#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvb s GLN 2 N 0.00 2.54 -0.27 -0.52 0.74 -1.26 -5.09 119.66 115.80 3bvb s GLN 2 Ca 0.00 -1.20 -0.08 0.00 0.05 0.00 0.00 55.36 54.13 3bvb s GLN 2 Cb 0.00 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 3bvb s GLN 2 CO 0.00 -0.61 0.09 0.42 -0.55 0.00 0.00 175.29 174.64 3bvb s ILE 3 N 1.31 4.37 0.85 -2.34 1.01 -1.26 -5.09 121.20 120.04 3bvb s ILE 3 Ca -0.04 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 3bvb s ILE 3 Cb -0.19 -3.09 0.11 0.00 0.01 0.00 0.00 42.46 39.30 3bvb s ILE 3 CO -0.00 0.27 1.21 0.42 0.00 0.00 0.00 174.94 176.84 3bvb s THR 4 N 1.61 2.01 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.54 3bvb s THR 4 Ca 0.06 -0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3bvb s THR 4 Cb -0.16 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 70.97 3bvb s THR 4 CO 0.04 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.45 3bvb n LEU 5 N -3.43 2.36 0.15 4.79 4.77 -1.26 -4.62 117.00 119.76 3bvb n LEU 5 Ca 0.10 -3.03 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 3bvb n LEU 5 Cb 0.61 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 3bvb n LEU 5 CO 0.54 0.70 0.70 -0.50 -1.33 0.00 0.00 177.39 177.50 3bvb h TRP 6 N 0.03 0.10 -1.92 -1.77 4.06 -2.06 -3.43 115.95 110.96 3bvb h TRP 6 Ca 0.00 -0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.35 3bvb h TRP 6 Cb 0.98 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 29.01 3bvb h TRP 6 CO 0.01 0.45 -0.61 0.15 -3.56 0.00 0.00 178.44 174.88 3bvb s LYS 7 N -4.20 2.10 0.27 0.49 1.02 -1.26 -5.10 119.74 113.06 3bvb s LYS 7 Ca -0.03 -1.73 -0.31 0.00 0.02 0.00 0.00 55.97 53.92 3bvb s LYS 7 Cb 0.14 -1.95 -0.12 0.00 -0.52 0.00 0.00 37.83 35.38 3bvb s LYS 7 CO 0.74 0.13 1.56 0.54 -0.92 0.00 0.00 175.35 177.40 3bvb n ARG 8 N -0.97 2.52 -2.35 1.68 1.74 -1.26 -4.86 116.66 113.16 3bvb n ARG 8 Ca -0.04 0.90 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 3bvb n ARG 8 Cb 0.62 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 3bvb n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3bvb n PRO 9 N 2.29 3.15 -3.35 5.56 -0.04 -1.26 -4.93 135.00 136.42 3bvb n PRO 9 Ca 0.10 -3.17 -0.38 0.00 -0.04 0.00 0.00 63.50 60.01 3bvb n PRO 9 Cb 0.35 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 3bvb n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bvb s LEU 10 N 2.90 4.38 0.19 1.53 1.43 -1.26 -1.06 118.68 126.80 3bvb s LEU 10 Ca 0.49 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 3bvb s LEU 10 Cb 0.07 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3bvb s LEU 10 CO 0.01 0.14 -0.01 0.68 0.23 0.00 0.00 176.35 177.41 3bvb s VAL 11 N -0.19 0.84 0.02 -1.59 -7.23 0.02 -4.97 120.40 107.30 3bvb s VAL 11 Ca 0.26 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.22 3bvb s VAL 11 Cb -0.17 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 3bvb s VAL 11 CO 0.13 -0.44 0.61 -0.89 -0.31 0.00 0.00 175.10 174.20 3bvb s THR 12 N -3.55 4.85 0.28 5.32 2.01 -1.26 -1.04 115.64 122.26 3bvb s THR 12 Ca 0.25 1.28 0.11 0.00 0.31 0.00 0.00 61.69 63.64 3bvb s THR 12 Cb 0.06 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 3bvb s THR 12 CO 0.05 0.44 -0.12 0.27 -0.69 0.00 0.00 174.62 174.57 3bvb s ILE 13 N -0.39 2.74 -0.07 1.82 -4.36 0.67 -1.14 121.20 120.47 3bvb s ILE 13 Ca 0.31 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 3bvb s ILE 13 Cb -0.19 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.04 3bvb s ILE 13 CO 0.18 -0.37 -0.07 -0.75 0.24 0.00 0.00 174.94 174.18 3bvb s LYS 14 N -3.58 1.20 -0.07 0.37 2.20 0.21 -0.99 119.74 119.08 3bvb s LYS 14 Ca 0.31 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.68 3bvb s LYS 14 Cb -0.05 -1.17 0.04 0.00 -1.51 0.00 0.00 37.83 35.14 3bvb s LYS 14 CO 0.17 -0.11 0.17 -1.50 -0.36 0.00 0.00 175.35 173.72 3bvb s ILE 15 N 1.11 -0.04 -1.45 5.43 2.07 -0.28 -1.02 121.20 127.03 3bvb s ILE 15 Ca -0.07 0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 3bvb s ILE 15 Cb -0.14 -0.27 0.09 0.00 0.13 0.00 0.00 42.46 42.27 3bvb s ILE 15 CO -0.01 0.06 0.68 0.61 -1.91 0.00 0.00 174.94 174.36 3bvb n GLY 16 N 3.99 -0.48 2.35 1.50 0.00 -1.26 -1.62 105.19 109.67 3bvb n GLY 16 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3bvb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvb n GLY 17 N -1.35 1.02 3.51 -0.02 0.00 -1.26 -5.01 105.19 102.08 3bvb n GLY 17 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3bvb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bvb s GLN 18 N -0.22 3.22 0.12 1.61 -0.21 -0.64 -5.10 119.66 118.44 3bvb s GLN 18 Ca 0.00 -0.56 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 3bvb s GLN 18 Cb 0.00 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 31.22 3bvb s GLN 18 CO 0.00 0.42 0.74 -0.51 -2.12 0.00 0.00 175.29 173.82 3bvb s LEU 19 N -0.15 4.55 0.11 2.90 1.43 -1.26 -1.13 118.68 125.13 3bvb s LEU 19 Ca 0.02 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3bvb s LEU 19 Cb -0.13 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3bvb s LEU 19 CO 0.03 0.18 0.06 -0.54 0.23 0.00 0.00 176.35 176.31 3bvb s LYS 20 N -0.92 0.86 -0.01 1.70 1.02 -0.16 -4.98 119.74 117.25 3bvb s LYS 20 Ca 0.35 -1.34 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 3bvb s LYS 20 Cb -0.22 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.30 3bvb s LYS 20 CO 0.24 -0.23 0.20 -2.00 -0.92 0.00 0.00 175.35 172.64 3bvb s GLU 21 N -4.00 3.47 0.07 1.68 2.12 -1.26 -0.24 118.70 120.54 3bvb s GLU 21 Ca 0.18 -0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.12 3bvb s GLU 21 Cb 0.07 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.38 3bvb s GLU 21 CO -0.02 0.67 0.27 0.00 -0.54 0.00 0.00 175.26 175.64 3bvb s ALA 22 N -1.31 -0.55 -0.20 6.30 0.00 -0.20 -4.42 121.76 121.37 3bvb s ALA 22 Ca 0.27 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 3bvb s ALA 22 Cb -0.13 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3bvb s ALA 22 CO 0.18 -0.49 0.19 -1.17 0.00 0.00 0.00 175.76 174.47 3bvb s LEU 23 N -2.48 4.19 -0.29 0.00 2.96 0.11 -0.80 118.68 122.36 3bvb s LEU 23 Ca -0.00 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.90 3bvb s LEU 23 Cb 0.02 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.52 3bvb s LEU 23 CO -0.08 0.11 1.26 -0.76 -1.32 0.00 0.00 176.35 175.57 3bvb s LEU 24 N 0.63 3.91 -0.36 -0.68 1.43 -0.22 -0.75 118.68 122.64 3bvb s LEU 24 Ca 0.11 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3bvb s LEU 24 Cb -0.12 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.66 3bvb s LEU 24 CO 0.02 -1.02 0.11 0.21 0.23 0.00 0.00 176.35 175.90 3bvb s ASN 25 N 2.53 4.31 0.36 2.29 3.04 -0.05 -4.80 114.94 122.62 3bvb s ASN 25 Ca 0.54 -2.13 0.27 0.00 0.04 0.00 0.00 52.86 51.59 3bvb s ASN 25 Cb -0.16 -1.28 1.08 0.00 -1.54 0.00 0.00 41.25 39.36 3bvb s ASN 25 CO 0.21 -0.36 1.81 0.71 -3.04 0.00 0.00 177.10 176.42 3bvb h THR 26 N 6.26 0.00 -0.00 -5.21 1.35 -1.94 -2.45 112.91 110.92 3bvb h THR 26 Ca -0.07 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3bvb h THR 26 Cb 0.99 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3bvb h THR 26 CO 0.51 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.39 3bvb n GLY 27 N 0.12 -0.81 3.40 5.82 0.00 -1.26 -4.81 105.19 107.66 3bvb n GLY 27 Ca 0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3bvb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bvb s ALA 28 N -2.06 2.87 0.24 4.61 0.00 -0.92 -4.99 121.76 121.51 3bvb s ALA 28 Ca 0.44 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3bvb s ALA 28 Cb 0.22 -1.59 0.26 0.00 0.00 0.00 0.00 23.12 22.01 3bvb s ALA 28 CO 0.37 -0.07 1.66 -0.44 0.00 0.00 0.00 175.76 177.29 3bvb h ASP 29 N 7.34 0.68 -3.22 0.00 3.32 -1.87 0.87 116.42 123.54 3bvb h ASP 29 Ca -0.34 -0.24 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 3bvb h ASP 29 Cb 1.18 -0.19 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 3bvb h ASP 29 CO 0.60 0.90 -0.80 -1.81 -1.72 0.00 0.00 179.24 176.41 3bvb s ASP 30 N -6.77 3.13 -0.08 6.45 -0.00 -1.26 -2.29 116.67 115.85 3bvb s ASP 30 Ca -0.08 -0.89 -0.21 0.00 -0.00 0.00 0.00 52.55 51.37 3bvb s ASP 30 Cb 0.13 -0.22 -0.04 0.00 -0.00 0.00 0.00 42.92 42.80 3bvb s ASP 30 CO 0.82 0.04 0.61 -0.89 -0.00 0.00 0.00 175.17 175.75 3bvb s THR 31 N -1.95 5.09 -0.07 -1.27 2.01 -1.26 -3.45 115.64 114.74 3bvb s THR 31 Ca 0.20 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.45 3bvb s THR 31 Cb -0.07 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3bvb s THR 31 CO 0.09 0.29 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 3bvb s VAL 32 N 0.66 0.68 0.12 3.82 1.01 -0.41 -1.01 120.40 125.28 3bvb s VAL 32 Ca 0.33 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.27 3bvb s VAL 32 Cb -0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3bvb s VAL 32 CO 0.15 0.28 -0.25 -0.63 0.00 0.00 0.00 175.10 174.65 3bvb s ILE 33 N 1.33 2.08 0.82 2.22 -1.09 0.34 -0.33 121.20 126.57 3bvb s ILE 33 Ca -0.04 -1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 56.56 3bvb s ILE 33 Cb -0.14 -1.86 0.09 0.00 -1.58 0.00 0.00 42.46 38.97 3bvb s ILE 33 CO -0.03 0.04 1.16 -1.61 -1.23 0.00 0.00 174.94 173.28 3bvb s GLU 34 N -2.02 1.66 -0.18 2.79 2.02 -1.26 -1.60 118.70 120.10 3bvb s GLU 34 Ca 0.12 1.59 -0.42 0.00 0.02 0.00 0.00 54.97 56.28 3bvb s GLU 34 Cb -0.10 -1.80 -0.19 0.00 0.10 0.00 0.00 34.13 32.15 3bvb s GLU 34 CO 0.05 -2.16 1.37 -1.91 0.02 0.00 0.00 175.26 172.63 3bvb n GLU 35 N -3.50 0.31 -3.70 1.61 4.07 -1.26 -4.71 120.64 113.46 3bvb n GLU 35 Ca 0.12 0.11 -0.07 0.00 -0.06 0.00 0.00 57.16 57.27 3bvb n GLU 35 Cb 0.51 -1.66 -0.02 0.00 -0.06 0.00 0.00 31.44 30.22 3bvb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3bvb s MET 36 N 1.49 1.39 -0.05 5.31 0.23 -1.26 -5.07 119.30 121.33 3bvb s MET 36 Ca 0.96 -0.70 -0.19 0.00 -1.03 0.00 0.00 55.69 54.72 3bvb s MET 36 Cb -1.27 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 32.49 3bvb s MET 36 CO 0.65 -0.63 0.52 0.45 -2.03 0.00 0.00 175.02 173.97 3bvb s SER 37 N -2.84 6.82 0.06 -1.18 0.15 -1.26 -5.07 113.70 110.38 3bvb s SER 37 Ca 0.09 0.98 0.04 0.00 0.70 0.00 0.00 55.95 57.76 3bvb s SER 37 Cb -0.03 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 3bvb s SER 37 CO -0.00 0.09 -0.13 -0.76 1.20 0.00 0.00 173.24 173.64 3bvb s LEU 38 N 0.03 2.25 0.60 3.45 1.43 -1.26 -4.96 118.68 120.22 3bvb s LEU 38 Ca 0.28 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3bvb s LEU 38 Cb -0.17 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3bvb s LEU 38 CO 0.14 -0.08 1.02 -2.16 0.23 0.00 0.00 176.35 175.50 3bvb s PRO 39 N -1.57 3.62 0.74 1.29 0.04 -1.26 -4.94 135.00 132.92 3bvb s PRO 39 Ca -0.03 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3bvb s PRO 39 Cb -0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3bvb s PRO 39 CO 0.02 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.92 3bvb n GLY 40 N -2.41 -1.98 3.87 0.56 0.00 -1.26 -4.93 105.19 99.04 3bvb n GLY 40 Ca 0.06 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 3bvb n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bvb s ARG 41 N 0.00 3.80 0.29 1.61 0.52 -1.26 -5.09 118.95 118.81 3bvb s ARG 41 Ca 0.00 0.54 0.11 0.00 -0.52 0.00 0.00 55.73 55.86 3bvb s ARG 41 Cb 0.00 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 3bvb s ARG 41 CO 0.00 -0.08 -0.17 1.67 0.02 0.00 0.00 175.30 176.74 3bvb s TRP 42 N -2.42 2.25 0.17 -0.53 1.48 -1.26 -4.61 118.94 114.02 3bvb s TRP 42 Ca 0.52 -0.40 0.09 0.00 -1.06 0.00 0.00 56.10 55.25 3bvb s TRP 42 Cb -0.10 -1.05 -0.04 0.00 -1.16 0.00 0.00 33.47 31.11 3bvb s TRP 42 CO 0.32 0.65 -0.18 0.15 -4.06 0.00 0.00 176.95 173.82 3bvb s LYS 43 N -3.55 1.30 0.42 3.25 1.02 -0.47 -4.91 119.74 116.80 3bvb s LYS 43 Ca 0.30 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.64 3bvb s LYS 43 Cb -0.03 -1.33 -0.11 0.00 -0.52 0.00 0.00 37.83 35.84 3bvb s LYS 43 CO 0.14 0.26 0.93 -1.25 -0.92 0.00 0.00 175.35 174.51 3bvb s PRO 44 N -2.91 4.21 -0.12 -1.68 0.04 -1.26 -0.73 135.00 132.55 3bvb s PRO 44 Ca 0.17 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 3bvb s PRO 44 Cb -0.05 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3bvb s PRO 44 CO 0.07 -0.01 0.39 0.21 0.04 0.00 0.00 177.00 177.70 3bvb s LYS 45 N -3.15 0.53 -0.16 4.56 2.20 -1.13 -4.84 119.74 117.76 3bvb s LYS 45 Ca 0.61 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 56.56 3bvb s LYS 45 Cb -0.09 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 3bvb s LYS 45 CO 0.14 -0.09 0.01 -1.64 -0.36 0.00 0.00 175.35 173.40 3bvb s MET 46 N -0.16 3.70 0.04 4.03 -1.94 -1.26 -0.93 119.30 122.78 3bvb s MET 46 Ca -0.03 -0.44 0.06 0.00 -1.71 0.00 0.00 55.69 53.57 3bvb s MET 46 Cb -0.03 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 3bvb s MET 46 CO 0.02 0.32 -0.17 0.96 -0.01 0.00 0.00 175.02 176.13 3bvb s ILE 47 N 0.19 1.36 -0.19 2.53 -4.36 -0.44 -4.96 121.20 115.32 3bvb s ILE 47 Ca 0.01 -1.10 -0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3bvb s ILE 47 Cb -0.13 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3bvb s ILE 47 CO 0.02 0.09 -0.04 -0.83 0.24 0.00 0.00 174.94 174.42 3bvb s GLY 48 N -1.18 1.66 0.00 6.27 0.00 -1.26 -1.35 107.32 111.46 3bvb s GLY 48 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3bvb s GLY 48 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.95 3bvb n GLY 49 N 4.28 7.26 0.27 0.20 0.00 -0.52 -4.97 105.19 111.72 3bvb n GLY 49 Ca -0.18 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.82 3bvb n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3bvb h ILE 50 N 0.15 1.13 -0.02 -0.61 2.10 -2.02 -2.81 117.51 115.42 3bvb h ILE 50 Ca 0.00 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3bvb h ILE 50 Cb 0.00 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 3bvb h ILE 50 CO 0.00 0.17 -0.15 0.61 -1.08 0.00 0.00 178.15 177.70 3bvb n GLY 51 N -1.15 0.64 0.00 8.18 0.00 -1.26 -5.07 105.19 106.54 3bvb n GLY 51 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3bvb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bvb n GLY 52 N 1.37 0.94 3.87 -0.02 0.00 -1.06 -5.10 105.19 105.18 3bvb n GLY 52 Ca 0.13 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3bvb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bvb s PHE 53 N -1.34 3.51 0.08 1.61 0.40 -1.26 -1.44 117.98 119.54 3bvb s PHE 53 Ca 0.00 0.78 0.02 0.00 -0.60 0.00 0.00 56.93 57.13 3bvb s PHE 53 Cb 0.00 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 3bvb s PHE 53 CO 0.00 0.41 -0.08 0.96 0.70 0.00 0.00 175.22 177.22 3bvb s ILE 54 N -1.60 0.69 0.04 0.64 -4.36 -0.45 -4.97 121.20 111.18 3bvb s ILE 54 Ca 0.40 -1.59 -0.25 0.00 -0.26 0.00 0.00 60.65 58.95 3bvb s ILE 54 Cb -0.13 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 3bvb s ILE 54 CO 0.21 -0.65 0.78 -0.54 0.24 0.00 0.00 174.94 174.99 3bvb s LYS 55 N -2.87 4.51 0.24 0.37 1.02 -1.26 -1.33 119.74 120.42 3bvb s LYS 55 Ca 0.03 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.13 3bvb s LYS 55 Cb -0.01 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 3bvb s LYS 55 CO -0.02 0.24 0.05 0.14 -0.92 0.00 0.00 175.35 174.84 3bvb s VAL 56 N 0.09 0.77 -0.24 3.17 -7.23 -0.10 -4.72 120.40 112.14 3bvb s VAL 56 Ca 0.40 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 3bvb s VAL 56 Cb -0.20 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 3bvb s VAL 56 CO 0.23 -0.17 0.14 -0.13 -0.31 0.00 0.00 175.10 174.86 3bvb s ARG 57 N -3.95 3.97 -0.30 4.82 0.52 -0.36 -2.85 118.95 120.80 3bvb s ARG 57 Ca 0.33 -0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 3bvb s ARG 57 Cb 0.07 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3bvb s ARG 57 CO 0.11 -0.01 0.25 -1.14 0.02 0.00 0.00 175.30 174.53 3bvb s GLN 58 N 1.22 3.83 -0.16 3.54 0.74 0.10 -0.73 119.66 128.19 3bvb s GLN 58 Ca 0.07 -0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.11 3bvb s GLN 58 Cb -0.14 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 3bvb s GLN 58 CO 0.05 -0.29 -0.05 0.71 -0.55 0.00 0.00 175.29 175.17 3bvb s TYR 59 N 1.84 3.00 0.11 1.67 1.51 -0.34 -1.36 117.35 123.77 3bvb s TYR 59 Ca 0.09 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3bvb s TYR 59 Cb -0.16 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3bvb s TYR 59 CO 0.11 -0.09 0.23 -0.51 -1.11 0.00 0.00 175.55 174.18 3bvb s ASP 60 N 0.45 6.23 -1.32 2.29 1.01 -1.26 -0.89 116.67 123.17 3bvb s ASP 60 Ca -0.04 0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.31 3bvb s ASP 60 Cb -0.14 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 41.93 3bvb s ASP 60 CO 0.03 0.10 1.15 1.67 0.21 0.00 0.00 175.17 178.33 3bvb n GLN 61 N -0.16 -7.71 -3.25 8.23 7.27 -1.11 -4.89 117.38 115.77 3bvb n GLN 61 Ca -0.06 0.83 -0.39 0.00 0.07 0.00 0.00 57.00 57.45 3bvb n GLN 61 Cb 0.53 -5.86 -0.06 0.00 2.41 0.00 0.00 30.24 27.26 3bvb n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3bvb s ILE 62 N -3.32 5.02 -0.07 1.69 -1.09 -0.03 -4.66 121.20 118.74 3bvb s ILE 62 Ca 0.48 1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 59.75 3bvb s ILE 62 Cb -0.21 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 3bvb s ILE 62 CO 0.72 0.38 0.97 -0.63 -1.23 0.00 0.00 174.94 175.16 3bvb s ILE 63 N 0.10 4.84 -0.05 2.92 1.01 -1.26 -1.20 121.20 127.56 3bvb s ILE 63 Ca 0.29 1.99 -0.03 0.00 0.00 0.00 0.00 60.65 62.90 3bvb s ILE 63 Cb -0.17 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.03 3bvb s ILE 63 CO 0.15 0.08 0.12 -0.51 0.00 0.00 0.00 174.94 174.78 3bvb s ILE 64 N 1.56 -0.02 -0.17 2.92 2.07 -0.38 -4.48 121.20 122.70 3bvb s ILE 64 Ca 0.48 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.71 3bvb s ILE 64 Cb -0.19 -0.19 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 3bvb s ILE 64 CO 0.21 0.03 0.12 -0.70 -1.91 0.00 0.00 174.94 172.69 3bvb s GLU 65 N 0.48 3.93 -0.24 3.50 2.12 -0.19 -1.16 118.70 127.15 3bvb s GLU 65 Ca -0.03 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3bvb s GLU 65 Cb -0.05 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.10 3bvb s GLU 65 CO -0.02 0.43 -0.04 0.42 -0.54 0.00 0.00 175.26 175.51 3bvb s ILE 66 N -0.02 1.43 -1.45 -3.70 1.01 0.88 -0.62 121.20 118.73 3bvb s ILE 66 Ca 0.09 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 3bvb s ILE 66 Cb -0.11 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.66 3bvb s ILE 66 CO -0.00 -0.15 0.72 0.00 0.00 0.00 0.00 174.94 175.51 3bvb n ALA 67 N 4.70 -1.11 -0.65 9.38 0.00 -0.29 -0.49 120.51 132.05 3bvb n ALA 67 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3bvb n ALA 67 Cb 0.44 -3.87 0.00 0.00 0.00 0.00 0.00 19.45 16.02 3bvb n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bvb n GLY 68 N -1.51 0.88 3.66 0.00 0.00 -1.26 -5.03 105.19 101.93 3bvb n GLY 68 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3bvb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bvb s HIS 69 N -3.33 3.26 0.09 1.61 4.02 0.36 -5.09 115.29 116.20 3bvb s HIS 69 Ca 0.00 0.11 -0.29 0.00 1.02 0.00 0.00 55.06 55.90 3bvb s HIS 69 Cb 0.00 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.58 29.50 3bvb s HIS 69 CO 0.00 0.25 0.94 0.21 1.02 0.00 0.00 174.74 177.16 3bvb s LYS 70 N 0.01 4.66 0.06 1.40 2.47 -1.26 -0.08 119.74 126.99 3bvb s LYS 70 Ca 0.05 1.40 0.03 0.00 -1.56 0.00 0.00 55.97 55.89 3bvb s LYS 70 Cb -0.12 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 3bvb s LYS 70 CO 0.01 0.19 -0.08 0.00 0.16 0.00 0.00 175.35 175.62 3bvb s ALA 71 N 0.12 0.77 -0.15 3.13 0.00 -0.31 -4.79 121.76 120.54 3bvb s ALA 71 Ca 0.46 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3bvb s ALA 71 Cb -0.23 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.00 3bvb s ALA 71 CO 0.29 -0.04 0.08 0.42 0.00 0.00 0.00 175.76 176.50 3bvb s ILE 72 N -1.91 -0.06 0.00 0.00 1.01 -1.26 -1.25 121.20 117.73 3bvb s ILE 72 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3bvb s ILE 72 Cb -0.06 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.88 3bvb s ILE 72 CO -0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.35 3bvb n GLY 73 N 5.27 1.16 3.73 6.18 0.00 -0.34 -4.78 105.19 116.41 3bvb n GLY 73 Ca -0.06 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3bvb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bvb s THR 74 N -2.24 4.74 -0.09 2.61 2.01 -1.26 -0.85 115.64 120.56 3bvb s THR 74 Ca 0.00 1.87 0.03 0.00 0.31 0.00 0.00 61.69 63.89 3bvb s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3bvb s THR 74 CO 0.00 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 3bvb s VAL 75 N 0.38 1.52 -0.07 3.82 1.01 -0.07 -4.51 120.40 122.47 3bvb s VAL 75 Ca 0.45 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3bvb s VAL 75 Cb -0.21 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 3bvb s VAL 75 CO 0.26 0.44 0.30 -0.76 0.00 0.00 0.00 175.10 175.34 3bvb s LEU 76 N 0.65 4.40 -0.16 3.92 1.43 -0.18 -1.20 118.68 127.55 3bvb s LEU 76 Ca -0.14 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3bvb s LEU 76 Cb -0.16 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 3bvb s LEU 76 CO 0.04 0.31 -0.16 -0.69 0.23 0.00 0.00 176.35 176.08 3bvb s VAL 77 N -0.76 2.61 -0.03 -1.59 1.01 0.09 -0.50 120.40 121.23 3bvb s VAL 77 Ca 0.19 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 3bvb s VAL 77 Cb -0.14 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.17 3bvb s VAL 77 CO 0.08 0.52 0.44 0.61 0.00 0.00 0.00 175.10 176.75 3bvb n GLY 78 N 4.10 0.33 3.15 4.51 0.00 -0.63 -1.23 105.19 115.43 3bvb n GLY 78 Ca -0.19 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3bvb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bvb n PRO 79 N -0.32 2.58 -3.82 1.61 -0.04 -1.26 -3.99 135.00 129.76 3bvb n PRO 79 Ca 0.02 -2.66 -0.34 0.00 -0.04 0.00 0.00 63.50 60.48 3bvb n PRO 79 Cb 0.19 -3.34 -0.05 0.00 -0.04 0.00 0.00 33.50 30.26 3bvb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3bvb s THR 80 N 4.75 5.35 0.44 0.52 -1.32 -1.26 -5.00 115.64 119.12 3bvb s THR 80 Ca 0.53 0.02 0.22 0.00 -1.21 0.00 0.00 61.69 61.25 3bvb s THR 80 Cb 0.09 -3.56 0.24 0.00 -1.51 0.00 0.00 72.50 67.77 3bvb s THR 80 CO 0.02 0.33 2.04 -0.65 -2.21 0.00 0.00 174.62 174.15 3bvb h PRO 81 N 3.84 0.00 -3.22 7.08 0.11 -1.98 -3.45 132.00 134.38 3bvb h PRO 81 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3bvb h PRO 81 Cb 1.19 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 3bvb h PRO 81 CO 0.68 0.15 -0.32 0.54 -0.21 0.00 0.00 178.00 178.84 3bvb s VAL 82 N -4.41 0.07 0.21 3.15 0.11 -1.26 -5.12 120.40 113.15 3bvb s VAL 82 Ca -0.03 -0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 58.12 3bvb s VAL 82 Cb 0.14 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.22 3bvb s VAL 82 CO 0.63 -0.33 1.39 0.20 -3.33 0.00 0.00 175.10 173.67 3bvb s ASN 83 N -1.56 6.76 -0.07 3.54 0.01 -1.26 -4.82 114.94 117.54 3bvb s ASN 83 Ca -0.11 2.52 0.04 0.00 -0.71 0.00 0.00 52.86 54.60 3bvb s ASN 83 Cb -0.04 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3bvb s ASN 83 CO 0.02 -0.64 -0.18 0.27 -1.51 0.00 0.00 177.10 175.06 3bvb s ILE 84 N 0.24 1.57 -0.38 0.60 -4.36 0.56 -0.71 121.20 118.72 3bvb s ILE 84 Ca 0.60 -0.76 -0.17 0.00 -0.26 0.00 0.00 60.65 60.06 3bvb s ILE 84 Cb -0.39 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 41.95 3bvb s ILE 84 CO 0.39 0.45 0.42 -0.63 0.24 0.00 0.00 174.94 175.81 3bvb s ILE 85 N 0.33 5.11 0.33 8.37 -1.09 0.07 -1.28 121.20 133.03 3bvb s ILE 85 Ca -0.12 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 3bvb s ILE 85 Cb -0.15 -3.94 0.06 0.00 -1.58 0.00 0.00 42.46 36.85 3bvb s ILE 85 CO 0.05 -0.26 0.46 0.61 -1.23 0.00 0.00 174.94 174.56 3bvb n GLY 86 N 5.01 1.43 0.24 6.18 0.00 -1.22 -0.87 105.19 115.95 3bvb n GLY 86 Ca -0.08 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 43.91 3bvb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bvb h ARG 87 N 0.00 0.00 -0.61 1.61 3.08 -0.72 -0.55 114.38 117.18 3bvb h ARG 87 Ca -0.15 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.99 3bvb h ARG 87 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 3bvb h ARG 87 CO 0.19 0.13 0.41 -2.95 -1.07 0.00 0.00 179.97 176.68 3bvb h ASN 88 N 0.00 0.42 0.00 7.04 -0.00 -1.72 -1.51 115.58 119.81 3bvb h ASN 88 Ca -0.00 0.01 -0.22 0.00 -0.00 0.00 0.00 56.30 56.08 3bvb h ASN 88 Cb 0.24 -0.08 -0.04 0.00 -0.00 0.00 0.00 38.32 38.44 3bvb h ASN 88 CO 0.02 0.26 -2.19 0.18 -0.00 0.00 0.00 177.43 175.70 3bvb n LEU 89 N -4.48 0.00 -0.25 6.14 4.77 -0.72 -4.11 117.00 118.36 3bvb n LEU 89 Ca 0.10 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 3bvb n LEU 89 Cb 0.33 0.30 0.23 0.00 -2.33 0.00 0.00 43.42 41.95 3bvb n LEU 89 CO 0.34 0.30 1.25 -0.07 -1.33 0.00 0.00 177.39 177.88 3bvb h LEU 90 N 0.00 0.91 -1.20 2.23 3.38 -0.94 -1.45 115.31 118.24 3bvb h LEU 90 Ca -0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3bvb h LEU 90 Cb 1.74 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 3bvb h LEU 90 CO 0.02 0.65 -0.03 0.71 0.09 0.00 0.00 178.44 179.87 3bvb h THR 91 N 1.06 1.20 0.00 0.22 1.35 -1.46 -0.92 112.91 114.37 3bvb h THR 91 Ca 0.30 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 65.23 3bvb h THR 91 Cb -0.08 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 3bvb h THR 91 CO -0.07 0.28 -0.43 1.56 -0.25 0.00 0.00 175.52 176.61 3bvb h GLN 92 N 0.49 0.00 -0.15 4.72 4.20 -1.43 -2.53 115.11 120.41 3bvb h GLN 92 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3bvb h GLN 92 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3bvb h GLN 92 CO 0.02 0.43 0.00 0.44 -0.67 0.00 0.00 178.83 179.04 3bvb n ILE 93 N -4.00 0.18 -1.55 2.54 -5.35 -0.96 -4.92 119.36 105.29 3bvb n ILE 93 Ca -0.02 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3bvb n ILE 93 Cb 0.46 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 3bvb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bvb n GLY 94 N 1.20 0.50 3.78 3.28 0.00 -0.95 -5.02 105.19 107.98 3bvb n GLY 94 Ca 0.17 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3bvb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bvb s ALA 95 N -2.00 3.29 0.11 4.61 0.00 -0.38 -5.02 121.76 122.38 3bvb s ALA 95 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3bvb s ALA 95 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3bvb s ALA 95 CO 0.00 0.22 -0.10 0.95 0.00 0.00 0.00 175.76 176.83 3bvb s THR 96 N -1.49 1.03 -0.09 0.00 -4.23 -1.26 -4.71 115.64 104.90 3bvb s THR 96 Ca 0.46 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 3bvb s THR 96 Cb -0.20 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 3bvb s THR 96 CO 0.25 -0.62 0.28 -0.22 -0.54 0.00 0.00 174.62 173.76 3bvb s LEU 97 N -2.71 4.38 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.74 3bvb s LEU 97 Ca 0.10 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 3bvb s LEU 97 Cb -0.01 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.35 3bvb s LEU 97 CO 0.00 0.29 -0.07 0.20 -1.32 0.00 0.00 176.35 175.46 3bvb s ASN 98 N -0.63 0.93 0.00 3.68 0.01 -1.26 -5.29 114.94 112.38 3bvb s ASN 98 Ca 0.18 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 3bvb s ASN 98 Cb -0.14 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.29 3bvb s ASN 98 CO 0.07 0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.93