#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 3.89 -0.27 0.54 0.74 -1.26 -5.09 119.66 118.21 3bvb s GLN 2 Ca 0.00 -0.36 -0.07 0.00 0.05 0.00 0.00 55.36 54.98 3bvb s GLN 2 Cb 0.00 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 3bvb s GLN 2 CO 0.00 -0.09 0.06 0.42 -0.55 0.00 0.00 175.29 175.14 3bvb s ILE 3 N 1.43 4.00 0.82 -2.34 1.01 -1.26 -5.10 121.20 119.76 3bvb s ILE 3 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3bvb s ILE 3 Cb -0.15 -2.97 0.09 0.00 0.01 0.00 0.00 42.46 39.44 3bvb s ILE 3 CO 0.06 0.20 1.19 0.42 0.00 0.00 0.00 174.94 176.82 3bvb s THR 4 N 1.53 2.00 -0.16 2.92 -4.23 -1.26 -4.99 115.64 111.46 3bvb s THR 4 Ca 0.04 -0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 3bvb s THR 4 Cb -0.16 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.02 3bvb s THR 4 CO 0.02 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.48 3bvb n LEU 5 N -3.36 2.60 0.08 4.79 4.77 -1.26 -4.53 117.00 120.09 3bvb n LEU 5 Ca 0.09 -3.28 0.03 0.00 -0.03 0.00 0.00 56.01 52.82 3bvb n LEU 5 Cb 0.61 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.63 3bvb n LEU 5 CO 0.56 0.87 0.98 -0.50 -1.33 0.00 0.00 177.39 177.97 3bvb h TRP 6 N 0.38 0.36 -2.76 -1.77 4.06 -2.06 -3.44 115.95 110.72 3bvb h TRP 6 Ca 0.01 -0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.45 3bvb h TRP 6 Cb 1.06 -0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.97 3bvb h TRP 6 CO 0.23 0.36 -0.60 0.15 -3.56 0.00 0.00 178.44 175.02 3bvb s LYS 7 N -5.00 1.68 0.29 0.49 -0.14 -1.26 -5.10 119.74 110.70 3bvb s LYS 7 Ca -0.07 -1.94 -0.30 0.00 -1.36 0.00 0.00 55.97 52.30 3bvb s LYS 7 Cb 0.16 -0.90 -0.11 0.00 -1.68 0.00 0.00 37.83 35.30 3bvb s LYS 7 CO 0.73 -0.19 1.60 1.03 -0.76 0.00 0.00 175.35 177.76 3bvb s ARG 8 N -3.88 4.12 -1.12 1.68 0.52 -1.26 -4.87 118.95 114.14 3bvb s ARG 8 Ca 0.36 2.58 -0.21 0.00 -0.52 0.00 0.00 55.73 57.94 3bvb s ARG 8 Cb 0.09 -3.03 0.07 0.00 0.52 0.00 0.00 34.95 32.60 3bvb s ARG 8 CO 0.16 -0.64 1.53 -1.25 0.02 0.00 0.00 175.30 175.12 3bvb s PRO 9 N -0.42 3.75 -0.13 3.54 0.04 -1.26 -4.96 135.00 135.56 3bvb s PRO 9 Ca 0.64 -1.53 -0.07 0.00 0.04 0.00 0.00 61.00 60.08 3bvb s PRO 9 Cb -0.48 -5.38 -0.04 0.00 0.04 0.00 0.00 34.50 28.64 3bvb s PRO 9 CO 0.47 -2.18 0.12 -0.51 0.04 0.00 0.00 177.00 174.94 3bvb s LEU 10 N 4.43 4.27 0.14 -3.56 1.43 -1.26 -1.17 118.68 122.96 3bvb s LEU 10 Ca 0.48 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 3bvb s LEU 10 Cb 0.01 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3bvb s LEU 10 CO -0.03 0.36 -0.06 0.68 0.23 0.00 0.00 176.35 177.53 3bvb s VAL 11 N -0.71 0.87 0.00 -1.59 -7.23 0.17 -4.95 120.40 106.95 3bvb s VAL 11 Ca 0.13 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 3bvb s VAL 11 Cb -0.12 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3bvb s VAL 11 CO 0.03 -0.70 0.61 -0.89 -0.31 0.00 0.00 175.10 173.84 3bvb s THR 12 N -3.52 4.89 0.22 5.32 2.01 -1.26 -0.80 115.64 122.49 3bvb s THR 12 Ca 0.17 1.29 0.10 0.00 0.31 0.00 0.00 61.69 63.56 3bvb s THR 12 Cb 0.05 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 3bvb s THR 12 CO -0.00 0.42 -0.19 0.27 -0.69 0.00 0.00 174.62 174.43 3bvb s ILE 13 N -0.20 2.12 -0.14 1.82 -4.36 0.59 -1.14 121.20 119.89 3bvb s ILE 13 Ca 0.32 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3bvb s ILE 13 Cb -0.18 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.44 3bvb s ILE 13 CO 0.18 -0.38 -0.19 -0.75 0.24 0.00 0.00 174.94 174.04 3bvb s LYS 14 N -3.24 2.70 -0.11 0.37 2.20 0.00 -1.33 119.74 120.32 3bvb s LYS 14 Ca 0.23 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 55.04 3bvb s LYS 14 Cb -0.05 -2.27 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 3bvb s LYS 14 CO 0.10 -0.09 0.28 -1.50 -0.36 0.00 0.00 175.35 173.78 3bvb s ILE 15 N 1.04 -0.02 -1.97 5.43 2.07 -0.32 -1.21 121.20 126.22 3bvb s ILE 15 Ca -0.03 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3bvb s ILE 15 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.03 3bvb s ILE 15 CO -0.05 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 3bvb n GLY 16 N 3.77 0.66 1.98 1.50 0.00 -1.26 -0.87 105.19 110.96 3bvb n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 1.11 3.47 -0.02 0.00 -1.26 -5.03 105.19 102.74 3bvb n GLY 17 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.34 2.83 0.07 1.61 -0.21 -0.05 -5.10 119.66 118.46 3bvb s GLN 18 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.49 3bvb s GLN 18 Cb 0.00 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.44 3bvb s GLN 18 CO 0.00 0.51 0.71 -0.51 -2.12 0.00 0.00 175.29 173.89 3bvb s LEU 19 N -0.43 4.49 0.04 2.90 1.43 -1.26 -1.17 118.68 124.67 3bvb s LEU 19 Ca 0.05 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.57 3bvb s LEU 19 Cb -0.12 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3bvb s LEU 19 CO 0.02 0.11 -0.03 -0.54 0.23 0.00 0.00 176.35 176.14 3bvb s LYS 20 N -0.47 0.47 -0.02 1.70 1.02 -0.45 -4.99 119.74 117.01 3bvb s LYS 20 Ca 0.35 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3bvb s LYS 20 Cb -0.21 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 3bvb s LYS 20 CO 0.22 -0.08 0.30 -2.00 -0.92 0.00 0.00 175.35 172.87 3bvb s GLU 21 N -2.79 3.69 0.04 1.68 2.12 -1.26 -0.30 118.70 121.88 3bvb s GLU 21 Ca -0.04 0.13 -0.06 0.00 0.36 0.00 0.00 54.97 55.37 3bvb s GLU 21 Cb -0.00 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 3bvb s GLU 21 CO -0.06 0.69 0.10 0.00 -0.54 0.00 0.00 175.26 175.45 3bvb s ALA 22 N -1.15 -0.08 -0.14 6.30 0.00 0.02 -4.53 121.76 122.18 3bvb s ALA 22 Ca 0.23 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 3bvb s ALA 22 Cb -0.14 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3bvb s ALA 22 CO 0.12 -0.32 0.42 -1.17 0.00 0.00 0.00 175.76 174.80 3bvb s LEU 23 N -2.13 4.25 -0.30 0.00 2.96 0.12 -0.66 118.68 122.93 3bvb s LEU 23 Ca -0.05 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 3bvb s LEU 23 Cb -0.01 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 44.11 3bvb s LEU 23 CO -0.05 0.01 1.17 -0.76 -1.32 0.00 0.00 176.35 175.41 3bvb s LEU 24 N 0.70 3.94 -0.37 -0.68 1.43 -0.32 -0.66 118.68 122.72 3bvb s LEU 24 Ca 0.22 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 3bvb s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3bvb s LEU 24 CO 0.08 -0.94 0.13 0.21 0.23 0.00 0.00 176.35 176.06 3bvb s ASN 25 N 2.09 4.15 0.12 2.29 3.84 -0.16 -4.80 114.94 122.47 3bvb s ASN 25 Ca 0.50 -2.14 0.19 0.00 0.21 0.00 0.00 52.86 51.62 3bvb s ASN 25 Cb -0.15 -1.17 0.79 0.00 -0.55 0.00 0.00 41.25 40.17 3bvb s ASN 25 CO 0.18 -0.35 1.58 0.35 -2.79 0.00 0.00 177.10 176.07 3bvb n THR 26 N 4.22 0.91 1.58 -5.21 -2.24 -1.26 -2.74 114.28 109.53 3bvb n THR 26 Ca 0.03 0.23 0.14 0.00 -2.27 0.00 0.00 64.05 62.18 3bvb n THR 26 Cb 0.39 -1.06 0.59 0.00 -2.10 0.00 0.00 70.33 68.16 3bvb n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bvb n GLY 27 N 0.04 -0.18 3.35 3.38 0.00 -1.26 -4.83 105.19 105.68 3bvb n GLY 27 Ca 0.03 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.98 2.54 0.00 4.61 0.00 -1.11 -5.02 121.76 120.80 3bvb s ALA 28 Ca 0.39 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 51.22 3bvb s ALA 28 Cb 0.21 -1.13 -0.18 0.00 0.00 0.00 0.00 23.12 22.02 3bvb s ALA 28 CO 0.33 0.27 1.26 -0.44 0.00 0.00 0.00 175.76 177.18 3bvb h ASP 29 N 6.65 0.22 -2.92 0.00 3.32 -1.88 0.65 116.42 122.46 3bvb h ASP 29 Ca -0.25 -0.54 -0.61 0.00 0.02 0.00 0.00 57.03 55.65 3bvb h ASP 29 Cb 1.22 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.58 3bvb h ASP 29 CO 0.54 0.71 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.27 3bvb s ASP 30 N -6.01 4.52 0.04 6.45 1.01 -1.26 -1.67 116.67 119.76 3bvb s ASP 30 Ca -0.15 -0.49 -0.29 0.00 0.71 0.00 0.00 52.55 52.34 3bvb s ASP 30 Cb 0.03 -0.87 -0.04 0.00 1.01 0.00 0.00 42.92 43.04 3bvb s ASP 30 CO 0.72 0.09 0.92 -0.89 0.21 0.00 0.00 175.17 176.23 3bvb s THR 31 N -1.73 4.72 -0.08 -1.27 2.01 -1.26 -3.77 115.64 114.26 3bvb s THR 31 Ca 0.26 1.95 -0.00 0.00 0.31 0.00 0.00 61.69 64.21 3bvb s THR 31 Cb -0.09 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.18 3bvb s THR 31 CO 0.17 0.26 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.62 3bvb s VAL 32 N 0.45 0.70 0.05 3.82 1.01 -0.18 -0.92 120.40 125.34 3bvb s VAL 32 Ca 0.47 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.40 3bvb s VAL 32 Cb -0.22 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3bvb s VAL 32 CO 0.27 0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.81 3bvb s ILE 33 N 1.49 2.48 0.95 2.22 -1.09 0.42 -0.53 121.20 127.15 3bvb s ILE 33 Ca -0.01 -1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 56.96 3bvb s ILE 33 Cb -0.13 -2.02 0.11 0.00 -1.58 0.00 0.00 42.46 38.83 3bvb s ILE 33 CO -0.04 0.32 0.77 -1.84 -1.23 0.00 0.00 174.94 172.92 3bvb n GLU 34 N 1.56 -0.54 -1.63 2.79 0.28 -1.26 -1.44 120.64 120.40 3bvb n GLU 34 Ca -0.17 -0.11 -0.49 0.00 -0.16 0.00 0.00 57.16 56.24 3bvb n GLU 34 Cb 0.52 -2.11 -0.05 0.00 1.43 0.00 0.00 31.44 31.23 3bvb n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3bvb n GLU 35 N -3.10 1.68 -3.57 3.44 -0.58 -1.22 -4.55 120.64 112.75 3bvb n GLU 35 Ca 0.09 0.61 -0.08 0.00 -0.42 0.00 0.00 57.16 57.35 3bvb n GLU 35 Cb 0.53 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 3bvb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bvb s MET 36 N 0.61 1.11 0.06 3.49 0.23 -1.26 -5.04 119.30 118.51 3bvb s MET 36 Ca 0.80 -0.49 -0.22 0.00 -1.03 0.00 0.00 55.69 54.76 3bvb s MET 36 Cb -0.80 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 32.90 3bvb s MET 36 CO 0.43 -0.49 0.65 0.45 -2.03 0.00 0.00 175.02 174.02 3bvb s SER 37 N -2.69 7.12 0.08 -1.18 0.15 -1.26 -5.02 113.70 110.91 3bvb s SER 37 Ca 0.06 1.34 0.05 0.00 0.70 0.00 0.00 55.95 58.10 3bvb s SER 37 Cb -0.02 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3bvb s SER 37 CO -0.06 0.17 -0.14 -0.76 1.20 0.00 0.00 173.24 173.65 3bvb s LEU 38 N -0.69 2.30 0.58 3.45 1.43 -1.26 -4.91 118.68 119.58 3bvb s LEU 38 Ca 0.32 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 3bvb s LEU 38 Cb -0.20 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 3bvb s LEU 38 CO 0.20 -0.09 1.05 -2.16 0.23 0.00 0.00 176.35 175.58 3bvb s PRO 39 N -1.90 3.41 0.54 1.29 0.04 -1.26 -4.95 135.00 132.17 3bvb s PRO 39 Ca -0.00 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3bvb s PRO 39 Cb -0.09 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3bvb s PRO 39 CO 0.02 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3bvb n GLY 40 N -1.00 -1.86 3.86 0.56 0.00 -1.26 -4.98 105.19 100.51 3bvb n GLY 40 Ca 0.09 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 3bvb n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bvb s ARG 41 N 0.00 3.69 0.19 1.61 1.04 -1.26 -5.07 118.95 119.14 3bvb s ARG 41 Ca 0.00 0.84 -0.09 0.00 -1.04 0.00 0.00 55.73 55.44 3bvb s ARG 41 Cb 0.00 -2.09 -0.01 0.00 -2.04 0.00 0.00 34.95 30.81 3bvb s ARG 41 CO 0.00 -0.49 0.33 1.67 -0.04 0.00 0.00 175.30 176.76 3bvb s TRP 42 N -2.97 0.45 0.03 5.89 1.48 -1.26 -4.40 118.94 118.16 3bvb s TRP 42 Ca 0.57 -0.79 -0.03 0.00 -1.06 0.00 0.00 56.10 54.78 3bvb s TRP 42 Cb -0.11 -0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.16 3bvb s TRP 42 CO 0.46 -0.79 0.04 -1.59 -4.06 0.00 0.00 176.95 171.01 3bvb s LYS 43 N -4.00 0.50 0.50 3.25 -2.85 -0.74 -4.92 119.74 111.47 3bvb s LYS 43 Ca 0.20 -0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 54.24 3bvb s LYS 43 Cb 0.03 0.19 -0.08 0.00 -2.06 0.00 0.00 37.83 35.90 3bvb s LYS 43 CO 0.03 -0.11 1.02 -1.25 0.10 0.00 0.00 175.35 175.14 3bvb s PRO 44 N -2.33 3.82 0.02 1.78 0.04 -1.26 -0.32 135.00 136.74 3bvb s PRO 44 Ca -0.08 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 3bvb s PRO 44 Cb -0.03 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3bvb s PRO 44 CO -0.04 -0.40 0.25 0.21 0.04 0.00 0.00 177.00 177.06 3bvb s LYS 45 N -3.46 0.68 -0.09 4.56 2.20 -0.56 -4.84 119.74 118.21 3bvb s LYS 45 Ca 0.65 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 3bvb s LYS 45 Cb -0.14 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 3bvb s LYS 45 CO 0.23 -0.19 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.24 3bvb s MET 46 N -1.94 2.97 0.07 4.03 -1.94 -1.26 -0.68 119.30 120.56 3bvb s MET 46 Ca -0.10 -0.70 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 3bvb s MET 46 Cb -0.04 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 3bvb s MET 46 CO 0.00 0.40 -0.17 0.96 -0.01 0.00 0.00 175.02 176.19 3bvb s ILE 47 N -0.14 1.40 -0.00 2.53 -4.36 -0.54 -4.97 121.20 115.12 3bvb s ILE 47 Ca -0.01 -1.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.06 3bvb s ILE 47 Cb -0.14 -1.28 -0.00 0.00 1.25 0.00 0.00 42.46 42.30 3bvb s ILE 47 CO 0.03 -0.03 0.08 -0.83 0.24 0.00 0.00 174.94 174.43 3bvb s GLY 48 N -1.53 0.07 0.00 6.27 0.00 -1.26 -0.56 107.32 110.31 3bvb s GLY 48 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3bvb s GLY 48 CO 0.02 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.49 3bvb n GLY 49 N 1.93 4.00 0.40 0.20 0.00 -0.36 -4.96 105.19 106.39 3bvb n GLY 49 Ca -0.20 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 3bvb n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bvb h ILE 50 N 0.00 0.00 0.00 -0.61 2.04 -2.04 -1.00 117.51 115.90 3bvb h ILE 50 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bvb h ILE 50 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3bvb h ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3bvb n GLY 51 N -1.27 -0.08 0.00 5.37 0.00 -1.26 -5.05 105.19 102.90 3bvb n GLY 51 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.71 -0.70 3.74 -0.02 0.00 -0.38 -5.05 105.19 102.07 3bvb n GLY 52 Ca 0.01 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 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 0.00 3.05 0.12 1.61 0.40 -1.26 -1.23 117.98 120.68 3bvb s PHE 53 Ca 0.00 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 3bvb s PHE 53 Cb 0.00 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 3bvb s PHE 53 CO 0.00 0.51 -0.18 0.96 0.70 0.00 0.00 175.22 177.21 3bvb s ILE 54 N -1.57 1.59 -0.07 0.64 -4.36 0.28 -4.97 121.20 112.73 3bvb s ILE 54 Ca 0.29 -1.65 -0.19 0.00 -0.26 0.00 0.00 60.65 58.83 3bvb s ILE 54 Cb -0.11 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 3bvb s ILE 54 CO 0.21 -0.23 0.53 -0.75 0.24 0.00 0.00 174.94 174.94 3bvb s LYS 55 N -2.29 4.31 0.24 0.37 2.20 -1.26 -1.47 119.74 121.83 3bvb s LYS 55 Ca 0.08 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 3bvb s LYS 55 Cb -0.08 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3bvb s LYS 55 CO 0.04 0.25 -0.02 0.14 -0.36 0.00 0.00 175.35 175.40 3bvb s VAL 56 N 0.29 1.18 -0.21 4.02 -7.23 0.15 -4.45 120.40 114.16 3bvb s VAL 56 Ca 0.28 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.30 3bvb s VAL 56 Cb -0.16 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3bvb s VAL 56 CO 0.13 -0.35 0.14 -0.13 -0.31 0.00 0.00 175.10 174.58 3bvb s ARG 57 N -3.82 4.17 -0.34 4.82 0.52 0.29 -1.50 118.95 123.08 3bvb s ARG 57 Ca 0.28 -0.23 -0.14 0.00 -0.52 0.00 0.00 55.73 55.12 3bvb s ARG 57 Cb 0.05 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 3bvb s ARG 57 CO 0.09 0.25 0.31 -1.14 0.02 0.00 0.00 175.30 174.83 3bvb s GLN 58 N 0.51 3.52 -0.15 3.54 0.74 0.56 -0.68 119.66 127.70 3bvb s GLN 58 Ca 0.08 -0.53 -0.05 0.00 0.05 0.00 0.00 55.36 54.92 3bvb s GLN 58 Cb -0.12 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 3bvb s GLN 58 CO -0.01 -0.50 0.00 0.71 -0.55 0.00 0.00 175.29 174.95 3bvb s TYR 59 N 1.89 3.12 0.21 1.67 1.51 -0.42 -1.80 117.35 123.53 3bvb s TYR 59 Ca 0.09 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3bvb s TYR 59 Cb -0.17 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3bvb s TYR 59 CO 0.11 0.11 0.31 -0.51 -1.11 0.00 0.00 175.55 174.46 3bvb s ASP 60 N 0.15 6.21 -1.24 2.29 1.01 -1.26 -1.07 116.67 122.76 3bvb s ASP 60 Ca 0.01 0.06 -0.00 0.00 0.71 0.00 0.00 52.55 53.33 3bvb s ASP 60 Cb -0.13 -1.81 -0.00 0.00 1.01 0.00 0.00 42.92 41.98 3bvb s ASP 60 CO 0.02 -0.02 0.87 0.00 0.21 0.00 0.00 175.17 176.25 3bvb n GLN 61 N -1.06 -5.69 -3.93 8.23 6.02 -1.16 -4.91 117.38 114.88 3bvb n GLN 61 Ca -0.08 0.75 -0.35 0.00 -0.01 0.00 0.00 57.00 57.31 3bvb n GLN 61 Cb 0.56 -5.56 -0.08 0.00 1.02 0.00 0.00 30.24 26.18 3bvb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3bvb s ILE 62 N -3.49 5.09 -0.02 5.09 -1.09 0.09 -4.82 121.20 122.04 3bvb s ILE 62 Ca 0.02 0.07 -0.19 0.00 -2.23 0.00 0.00 60.65 58.32 3bvb s ILE 62 Cb -0.00 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3bvb s ILE 62 CO 0.77 0.51 0.54 -0.63 -1.23 0.00 0.00 174.94 174.89 3bvb s ILE 63 N -0.08 4.97 0.03 2.92 1.01 -1.26 -1.45 121.20 127.34 3bvb s ILE 63 Ca 0.08 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.89 3bvb s ILE 63 Cb -0.12 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3bvb s ILE 63 CO 0.01 0.43 -0.10 -0.63 0.00 0.00 0.00 174.94 174.64 3bvb s ILE 64 N -0.22 0.81 -0.25 2.92 1.01 -0.01 -4.52 121.20 120.94 3bvb s ILE 64 Ca 0.29 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3bvb s ILE 64 Cb -0.17 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3bvb s ILE 64 CO 0.15 -0.08 0.08 -0.70 0.00 0.00 0.00 174.94 174.39 3bvb s GLU 65 N -1.04 3.67 -0.25 2.79 2.12 -0.35 -0.79 118.70 124.85 3bvb s GLU 65 Ca -0.02 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.87 3bvb s GLU 65 Cb -0.07 -3.34 0.05 0.00 0.26 0.00 0.00 34.13 31.03 3bvb s GLU 65 CO 0.01 -0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 174.85 3bvb s ILE 66 N 1.61 2.25 -1.69 -3.70 1.01 0.49 -0.82 121.20 120.36 3bvb s ILE 66 Ca 0.06 -1.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.07 3bvb s ILE 66 Cb -0.15 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.16 3bvb s ILE 66 CO 0.04 0.04 0.45 0.00 0.00 0.00 0.00 174.94 175.46 3bvb n ALA 67 N 4.48 -1.56 -0.01 9.38 0.00 -0.29 -0.25 120.51 132.26 3bvb n ALA 67 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3bvb n ALA 67 Cb 0.43 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.70 0.94 3.43 0.00 0.00 -1.26 -5.04 105.19 101.56 3bvb n GLY 68 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.32 2.96 0.09 1.61 4.02 0.65 -5.08 115.29 117.22 3bvb s HIS 69 Ca 0.00 -0.49 -0.21 0.00 1.02 0.00 0.00 55.06 55.38 3bvb s HIS 69 Cb 0.00 -1.97 -0.07 0.00 -1.02 0.00 0.00 32.58 29.53 3bvb s HIS 69 CO 0.00 -0.18 0.63 0.15 1.02 0.00 0.00 174.74 176.36 3bvb s LYS 70 N 0.59 4.31 0.08 1.40 1.02 -1.26 -0.38 119.74 125.50 3bvb s LYS 70 Ca -0.04 0.85 -0.07 0.00 0.02 0.00 0.00 55.97 56.74 3bvb s LYS 70 Cb -0.15 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3bvb s LYS 70 CO 0.03 0.59 0.13 0.00 -0.92 0.00 0.00 175.35 175.18 3bvb s ALA 71 N -1.00 -0.05 0.03 5.17 0.00 0.03 -4.87 121.76 121.08 3bvb s ALA 71 Ca 0.31 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.57 3bvb s ALA 71 Cb -0.20 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3bvb s ALA 71 CO 0.21 -0.46 -0.14 -1.50 0.00 0.00 0.00 175.76 173.86 3bvb s ILE 72 N -3.78 1.11 -1.47 0.00 2.07 -1.26 -0.83 121.20 117.04 3bvb s ILE 72 Ca 0.05 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 3bvb s ILE 72 Cb 0.05 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.65 3bvb s ILE 72 CO -0.10 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 3bvb n GLY 73 N 2.05 -0.91 3.76 1.50 0.00 -0.53 -4.92 105.19 106.15 3bvb n GLY 73 Ca -0.17 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.00 4.17 -0.09 2.61 2.01 -1.26 -0.74 115.64 119.35 3bvb s THR 74 Ca 0.00 1.96 0.02 0.00 0.31 0.00 0.00 61.69 63.98 3bvb s THR 74 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 3bvb s THR 74 CO 0.00 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 3bvb s VAL 75 N -1.17 1.40 -0.10 3.82 1.01 -0.24 -4.36 120.40 120.76 3bvb s VAL 75 Ca 0.39 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 3bvb s VAL 75 Cb -0.25 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3bvb s VAL 75 CO 0.30 0.42 0.28 -0.76 0.00 0.00 0.00 175.10 175.33 3bvb s LEU 76 N 0.80 4.36 -0.12 3.92 1.43 -0.09 -1.30 118.68 127.68 3bvb s LEU 76 Ca -0.11 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3bvb s LEU 76 Cb -0.16 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3bvb s LEU 76 CO 0.02 0.27 -0.20 -0.69 0.23 0.00 0.00 176.35 175.97 3bvb s VAL 77 N -0.47 1.85 -0.60 -1.59 1.01 0.15 -0.43 120.40 120.32 3bvb s VAL 77 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3bvb s VAL 77 Cb -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3bvb s VAL 77 CO 0.07 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3bvb n GLY 78 N 3.96 -1.19 2.14 4.51 0.00 -0.52 -0.55 105.19 113.54 3bvb n GLY 78 Ca -0.20 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 2.77 -2.53 1.61 -0.04 -1.26 -3.38 135.00 132.17 3bvb n PRO 79 Ca 0.00 -1.56 -0.39 0.00 -0.04 0.00 0.00 63.50 61.51 3bvb n PRO 79 Cb 0.00 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 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 1.48 3.63 -0.30 0.52 -1.32 -1.26 -4.95 115.64 113.44 3bvb s THR 80 Ca 0.68 1.53 0.27 0.00 -1.21 0.00 0.00 61.69 62.96 3bvb s THR 80 Cb 0.26 -3.92 0.31 0.00 -1.51 0.00 0.00 72.50 67.63 3bvb s THR 80 CO -0.03 0.27 1.81 1.55 -2.21 0.00 0.00 174.62 176.01 3bvb h PRO 81 N 3.48 0.00 -3.36 7.08 0.13 -1.99 -3.44 132.00 133.90 3bvb h PRO 81 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 3bvb h PRO 81 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 3bvb h PRO 81 CO 0.66 0.00 -0.53 0.54 -0.23 0.00 0.00 178.00 178.43 3bvb s VAL 82 N -3.41 0.00 0.11 1.56 0.11 -1.26 -5.10 120.40 112.41 3bvb s VAL 82 Ca 0.04 -0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 3bvb s VAL 82 Cb 0.09 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.64 3bvb s VAL 82 CO 0.48 -0.02 1.26 0.20 -3.33 0.00 0.00 175.10 173.70 3bvb s ASN 83 N 0.01 6.99 -0.10 3.54 0.01 -1.26 -4.77 114.94 119.37 3bvb s ASN 83 Ca -0.01 2.17 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 3bvb s ASN 83 Cb -0.01 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.07 3bvb s ASN 83 CO 0.00 -0.51 -0.13 0.27 -1.51 0.00 0.00 177.10 175.23 3bvb s ILE 84 N 0.80 1.29 -0.39 0.60 -4.36 0.32 -0.70 121.20 118.75 3bvb s ILE 84 Ca 0.59 -0.51 -0.18 0.00 -0.26 0.00 0.00 60.65 60.28 3bvb s ILE 84 Cb -0.33 -1.21 0.01 0.00 1.25 0.00 0.00 42.46 42.18 3bvb s ILE 84 CO 0.31 0.40 0.52 -0.63 0.24 0.00 0.00 174.94 175.79 3bvb s ILE 85 N 1.10 4.99 0.73 8.37 -1.09 0.16 -1.01 121.20 134.45 3bvb s ILE 85 Ca -0.05 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 3bvb s ILE 85 Cb -0.14 -4.05 0.14 0.00 -1.58 0.00 0.00 42.46 36.84 3bvb s ILE 85 CO -0.02 -0.37 1.01 0.61 -1.23 0.00 0.00 174.94 174.93 3bvb n GLY 86 N 4.96 0.72 0.31 6.18 0.00 -1.25 -0.98 105.19 115.12 3bvb n GLY 86 Ca -0.05 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 0.42 -0.48 1.61 3.08 -0.72 -0.98 114.38 117.32 3bvb h ARG 87 Ca -0.33 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.80 3bvb h ARG 87 Cb 1.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3bvb h ARG 87 CO 0.36 0.28 0.33 -2.95 -1.07 0.00 0.00 179.97 176.93 3bvb h ASN 88 N 0.43 0.16 0.00 7.04 -0.00 -1.57 -1.20 115.58 120.44 3bvb h ASN 88 Ca 0.16 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.10 3bvb h ASN 88 Cb 0.11 -0.03 -0.07 0.00 -0.00 0.00 0.00 38.32 38.34 3bvb h ASN 88 CO -0.04 0.10 -2.37 0.18 -0.00 0.00 0.00 177.43 175.30 3bvb n LEU 89 N -4.44 0.11 -0.03 6.14 4.77 -0.68 -4.42 117.00 118.44 3bvb n LEU 89 Ca 0.08 -0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 3bvb n LEU 89 Cb 0.43 0.44 0.42 0.00 -2.33 0.00 0.00 43.42 42.38 3bvb n LEU 89 CO 0.35 0.51 1.17 -0.07 -1.33 0.00 0.00 177.39 178.02 3bvb h LEU 90 N 0.00 0.49 -1.07 2.23 3.38 -0.81 -1.53 115.31 117.99 3bvb h LEU 90 Ca -0.54 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 3bvb h LEU 90 Cb 2.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.82 3bvb h LEU 90 CO 0.03 0.34 0.28 0.71 0.09 0.00 0.00 178.44 179.88 3bvb h THR 91 N 0.57 1.22 0.00 0.22 1.35 -1.44 -1.52 112.91 113.30 3bvb h THR 91 Ca 0.19 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 65.34 3bvb h THR 91 Cb 0.05 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 3bvb h THR 91 CO -0.05 0.27 -0.20 1.56 -0.25 0.00 0.00 175.52 176.86 3bvb h GLN 92 N 0.93 0.00 -0.34 4.72 1.08 -1.49 -1.78 115.11 118.23 3bvb h GLN 92 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3bvb h GLN 92 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3bvb h GLN 92 CO -0.02 0.20 0.00 0.44 -0.95 0.00 0.00 178.83 178.50 3bvb n ILE 93 N -3.39 0.43 -1.86 2.54 -5.35 -1.09 -4.95 119.36 105.69 3bvb n ILE 93 Ca -0.00 -0.64 -0.02 0.00 -0.27 0.00 0.00 62.75 61.82 3bvb n ILE 93 Cb 0.40 0.79 -0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.40 0.33 3.74 3.28 0.00 -0.67 -5.00 105.19 108.27 3bvb n GLY 94 Ca 0.18 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.11 3.36 0.09 4.61 0.00 -0.60 -5.04 121.76 122.07 3bvb s ALA 95 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.79 3bvb s ALA 95 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3bvb s ALA 95 CO 0.00 -0.17 -0.10 0.95 0.00 0.00 0.00 175.76 176.44 3bvb s THR 96 N -0.35 0.89 -0.17 0.00 -4.23 -1.26 -4.73 115.64 105.79 3bvb s THR 96 Ca 0.48 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 59.31 3bvb s THR 96 Cb -0.29 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 3bvb s THR 96 CO 0.35 -0.51 0.32 -0.76 -0.54 0.00 0.00 174.62 173.48 3bvb s LEU 97 N -2.27 4.22 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.44 3bvb s LEU 97 Ca 0.03 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 3bvb s LEU 97 Cb -0.04 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3bvb s LEU 97 CO 0.00 0.05 -0.15 0.20 0.23 0.00 0.00 176.35 176.68 3bvb s ASN 98 N 0.65 2.00 0.00 2.29 0.01 -1.26 -5.30 114.94 113.34 3bvb s ASN 98 Ca 0.17 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 3bvb s ASN 98 Cb -0.13 -0.68 0.00 0.00 0.41 0.00 0.00 41.25 40.84 3bvb s ASN 98 CO 0.05 0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.97