#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 2.18 0.36 1.96 -1.52 -1.26 -4.19 119.66 117.19 3b83 s GLN 2 Ca 0.00 0.91 0.01 0.00 -1.95 0.00 0.00 55.36 54.33 3b83 s GLN 2 Cb 0.00 -1.91 0.01 0.00 -0.22 0.00 0.00 33.01 30.89 3b83 s GLN 2 CO 0.00 -1.63 0.10 -0.35 -0.25 0.00 0.00 175.29 173.16 3b83 n PRO 3 N -3.48 1.07 0.00 2.91 -0.04 -1.26 -4.72 135.00 129.48 3b83 n PRO 3 Ca 0.08 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 3b83 n PRO 3 Cb 0.54 0.54 0.00 0.00 -0.04 0.00 0.00 33.50 34.54 3b83 n PRO 3 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3b83 n PRO 4 N -1.05 0.58 -3.78 0.54 -0.02 -1.26 -4.07 135.00 125.93 3b83 n PRO 4 Ca -0.10 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.41 3b83 n PRO 4 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 3b83 n PRO 4 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3b83 s PHE 5 N -0.26 -0.00 -1.76 6.00 -0.12 -0.98 -4.86 117.98 115.99 3b83 s PHE 5 Ca 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3b83 s PHE 5 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 3b83 s PHE 5 CO 0.00 -0.12 0.00 -1.71 -0.05 0.00 0.00 175.22 173.34 3b83 n ASN 6 N -0.75 -5.61 -4.60 1.98 2.85 -1.26 -1.61 115.26 106.26 3b83 n ASN 6 Ca -0.03 0.07 -0.43 0.00 -0.11 0.00 0.00 54.58 54.09 3b83 n ASN 6 Cb 0.61 -4.68 -0.03 0.00 1.24 0.00 0.00 39.78 36.93 3b83 n ASN 6 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3b83 s ILE 7 N -2.94 3.12 0.05 -1.44 1.01 -1.26 -4.52 121.20 115.21 3b83 s ILE 7 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3b83 s ILE 7 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3b83 s ILE 7 CO 0.00 -0.09 -0.02 -0.54 0.00 0.00 0.00 174.94 174.30 3b83 s LYS 8 N 6.06 2.61 -0.06 2.79 1.02 0.21 -4.96 119.74 127.41 3b83 s LYS 8 Ca 0.95 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 56.24 3b83 s LYS 8 Cb -0.31 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3b83 s LYS 8 CO 0.35 0.58 -0.23 0.08 -0.92 0.00 0.00 175.35 175.21 3b83 s VAL 9 N -1.18 1.90 0.32 3.17 1.01 -1.26 -0.28 120.40 124.08 3b83 s VAL 9 Ca 0.22 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3b83 s VAL 9 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3b83 s VAL 9 CO 0.14 0.53 0.28 0.42 0.00 0.00 0.00 175.10 176.47 3b83 s THR 10 N 0.00 0.00 -1.79 3.92 -4.23 0.11 -4.87 115.64 108.80 3b83 s THR 10 Ca -0.07 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 58.27 3b83 s THR 10 Cb -0.14 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.38 3b83 s THR 10 CO 0.04 0.00 0.65 0.59 -0.54 0.00 0.00 174.62 175.36 3b83 n ASN 11 N -1.42 -2.28 -4.70 3.99 4.13 -1.26 -1.30 115.26 112.41 3b83 n ASN 11 Ca 0.07 -1.15 -0.42 0.00 1.68 0.00 0.00 54.58 54.76 3b83 n ASN 11 Cb 0.63 -2.12 -0.03 0.00 -1.54 0.00 0.00 39.78 36.72 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 -3.34 2.97 0.00 2.41 1.01 -1.26 -4.48 121.20 118.52 3b83 s ILE 12 Ca 0.74 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.98 3b83 s ILE 12 Cb -0.42 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3b83 s ILE 12 CO 0.98 0.02 0.00 0.35 0.00 0.00 0.00 174.94 176.30 3b83 n THR 13 N 4.30 0.00 0.11 2.92 -2.24 -0.43 -4.69 114.28 114.25 3b83 n THR 13 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.89 3b83 n THR 13 Cb 0.40 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.13 -0.91 3.22 3.38 -1.93 0.19 115.31 119.39 3b83 h LEU 14 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3b83 h LEU 14 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3b83 h LEU 14 CO 0.00 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.62 3b83 n THR 15 N -3.81 0.13 -4.12 0.22 -2.24 -1.26 -2.88 114.28 100.33 3b83 n THR 15 Ca -0.02 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 3b83 n THR 15 Cb 0.64 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.13 0.49 -0.22 4.28 -4.23 -1.26 -1.79 115.64 112.77 3b83 s THR 16 Ca 0.00 -1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 3b83 s THR 16 Cb 0.00 -1.36 0.06 0.00 1.34 0.00 0.00 72.50 72.54 3b83 s THR 16 CO 0.00 -0.81 0.56 0.00 -0.54 0.00 0.00 174.62 173.84 3b83 s ALA 17 N -3.19 -1.41 -0.25 3.99 0.00 -0.19 -1.32 121.76 119.39 3b83 s ALA 17 Ca 0.05 1.69 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 3b83 s ALA 17 Cb 0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3b83 s ALA 17 CO -0.05 -0.28 0.44 0.08 0.00 0.00 0.00 175.76 175.95 3b83 s VAL 18 N 0.61 5.14 -0.16 0.00 1.01 -0.42 -0.17 120.40 126.41 3b83 s VAL 18 Ca -0.03 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 3b83 s VAL 18 Cb -0.05 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3b83 s VAL 18 CO -0.04 0.16 0.00 -0.69 0.00 0.00 0.00 175.10 174.53 3b83 s VAL 19 N 1.94 4.24 0.06 2.92 1.01 0.24 0.09 120.40 130.91 3b83 s VAL 19 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3b83 s VAL 19 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3b83 s VAL 19 CO 0.09 0.49 -0.11 -0.89 0.00 0.00 0.00 175.10 174.68 3b83 s THR 20 N 0.31 0.85 -0.04 3.92 2.01 0.61 -1.71 115.64 121.59 3b83 s THR 20 Ca -0.01 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 3b83 s THR 20 Cb -0.13 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.56 3b83 s THR 20 CO 0.02 -0.30 0.48 -1.66 -0.69 0.00 0.00 174.62 172.47 3b83 s TRP 21 N -1.33 -0.40 -0.24 4.92 -2.14 -1.02 -0.62 118.94 118.10 3b83 s TRP 21 Ca -0.06 0.68 -0.20 0.00 2.66 0.00 0.00 56.10 59.18 3b83 s TRP 21 Cb -0.10 0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.49 3b83 s TRP 21 CO 0.01 -0.48 0.60 -0.65 -2.66 0.00 0.00 176.95 173.78 3b83 s GLN 22 N -1.22 4.12 0.79 3.25 -1.52 -0.63 -4.81 119.66 119.64 3b83 s GLN 22 Ca -0.12 0.51 -0.15 0.00 -1.95 0.00 0.00 55.36 53.66 3b83 s GLN 22 Cb -0.03 -3.64 0.02 0.00 -0.22 0.00 0.00 33.01 29.14 3b83 s GLN 22 CO 0.07 -0.37 0.77 -2.30 -0.25 0.00 0.00 175.29 173.21 3b83 n PRO 23 N 5.55 0.18 0.00 2.91 -0.02 -1.26 -2.33 135.00 140.02 3b83 n PRO 23 Ca -0.01 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3b83 n PRO 23 Cb 0.49 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.86 0.00 -2.05 0.52 -0.02 -1.26 -4.77 135.00 125.56 3b83 n PRO 24 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 3b83 n PRO 24 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.01 3b83 n PRO 24 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3b83 n ILE 25 N 0.00 0.00 -3.64 4.25 -6.64 -1.26 -5.02 119.36 107.05 3b83 n ILE 25 Ca 0.00 -0.40 -0.08 0.00 -1.77 0.00 0.00 62.75 60.50 3b83 n ILE 25 Cb 0.00 0.63 -0.07 0.00 -1.44 0.00 0.00 39.64 38.76 3b83 n ILE 25 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 3b83 s LEU 26 N -1.43 -0.86 -0.39 7.28 1.43 -1.26 -5.09 118.68 118.36 3b83 s LEU 26 Ca 0.03 1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 54.29 3b83 s LEU 26 Cb 0.11 2.34 -0.07 0.00 0.03 0.00 0.00 46.19 48.60 3b83 s LEU 26 CO -0.03 -0.23 2.33 -2.65 0.23 0.00 0.00 176.35 176.00 3b83 n PRO 27 N 3.91 1.39 -4.32 1.29 -0.02 -1.26 -4.93 135.00 131.06 3b83 n PRO 27 Ca -0.19 0.23 -0.25 0.00 -2.02 0.00 0.00 63.50 61.28 3b83 n PRO 27 Cb 0.58 -3.24 -0.09 0.00 -0.02 0.00 0.00 33.50 30.74 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 10.23 3.19 -0.14 4.25 -4.36 -1.26 -5.03 121.20 128.08 3b83 s ILE 28 Ca 1.01 -1.87 -0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3b83 s ILE 28 Cb -0.32 -2.65 0.10 0.00 1.25 0.00 0.00 42.46 40.85 3b83 s ILE 28 CO 0.32 -0.26 1.92 -0.62 0.24 0.00 0.00 174.94 176.54 3b83 n GLU 29 N -0.44 1.36 0.00 0.37 1.02 -0.96 -4.53 120.64 117.45 3b83 n GLU 29 Ca -0.08 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 3b83 n GLU 29 Cb 0.58 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 0.88 -1.78 3.49 0.62 0.00 -1.25 -4.76 105.19 102.40 3b83 n GLY 30 Ca 0.14 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 3b83 n GLY 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3b83 s ILE 31 N 0.00 0.00 -0.09 -0.61 -4.36 0.23 -2.18 121.20 114.19 3b83 s ILE 31 Ca 0.00 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 3b83 s ILE 31 Cb 0.00 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.43 3b83 s ILE 31 CO 0.00 0.00 -0.18 -0.76 0.24 0.00 0.00 174.94 174.24 3b83 s LEU 32 N -3.06 1.85 -0.15 0.37 1.43 0.15 -0.54 118.68 118.73 3b83 s LEU 32 Ca 0.27 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3b83 s LEU 32 Cb 0.01 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 3b83 s LEU 32 CO 0.10 0.07 -0.09 -0.69 0.23 0.00 0.00 176.35 175.97 3b83 s VAL 33 N 0.66 3.30 -0.03 -1.59 1.01 -0.34 -1.36 120.40 122.05 3b83 s VAL 33 Ca -0.13 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3b83 s VAL 33 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3b83 s VAL 33 CO 0.04 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.54 3b83 s THR 34 N 0.59 1.64 0.02 3.92 2.01 -0.48 -0.76 115.64 122.59 3b83 s THR 34 Ca -0.06 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 3b83 s THR 34 Cb -0.15 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 70.98 3b83 s THR 34 CO 0.03 0.46 0.20 0.72 -0.69 0.00 0.00 174.62 175.34 3b83 s PHE 35 N -0.27 0.01 0.00 4.92 -0.12 -0.18 -1.44 117.98 120.90 3b83 s PHE 35 Ca 0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 3b83 s PHE 35 Cb -0.10 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 3b83 s PHE 35 CO 0.01 -0.38 0.00 0.41 -0.05 0.00 0.00 175.22 175.21 3b83 n GLY 36 N 1.03 0.48 3.69 1.99 0.00 -1.18 -0.72 105.19 110.48 3b83 n GLY 36 Ca -0.21 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.31 2.34 -0.02 1.61 1.74 -1.24 -1.90 116.66 118.88 3b83 n ARG 37 Ca 0.00 0.84 -0.05 0.00 -0.77 0.00 0.00 57.85 57.87 3b83 n ARG 37 Cb 0.00 -2.60 0.17 0.00 -1.02 0.00 0.00 32.46 29.01 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 5.46 0.57 -0.91 5.56 3.64 -1.45 -2.59 116.57 126.84 3b83 h LYS 38 Ca -0.45 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 58.70 3b83 h LYS 38 Cb 1.24 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3b83 h LYS 38 CO 0.85 0.77 0.01 0.09 -2.27 0.00 0.00 179.45 178.90 3b83 n ASN 39 N -4.12 2.12 -3.26 4.20 5.03 -1.26 -4.59 115.26 113.39 3b83 n ASN 39 Ca -0.00 -2.22 -0.05 0.00 0.87 0.00 0.00 54.58 53.18 3b83 n ASN 39 Cb 0.41 -0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 3b83 n ASN 39 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3b83 s ASP 40 N -0.13 -0.30 0.00 6.41 2.15 -0.98 -5.00 116.67 118.83 3b83 s ASP 40 Ca 0.12 -0.44 0.10 0.00 0.43 0.00 0.00 52.55 52.76 3b83 s ASP 40 Cb 0.09 1.39 0.46 0.00 -0.30 0.00 0.00 42.92 44.56 3b83 s ASP 40 CO 0.03 -0.30 1.26 -2.65 -0.17 0.00 0.00 175.17 173.34 3b83 n PRO 41 N 5.11 0.07 0.11 4.34 -0.02 -1.26 -2.48 135.00 140.86 3b83 n PRO 41 Ca 0.04 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.58 3b83 n PRO 41 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 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 0.62 -1.73 2.55 4.64 -1.94 -3.41 113.55 114.27 3b83 h SER 42 Ca 0.00 -0.74 -0.59 0.00 -0.47 0.00 0.00 61.79 59.98 3b83 h SER 42 Cb 0.13 -0.20 -0.11 0.00 -0.31 0.00 0.00 62.40 61.91 3b83 h SER 42 CO 0.00 1.60 1.23 -0.62 -0.87 0.00 0.00 176.83 178.16 3b83 s ASP 43 N -7.31 6.39 -0.06 4.97 3.68 -1.04 -4.96 116.67 118.35 3b83 s ASP 43 Ca -0.09 -1.19 -0.02 0.00 2.13 0.00 0.00 52.55 53.37 3b83 s ASP 43 Cb 0.06 -2.54 0.04 0.00 -1.45 0.00 0.00 42.92 39.03 3b83 s ASP 43 CO 0.90 -1.55 0.11 -1.61 0.13 0.00 0.00 175.17 173.14 3b83 s GLU 44 N 4.88 0.02 -0.10 4.34 0.41 -1.26 -3.60 118.70 123.39 3b83 s GLU 44 Ca 0.40 0.38 0.03 0.00 -0.41 0.00 0.00 54.97 55.37 3b83 s GLU 44 Cb -0.04 -0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.02 3b83 s GLU 44 CO -0.01 -0.23 -0.20 0.99 -0.49 0.00 0.00 175.26 175.32 3b83 s THR 45 N 1.60 2.49 0.07 3.63 2.01 0.11 -4.94 115.64 120.60 3b83 s THR 45 Ca -0.04 -0.88 0.09 0.00 0.31 0.00 0.00 61.69 61.17 3b83 s THR 45 Cb -0.12 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3b83 s THR 45 CO -0.05 0.55 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.30 3b83 s THR 46 N 0.12 2.29 -0.01 -0.82 2.01 -1.26 -1.01 115.64 116.97 3b83 s THR 46 Ca -0.10 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.47 3b83 s THR 46 Cb -0.16 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 3b83 s THR 46 CO 0.06 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 3b83 s VAL 47 N -0.90 0.68 -0.31 3.82 1.01 0.07 -4.97 120.40 119.81 3b83 s VAL 47 Ca 0.13 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 3b83 s VAL 47 Cb -0.10 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3b83 s VAL 47 CO 0.04 0.19 0.08 -0.62 0.00 0.00 0.00 175.10 174.79 3b83 s ASP 48 N -0.21 5.16 0.12 3.32 -1.08 -1.26 -1.20 116.67 121.51 3b83 s ASP 48 Ca 0.03 -0.82 0.11 0.00 -0.52 0.00 0.00 52.55 51.34 3b83 s ASP 48 Cb -0.03 -1.87 -0.04 0.00 -1.46 0.00 0.00 42.92 39.51 3b83 s ASP 48 CO -0.00 -0.23 -0.26 -0.76 0.52 0.00 0.00 175.17 174.44 3b83 s LEU 49 N 1.47 2.30 0.67 -1.34 1.43 0.30 -4.97 118.68 118.54 3b83 s LEU 49 Ca 0.01 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3b83 s LEU 49 Cb -0.18 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3b83 s LEU 49 CO 0.02 0.18 1.05 0.42 0.23 0.00 0.00 176.35 178.25 3b83 s THR 50 N -1.04 4.23 0.40 5.49 -4.23 -1.26 0.77 115.64 119.99 3b83 s THR 50 Ca 0.13 0.73 0.16 0.00 -1.18 0.00 0.00 61.69 61.52 3b83 s THR 50 Cb -0.10 -3.54 0.37 0.00 1.34 0.00 0.00 72.50 70.57 3b83 s THR 50 CO 0.05 -0.95 1.84 0.28 -0.54 0.00 0.00 174.62 175.31 3b83 h SER 51 N -0.60 0.48 -0.10 3.99 0.02 -1.85 -2.49 113.55 113.00 3b83 h SER 51 Ca -0.44 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3b83 h SER 51 Cb 1.20 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3b83 h SER 51 CO 0.58 0.18 0.38 0.77 -1.14 0.00 0.00 176.83 177.60 3b83 h SER 52 N 0.47 0.00 -3.45 3.07 4.64 -1.94 -3.41 113.55 112.93 3b83 h SER 52 Ca 0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.22 3b83 h SER 52 Cb 1.14 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 3b83 h SER 52 CO -0.22 0.00 -0.10 -0.63 -0.87 0.00 0.00 176.83 175.01 3b83 s ILE 53 N -4.22 5.15 -0.48 0.95 1.01 -0.94 -4.95 121.20 117.71 3b83 s ILE 53 Ca -0.03 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.54 3b83 s ILE 53 Cb 0.10 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3b83 s ILE 53 CO 0.34 0.22 0.49 0.35 0.00 0.00 0.00 174.94 176.34 3b83 n THR 54 N 4.36 0.00 -3.67 2.92 -2.24 -1.26 -4.97 114.28 109.43 3b83 n THR 54 Ca -0.06 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 3b83 n THR 54 Cb 0.51 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.78 -0.35 0.02 3.42 0.15 -1.26 -2.45 113.70 112.45 3b83 s SER 55 Ca 0.04 0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 3b83 s SER 55 Cb 0.04 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3b83 s SER 55 CO 0.11 -0.55 0.07 -0.76 1.20 0.00 0.00 173.24 173.31 3b83 s LEU 56 N -1.46 1.84 -0.25 3.45 1.43 -0.69 -5.00 118.68 118.00 3b83 s LEU 56 Ca -0.11 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3b83 s LEU 56 Cb -0.03 0.47 0.02 0.00 0.03 0.00 0.00 46.19 46.68 3b83 s LEU 56 CO 0.04 -0.39 -0.04 -0.89 0.23 0.00 0.00 176.35 175.30 3b83 s THR 57 N -1.76 3.12 -0.04 5.49 2.01 -1.26 -0.59 115.64 122.60 3b83 s THR 57 Ca -0.12 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 3b83 s THR 57 Cb -0.06 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 3b83 s THR 57 CO -0.01 0.25 0.44 -0.76 -0.69 0.00 0.00 174.62 173.85 3b83 s LEU 58 N 1.38 4.40 0.30 4.42 1.43 0.77 -4.94 118.68 126.45 3b83 s LEU 58 Ca 0.02 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3b83 s LEU 58 Cb -0.16 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3b83 s LEU 58 CO -0.04 0.20 0.14 0.42 0.23 0.00 0.00 176.35 177.30 3b83 s THR 59 N -0.40 0.46 -0.94 5.49 -4.23 -1.26 -1.02 115.64 113.73 3b83 s THR 59 Ca 0.25 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 3b83 s THR 59 Cb -0.16 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3b83 s THR 59 CO 0.12 0.00 0.65 0.59 -0.54 0.00 0.00 174.62 175.44 3b83 n ASN 60 N -0.85 -4.80 -4.96 3.99 4.13 -1.13 -4.98 115.26 106.67 3b83 n ASN 60 Ca -0.00 -0.30 -0.22 0.00 1.68 0.00 0.00 54.58 55.74 3b83 n ASN 60 Cb 0.65 -3.48 -0.02 0.00 -1.54 0.00 0.00 39.78 35.39 3b83 n ASN 60 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3b83 s LEU 61 N -4.96 4.30 0.25 3.41 1.43 -0.74 -5.08 118.68 117.28 3b83 s LEU 61 Ca 0.32 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3b83 s LEU 61 Cb -0.14 -2.91 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 3b83 s LEU 61 CO 0.40 -0.07 0.59 -1.61 0.23 0.00 0.00 176.35 175.89 3b83 s GLU 62 N -3.88 3.84 0.79 1.70 2.02 -1.26 -4.39 118.70 117.52 3b83 s GLU 62 Ca 0.35 0.35 -0.12 0.00 0.02 0.00 0.00 54.97 55.56 3b83 s GLU 62 Cb -0.09 -2.60 0.08 0.00 0.10 0.00 0.00 34.13 31.61 3b83 s GLU 62 CO 0.29 0.28 1.15 -2.14 0.02 0.00 0.00 175.26 174.86 3b83 s PRO 63 N -2.88 1.85 -1.19 0.39 0.02 -1.14 -3.81 135.00 128.23 3b83 s PRO 63 Ca 0.49 1.52 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 3b83 s PRO 63 Cb -0.11 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.60 3b83 s PRO 63 CO 0.21 -2.00 0.12 -1.71 -0.33 0.00 0.00 177.00 173.29 3b83 n ASN 64 N -3.38 -0.14 -4.22 2.53 4.05 0.12 -4.93 115.26 109.28 3b83 n ASN 64 Ca 0.12 -1.04 -0.18 0.00 0.45 0.00 0.00 54.58 53.93 3b83 n ASN 64 Cb 0.52 -1.28 -0.11 0.00 1.23 0.00 0.00 39.78 40.13 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 -4.05 1.23 -0.25 -0.44 2.01 -1.25 -4.90 115.64 107.98 3b83 s THR 65 Ca 0.09 -1.61 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 3b83 s THR 65 Cb -0.05 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 3b83 s THR 65 CO 0.81 -0.39 0.16 -0.89 -0.69 0.00 0.00 174.62 173.61 3b83 s THR 66 N -1.98 5.22 0.15 -0.82 2.01 -1.26 -1.22 115.64 117.74 3b83 s THR 66 Ca 0.06 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.28 3b83 s THR 66 Cb -0.06 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3b83 s THR 66 CO 0.02 0.32 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.84 3b83 s TYR 67 N 1.32 2.62 -0.07 4.92 1.51 0.60 -1.20 117.35 127.05 3b83 s TYR 67 Ca 0.07 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.96 3b83 s TYR 67 Cb -0.14 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3b83 s TYR 67 CO 0.07 0.46 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.74 3b83 s GLU 68 N -2.51 2.52 -0.16 -0.62 2.12 -0.80 -1.13 118.70 118.13 3b83 s GLU 68 Ca 0.22 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.74 3b83 s GLU 68 Cb -0.10 -2.06 0.01 0.00 0.26 0.00 0.00 34.13 32.24 3b83 s GLU 68 CO 0.13 0.29 -0.19 0.42 -0.54 0.00 0.00 175.26 175.37 3b83 s ILE 69 N 0.05 2.30 -0.18 -3.70 1.01 0.90 -3.10 121.20 118.49 3b83 s ILE 69 Ca -0.08 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3b83 s ILE 69 Cb -0.15 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.39 3b83 s ILE 69 CO 0.05 0.53 -0.19 -0.13 0.00 0.00 0.00 174.94 175.20 3b83 s ARG 70 N 0.93 3.02 -0.10 2.79 0.52 -0.52 -1.17 118.95 124.42 3b83 s ARG 70 Ca -0.04 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3b83 s ARG 70 Cb -0.15 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 3b83 s ARG 70 CO -0.03 -0.21 -0.12 0.42 0.02 0.00 0.00 175.30 175.37 3b83 s ILE 71 N 1.30 3.17 0.00 1.52 1.01 0.30 -1.38 121.20 127.13 3b83 s ILE 71 Ca 0.05 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3b83 s ILE 71 Cb -0.13 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 3b83 s ILE 71 CO -0.12 0.55 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 3b83 s VAL 72 N -0.12 0.98 -0.16 2.92 1.01 -0.46 -1.10 120.40 123.45 3b83 s VAL 72 Ca -0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 3b83 s VAL 72 Cb -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3b83 s VAL 72 CO 0.03 0.20 0.14 0.00 0.00 0.00 0.00 175.10 175.48 3b83 s ALA 73 N -0.42 3.77 0.28 5.51 0.00 -1.26 0.35 121.76 129.99 3b83 s ALA 73 Ca 0.04 -0.65 0.12 0.00 0.00 0.00 0.00 51.96 51.46 3b83 s ALA 73 Cb -0.05 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 3b83 s ALA 73 CO -0.00 0.36 -0.19 -0.98 0.00 0.00 0.00 175.76 174.95 3b83 s ARG 74 N -0.26 1.68 -0.44 0.00 1.70 -0.93 -1.31 118.95 119.38 3b83 s ARG 74 Ca 0.12 -1.77 0.07 0.00 -0.47 0.00 0.00 55.73 53.67 3b83 s ARG 74 Cb -0.12 -1.74 0.25 0.00 -0.57 0.00 0.00 34.95 32.77 3b83 s ARG 74 CO 0.01 0.31 0.72 0.09 -1.08 0.00 0.00 175.30 175.36 3b83 n ASN 75 N -0.62 -1.49 0.00 -2.89 3.02 -1.04 -2.28 115.26 109.96 3b83 n ASN 75 Ca -0.05 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 3b83 n ASN 75 Cb 0.60 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 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 1.53 1.81 0.00 7.41 0.00 -1.26 -3.03 105.19 111.64 3b83 n GLY 76 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.39 -3.55 1.61 6.02 -1.26 -5.03 117.38 115.56 3b83 n GLN 77 Ca 0.00 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 3b83 n GLN 77 Cb 0.00 -0.37 -0.10 0.00 1.02 0.00 0.00 30.24 30.79 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 -0.07 2.81 -0.10 -1.09 -1.52 -1.17 -5.07 119.66 113.46 3b83 s GLN 78 Ca 0.00 -1.19 -0.07 0.00 -1.95 0.00 0.00 55.36 52.15 3b83 s GLN 78 Cb 0.00 -3.83 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 3b83 s GLN 78 CO 0.00 -0.81 0.16 0.71 -0.25 0.00 0.00 175.29 175.11 3b83 s TYR 79 N 1.56 3.60 0.62 0.91 1.51 -1.26 -2.48 117.35 121.80 3b83 s TYR 79 Ca 0.03 0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 56.57 3b83 s TYR 79 Cb -0.21 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3b83 s TYR 79 CO 0.06 0.72 0.93 -1.54 -1.11 0.00 0.00 175.55 174.62 3b83 s SER 80 N -1.13 5.44 0.44 2.29 1.04 -0.43 -4.98 113.70 116.38 3b83 s SER 80 Ca 0.17 0.68 -0.25 0.00 0.48 0.00 0.00 55.95 57.04 3b83 s SER 80 Cb -0.12 -1.60 -0.08 0.00 0.10 0.00 0.00 66.02 64.32 3b83 s SER 80 CO 0.06 -1.18 1.32 -2.16 0.98 0.00 0.00 173.24 172.27 3b83 s PRO 81 N -5.06 3.75 0.60 4.02 0.04 -1.26 -4.58 135.00 132.53 3b83 s PRO 81 Ca 0.55 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.61 3b83 s PRO 81 Cb -0.11 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 3b83 s PRO 81 CO 0.45 -0.68 1.11 -1.25 0.04 0.00 0.00 177.00 176.67 3b83 s PRO 82 N -2.44 3.09 -0.02 0.56 0.04 -1.26 -4.56 135.00 130.42 3b83 s PRO 82 Ca 0.61 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.12 3b83 s PRO 82 Cb -0.39 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3b83 s PRO 82 CO 0.49 -1.03 -0.12 0.08 0.04 0.00 0.00 177.00 176.46 3b83 s VAL 83 N -2.15 3.21 0.04 -0.36 1.01 -0.26 -4.94 120.40 116.94 3b83 s VAL 83 Ca 0.68 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3b83 s VAL 83 Cb -0.21 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 3b83 s VAL 83 CO 0.35 0.48 0.16 -0.94 0.00 0.00 0.00 175.10 175.15 3b83 s SER 84 N -1.07 0.08 0.10 3.32 1.04 -1.26 -0.54 113.70 115.37 3b83 s SER 84 Ca 0.14 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 3b83 s SER 84 Cb -0.11 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 3b83 s SER 84 CO 0.03 -0.52 0.11 -0.89 0.98 0.00 0.00 173.24 172.95 3b83 s THR 85 N -2.47 0.15 0.03 2.02 2.01 -0.32 -4.98 115.64 112.07 3b83 s THR 85 Ca -0.06 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 60.40 3b83 s THR 85 Cb -0.02 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3b83 s THR 85 CO -0.04 -0.66 -0.05 0.42 -0.69 0.00 0.00 174.62 173.60 3b83 s THR 86 N -3.93 0.29 0.22 -0.82 -4.23 -1.26 -0.07 115.64 105.84 3b83 s THR 86 Ca 0.11 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 3b83 s THR 86 Cb 0.06 -0.39 -0.00 0.00 1.34 0.00 0.00 72.50 73.51 3b83 s THR 86 CO -0.06 -0.38 0.44 0.72 -0.54 0.00 0.00 174.62 174.79 3b83 s PHE 87 N -1.25 0.30 -0.03 3.99 -0.12 -0.28 -4.98 117.98 115.60 3b83 s PHE 87 Ca -0.11 -0.66 0.04 0.00 -0.05 0.00 0.00 56.93 56.15 3b83 s PHE 87 Cb -0.09 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.45 3b83 s PHE 87 CO -0.00 -0.91 -0.14 0.99 -0.05 0.00 0.00 175.22 175.10 3b83 s THR 88 N -3.98 1.20 0.69 -4.49 2.01 -1.26 -0.29 115.64 109.51 3b83 s THR 88 Ca 0.19 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 3b83 s THR 88 Cb 0.00 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.49 3b83 s THR 88 CO 0.05 0.35 1.08 0.42 -0.69 0.00 0.00 174.62 175.83 3b83 s THR 89 N 0.03 3.66 0.99 -0.82 -4.23 -0.36 -4.91 115.64 110.01 3b83 s THR 89 Ca -0.02 0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 3b83 s THR 89 Cb -0.10 -3.21 0.08 0.00 1.34 0.00 0.00 72.50 70.61 3b83 s THR 89 CO 0.01 -0.63 0.48 0.61 -0.54 0.00 0.00 174.62 174.55 3b83 n GLY 90 N -1.34 -1.86 3.64 3.99 0.00 0.65 -3.40 105.19 106.88 3b83 n GLY 90 Ca 0.09 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.10 4.30 0.00 1.61 1.04 -1.26 0.14 113.70 117.43 3b83 s SER 91 Ca 0.59 -0.90 0.23 0.00 0.48 0.00 0.00 55.95 56.35 3b83 s SER 91 Cb -0.20 -0.61 1.40 0.00 0.10 0.00 0.00 66.02 66.72 3b83 s SER 91 CO 0.66 -0.20 1.77 0.18 0.98 0.00 0.00 173.24 176.63