42.46 43.52 3b83 s ILE 28 CO 0.49 0.06 1.35 -0.62 0.24 0.00 0.00 174.94 176.46 3b83 n GLU 29 N 3.84 0.28 0.00 0.37 1.02 -1.00 -4.42 120.64 120.73 3b83 n GLU 29 Ca -0.23 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3b83 n GLU 29 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3b83 n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b83 n GLY 30 N -0.09 1.18 2.91 0.62 0.00 -1.00 -4.60 105.19 104.22 3b83 n GLY 30 Ca 0.08 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 3b83 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b83 s ILE 31 N -2.00 -0.00 -0.17 -0.61 1.01 -0.15 -1.14 121.20 118.14 3b83 s ILE 31 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 3b83 s ILE 31 Cb 0.00 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 3b83 s ILE 31 CO 0.00 0.00 -0.07 -0.76 0.00 0.00 0.00 174.94 174.11 3b83 s LEU 32 N 0.03 2.92 -0.12 2.97 1.43 0.53 0.09 118.68 126.54 3b83 s LEU 32 Ca -0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3b83 s LEU 32 Cb -0.00 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 3b83 s LEU 32 CO 0.00 0.10 -0.19 -0.69 0.23 0.00 0.00 176.35 175.80 3b83 s VAL 33 N 0.74 2.47 0.01 -1.59 1.01 -0.42 -0.85 120.40 121.76 3b83 s VAL 33 Ca -0.03 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3b83 s VAL 33 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3b83 s VAL 33 CO 0.02 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.58 3b83 s THR 34 N 0.44 1.55 0.04 3.92 2.01 0.12 -1.29 115.64 122.43 3b83 s THR 34 Ca -0.14 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 3b83 s THR 34 Cb -0.17 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.05 3b83 s THR 34 CO 0.06 0.31 0.38 0.72 -0.69 0.00 0.00 174.62 175.40 3b83 s PHE 35 N -0.62 -0.22 0.00 4.92 -0.12 -0.57 -0.32 117.98 121.06 3b83 s PHE 35 Ca 0.07 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 3b83 s PHE 35 Cb -0.08 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 3b83 s PHE 35 CO 0.00 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.04 3b83 n GLY 36 N 0.55 0.70 3.67 1.99 0.00 -1.09 -1.50 105.19 109.51 3b83 n GLY 36 Ca -0.19 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.70 2.12 -0.22 1.61 1.74 -1.26 -1.33 116.66 118.63 3b83 n ARG 37 Ca 0.00 0.77 0.01 0.00 -0.77 0.00 0.00 57.85 57.86 3b83 n ARG 37 Cb 0.00 -2.54 0.13 0.00 -1.02 0.00 0.00 32.46 29.03 3b83 n ARG 37 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3b83 h LYS 38 N 6.32 0.43 -3.07 5.56 3.64 -1.57 -3.07 116.57 124.81 3b83 h LYS 38 Ca -0.45 -0.03 -0.78 0.00 -1.27 0.00 0.00 60.65 58.12 3b83 h LYS 38 Cb 1.26 -0.10 -0.20 0.00 -0.41 0.00 0.00 32.23 32.78 3b83 h LYS 38 CO 0.89 0.28 1.57 0.09 -2.27 0.00 0.00 179.45 180.02 3b83 n ASN 39 N -4.98 6.14 0.00 4.20 3.02 -1.26 -4.83 115.26 117.54 3b83 n ASN 39 Ca 0.10 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3b83 n ASN 39 Cb 0.31 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3b83 n ASP 40 N 2.36 0.00 -0.04 6.41 -0.08 -1.16 -5.05 116.55 118.98 3b83 n ASP 40 Ca 0.39 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.60 3b83 n ASP 40 Cb 0.33 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.65 3b83 n ASP 40 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3b83 n PRO 41 N 0.00 0.65 -0.14 -0.67 -0.02 -1.26 -4.29 135.00 129.27 3b83 n PRO 41 Ca 0.00 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 3b83 n PRO 41 Cb 0.00 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3b83 n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3b83 h SER 42 N 0.00 0.65 -2.73 2.55 4.64 -1.96 -3.37 113.55 113.34 3b83 h SER 42 Ca -0.34 -0.28 -0.62 0.00 -0.47 0.00 0.00 61.79 60.08 3b83 h SER 42 Cb 1.98 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 63.76 3b83 h SER 42 CO 0.05 0.77 0.58 -0.62 -0.87 0.00 0.00 176.83 176.74 3b83 s ASP 43 N -6.12 6.20 -0.29 4.97 -1.08 -1.26 -4.93 116.67 114.16 3b83 s ASP 43 Ca -0.13 -0.85 -0.17 0.00 -0.52 0.00 0.00 52.55 50.88 3b83 s ASP 43 Cb 0.10 -2.43 0.13 0.00 -1.46 0.00 0.00 42.92 39.26 3b83 s ASP 43 CO 0.78 -1.43 0.91 -0.70 0.52 0.00 0.00 175.17 175.25 3b83 s GLU 44 N 4.15 0.46 0.04 4.34 2.12 -1.26 -3.99 118.70 124.57 3b83 s GLU 44 Ca 0.24 0.78 0.05 0.00 0.36 0.00 0.00 54.97 56.41 3b83 s GLU 44 Cb -0.16 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 3b83 s GLU 44 CO 0.12 -0.09 -0.15 -0.08 -0.54 0.00 0.00 175.26 174.52 3b83 s THR 45 N 1.34 1.16 0.02 -1.70 -1.32 -0.56 -4.99 115.64 109.59 3b83 s THR 45 Ca -0.09 -1.06 0.04 0.00 -1.21 0.00 0.00 61.69 59.37 3b83 s THR 45 Cb -0.04 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 3b83 s THR 45 CO -0.15 -0.01 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.24 3b83 s THR 46 N -0.91 0.92 0.01 5.08 2.01 -1.26 -1.51 115.64 119.99 3b83 s THR 46 Ca 0.02 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3b83 s THR 46 Cb -0.08 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 3b83 s THR 46 CO 0.01 0.05 -0.12 0.68 -0.69 0.00 0.00 174.62 174.55 3b83 s VAL 47 N -0.66 0.97 -0.20 3.82 -7.23 -0.41 -4.98 120.40 111.70 3b83 s VAL 47 Ca 0.01 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.38 3b83 s VAL 47 Cb -0.06 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.98 3b83 s VAL 47 CO 0.01 0.12 0.10 -0.62 -0.31 0.00 0.00 175.10 174.40 3b83 s ASP 48 N -0.67 5.90 0.29 4.85 2.15 -1.26 -1.30 116.67 126.62 3b83 s ASP 48 Ca 0.03 0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.18 3b83 s ASP 48 Cb -0.06 -2.03 -0.06 0.00 -0.30 0.00 0.00 42.92 40.47 3b83 s ASP 48 CO 0.00 0.15 0.00 -0.76 -0.17 0.00 0.00 175.17 174.40 3b83 s LEU 49 N 0.52 2.30 0.30 -1.34 1.43 0.11 -4.98 118.68 117.02 3b83 s LEU 49 Ca 0.06 -1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 51.62 3b83 s LEU 49 Cb -0.12 -0.46 -0.10 0.00 0.03 0.00 0.00 46.19 45.55 3b83 s LEU 49 CO 0.00 -0.49 0.91 -0.89 0.23 0.00 0.00 176.35 176.11 3b83 s THR 50 N -3.21 4.25 -0.32 5.49 2.01 -1.26 -0.98 115.64 121.61 3b83 s THR 50 Ca 0.32 1.77 0.19 0.00 0.31 0.00 0.00 61.69 64.29 3b83 s THR 50 Cb 0.06 -4.02 0.19 0.00 0.01 0.00 0.00 72.50 68.75 3b83 s THR 50 CO 0.13 0.18 1.59 -1.54 -0.69 0.00 0.00 174.62 174.29 3b83 n SER 51 N 0.67 0.50 0.12 3.53 3.41 -1.26 -1.51 113.62 119.09 3b83 n SER 51 Ca 0.01 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 3b83 n SER 51 Cb 0.50 -0.79 0.47 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.16 0.69 -4.71 4.04 3.41 -1.26 -4.63 113.62 108.99 3b83 n SER 52 Ca -0.01 0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 58.85 3b83 n SER 52 Cb 0.05 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 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 -3.25 5.14 -0.14 -1.33 1.01 -0.57 -4.95 121.20 117.11 3b83 s ILE 53 Ca 0.06 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.81 3b83 s ILE 53 Cb 0.10 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3b83 s ILE 53 CO 0.45 0.28 0.30 0.35 0.00 0.00 0.00 174.94 176.31 3b83 n THR 54 N 3.87 0.00 -3.79 2.92 -2.24 -1.26 -4.93 114.28 108.85 3b83 n THR 54 Ca -0.05 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 3b83 n THR 54 Cb 0.51 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.66 -0.09 -0.13 3.42 0.15 -1.26 -2.14 113.70 112.99 3b83 s SER 55 Ca 0.01 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 3b83 s SER 55 Cb 0.01 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3b83 s SER 55 CO 0.04 -0.53 0.45 -0.22 1.20 0.00 0.00 173.24 174.18 3b83 s LEU 56 N -1.81 0.27 -0.18 3.45 0.20 0.31 -5.00 118.68 115.91 3b83 s LEU 56 Ca -0.08 0.74 -0.03 0.00 0.69 0.00 0.00 54.13 55.45 3b83 s LEU 56 Cb -0.03 1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 47.33 3b83 s LEU 56 CO -0.01 -0.26 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.84 3b83 s THR 57 N -0.21 3.55 -0.07 3.68 2.01 -1.26 -0.44 115.64 122.90 3b83 s THR 57 Ca -0.04 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 3b83 s THR 57 Cb -0.03 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 3b83 s THR 57 CO 0.02 0.47 0.29 -0.76 -0.69 0.00 0.00 174.62 173.96 3b83 s LEU 58 N 0.80 4.40 0.33 4.42 1.43 0.09 -4.97 118.68 125.19 3b83 s LEU 58 Ca -0.02 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 3b83 s LEU 58 Cb -0.15 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 3b83 s LEU 58 CO 0.02 0.31 0.06 -0.89 0.23 0.00 0.00 176.35 176.08 3b83 s THR 59 N -0.77 1.22 -1.58 5.49 2.01 -1.26 -1.63 115.64 119.12 3b83 s THR 59 Ca 0.19 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.19 3b83 s THR 59 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3b83 s THR 59 CO 0.08 0.00 0.00 -3.20 -0.69 0.00 0.00 174.62 170.81 3b83 n ASN 60 N -0.73 -5.07 -4.84 3.53 4.05 -0.88 -4.93 115.26 106.39 3b83 n ASN 60 Ca -0.03 0.11 -0.30 0.00 0.45 0.00 0.00 54.58 54.82 3b83 n ASN 60 Cb 0.67 -4.14 0.08 0.00 1.23 0.00 0.00 39.78 37.62 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3b83 s LEU 61 N -4.66 2.64 0.05 1.20 1.43 0.54 -5.03 118.68 114.85 3b83 s LEU 61 Ca 0.00 1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 54.07 3b83 s LEU 61 Cb 0.00 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3b83 s LEU 61 CO 0.00 -1.79 0.52 -1.61 0.23 0.00 0.00 176.35 173.70 3b83 s GLU 62 N -5.29 4.11 0.69 1.70 0.41 -1.26 -4.55 118.70 114.50 3b83 s GLU 62 Ca 0.60 0.63 -0.17 0.00 -0.41 0.00 0.00 54.97 55.63 3b83 s GLU 62 Cb -0.13 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 29.00 3b83 s GLU 62 CO 0.53 0.65 1.27 -2.14 -0.49 0.00 0.00 175.26 175.07 3b83 s PRO 63 N -1.07 2.33 -1.33 0.39 0.02 -1.21 -3.45 135.00 130.68 3b83 s PRO 63 Ca 0.27 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.20 3b83 s PRO 63 Cb -0.19 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3b83 s PRO 63 CO 0.17 -1.75 0.14 -1.71 -0.33 0.00 0.00 177.00 173.52 3b83 n ASN 64 N -2.26 -0.17 -4.15 2.53 4.05 0.56 -4.92 115.26 110.92 3b83 n ASN 64 Ca 0.15 -1.17 -0.21 0.00 0.45 0.00 0.00 54.58 53.80 3b83 n ASN 64 Cb 0.49 -1.44 -0.14 0.00 1.23 0.00 0.00 39.78 39.92 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 -4.12 1.18 -0.16 -0.44 2.01 -1.22 -4.85 115.64 108.04 3b83 s THR 65 Ca 0.10 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 3b83 s THR 65 Cb -0.06 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3b83 s THR 65 CO 0.90 0.12 0.42 -0.89 -0.69 0.00 0.00 174.62 174.49 3b83 s THR 66 N -0.68 5.21 0.19 -0.82 2.01 -1.26 -1.43 115.64 118.86 3b83 s THR 66 Ca 0.03 0.80 0.11 0.00 0.31 0.00 0.00 61.69 62.95 3b83 s THR 66 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3b83 s THR 66 CO 0.01 0.31 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.70 3b83 s TYR 67 N 0.85 2.33 0.00 4.92 1.51 0.94 -1.57 117.35 126.33 3b83 s TYR 67 Ca 0.22 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 3b83 s TYR 67 Cb -0.15 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3b83 s TYR 67 CO 0.08 0.49 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.78 3b83 s GLU 68 N -2.65 1.79 -0.09 -0.62 2.12 -0.44 -1.11 118.70 117.70 3b83 s GLU 68 Ca 0.21 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.66 3b83 s GLU 68 Cb -0.08 -1.80 0.01 0.00 0.26 0.00 0.00 34.13 32.52 3b83 s GLU 68 CO 0.10 0.48 -0.15 0.42 -0.54 0.00 0.00 175.26 175.58 3b83 s ILE 69 N -0.63 1.39 -0.00 -3.70 1.01 -0.33 -2.66 121.20 116.28 3b83 s ILE 69 Ca 0.09 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.22 3b83 s ILE 69 Cb -0.09 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3b83 s ILE 69 CO 0.00 0.42 -0.24 -0.13 0.00 0.00 0.00 174.94 174.98 3b83 s ARG 70 N 0.80 2.08 -0.02 2.79 0.52 0.57 -2.31 118.95 123.37 3b83 s ARG 70 Ca -0.11 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 3b83 s ARG 70 Cb -0.16 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3b83 s ARG 70 CO 0.02 0.56 -0.05 0.42 0.02 0.00 0.00 175.30 176.26 3b83 s ILE 71 N -0.69 0.49 -0.02 1.52 1.01 -0.70 0.14 121.20 122.95 3b83 s ILE 71 Ca 0.11 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.60 3b83 s ILE 71 Cb -0.10 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.91 3b83 s ILE 71 CO 0.00 0.17 -0.06 -0.69 0.00 0.00 0.00 174.94 174.36 3b83 s VAL 72 N 0.37 0.56 0.24 2.92 1.01 -0.03 -1.75 120.40 123.72 3b83 s VAL 72 Ca -0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3b83 s VAL 72 Cb -0.08 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 3b83 s VAL 72 CO -0.00 0.18 0.53 0.00 0.00 0.00 0.00 175.10 175.81 3b83 s ALA 73 N 0.16 3.61 0.08 5.51 0.00 -1.26 -0.35 121.76 129.52 3b83 s ALA 73 Ca -0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3b83 s ALA 73 Cb -0.06 -2.36 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 3b83 s ALA 73 CO -0.00 0.45 0.19 -0.98 0.00 0.00 0.00 175.76 175.42 3b83 s ARG 74 N -3.01 0.83 -0.38 0.00 1.70 -0.29 -1.96 118.95 115.84 3b83 s ARG 74 Ca 0.46 -0.94 0.13 0.00 -0.47 0.00 0.00 55.73 54.91 3b83 s ARG 74 Cb -0.11 0.34 0.40 0.00 -0.57 0.00 0.00 34.95 35.01 3b83 s ARG 74 CO 0.24 -0.26 0.88 0.09 -1.08 0.00 0.00 175.30 175.17 3b83 n ASN 75 N -0.01 1.81 0.00 -2.89 3.02 -0.39 -2.36 115.26 114.44 3b83 n ASN 75 Ca -0.15 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3b83 n ASN 75 Cb 0.62 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3b83 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b83 n GLY 76 N 0.02 1.52 0.08 7.41 0.00 -1.26 -3.74 105.19 109.21 3b83 n GLY 76 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 1.25 -3.58 1.61 3.00 -1.26 -4.98 117.38 113.42 3b83 n GLN 77 Ca 0.00 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 3b83 n GLN 77 Cb 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 30.24 28.79 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 -2.37 4.02 0.43 -1.09 -1.52 -1.25 -5.08 119.66 112.80 3b83 s GLN 78 Ca -0.13 0.15 0.06 0.00 -1.95 0.00 0.00 55.36 53.49 3b83 s GLN 78 Cb 0.05 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.45 3b83 s GLN 78 CO 0.56 0.46 0.03 0.71 -0.25 0.00 0.00 175.29 176.80 3b83 s TYR 79 N -0.23 2.40 0.29 0.91 1.51 -1.26 -1.26 117.35 119.71 3b83 s TYR 79 Ca 0.18 -0.72 0.11 0.00 -1.01 0.00 0.00 57.07 55.63 3b83 s TYR 79 Cb -0.14 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 3b83 s TYR 79 CO 0.07 0.37 -0.10 -1.54 -1.11 0.00 0.00 175.55 173.24 3b83 s SER 80 N -3.77 3.99 0.90 2.29 1.04 -0.83 -4.77 113.70 112.56 3b83 s SER 80 Ca 0.30 -0.90 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 3b83 s SER 80 Cb 0.08 -0.51 0.14 0.00 0.10 0.00 0.00 66.02 65.82 3b83 s SER 80 CO 0.16 -0.02 1.13 -2.16 0.98 0.00 0.00 173.24 173.33 3b83 s PRO 81 N -3.59 1.11 0.78 4.02 0.04 -1.26 -4.57 135.00 131.53 3b83 s PRO 81 Ca 0.31 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 3b83 s PRO 81 Cb -0.05 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.81 3b83 s PRO 81 CO 0.17 -2.53 1.12 -1.25 0.04 0.00 0.00 177.00 174.55 3b83 s PRO 82 N -4.69 2.20 -0.06 0.56 0.04 -1.26 -4.72 135.00 127.07 3b83 s PRO 82 Ca 0.66 0.44 0.03 0.00 0.04 0.00 0.00 61.00 62.17 3b83 s PRO 82 Cb -0.22 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3b83 s PRO 82 CO 0.58 -1.49 -0.16 0.08 0.04 0.00 0.00 177.00 176.05 3b83 s VAL 83 N -3.31 1.40 0.15 -0.36 1.01 -0.72 -4.96 120.40 113.61 3b83 s VAL 83 Ca 0.60 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3b83 s VAL 83 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3b83 s VAL 83 CO 0.52 0.41 -0.13 -0.55 0.00 0.00 0.00 175.10 175.35 3b83 s SER 84 N 0.40 2.10 0.07 3.32 0.15 -1.26 -1.72 113.70 116.75 3b83 s SER 84 Ca -0.12 -0.91 -0.21 0.00 0.70 0.00 0.00 55.95 55.40 3b83 s SER 84 Cb -0.15 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.14 3b83 s SER 84 CO 0.04 -0.20 0.51 0.28 1.20 0.00 0.00 173.24 175.07 3b83 s THR 85 N -2.64 0.03 0.06 6.45 -1.32 -0.98 -4.95 115.64 112.30 3b83 s THR 85 Ca 0.14 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 3b83 s THR 85 Cb -0.02 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 3b83 s THR 85 CO 0.03 -0.15 -0.09 0.42 -2.21 0.00 0.00 174.62 172.62 3b83 s THR 86 N -2.72 0.71 0.22 5.08 -4.23 -1.26 -1.18 115.64 112.25 3b83 s THR 86 Ca -0.04 -1.32 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 3b83 s THR 86 Cb -0.00 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.89 3b83 s THR 86 CO -0.04 -0.45 0.44 0.72 -0.54 0.00 0.00 174.62 174.75 3b83 s PHE 87 N -1.84 0.32 -0.01 3.99 -0.12 -0.27 -4.98 117.98 115.07 3b83 s PHE 87 Ca -0.03 -0.68 0.04 0.00 -0.05 0.00 0.00 56.93 56.21 3b83 s PHE 87 Cb -0.07 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3b83 s PHE 87 CO -0.00 -0.93 -0.15 0.99 -0.05 0.00 0.00 175.22 175.09 3b83 s THR 88 N -3.99 1.16 0.52 -4.49 2.01 -1.26 -0.04 115.64 109.54 3b83 s THR 88 Ca 0.20 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3b83 s THR 88 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3b83 s THR 88 CO 0.06 0.33 0.88 0.42 -0.69 0.00 0.00 174.62 175.62 3b83 s THR 89 N -0.29 4.79 1.10 -0.82 -4.23 -0.51 -4.89 115.64 110.78 3b83 s THR 89 Ca 0.05 0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 61.00 3b83 s THR 89 Cb -0.06 -3.83 0.18 0.00 1.34 0.00 0.00 72.50 70.13 3b83 s THR 89 CO -0.00 -0.88 0.64 0.61 -0.54 0.00 0.00 174.62 174.45 3b83 n GLY 90 N -2.19 -1.95 1.38 3.99 0.00 0.01 -2.63 105.19 103.80 3b83 n GLY 90 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3b83 n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b83 n SER 91 N -3.37 0.12 0.00 1.61 3.41 -1.26 0.21 113.62 114.34 3b83 n SER 91 Ca 0.04 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3b83 n SER 91 Cb 0.56 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3b83 n SER 91 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06