#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bv8 s GLU 2 N 0.00 1.82 0.00 5.31 2.12 -1.26 -4.96 118.70 121.74 1bv8 s GLU 2 Ca 0.00 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.23 1bv8 s GLU 2 Cb 0.00 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1bv8 s GLU 2 CO 0.00 0.51 0.00 1.19 -0.54 0.00 0.00 175.26 176.42 1bv8 n PHE 3 N 1.67 0.00 0.00 5.30 3.01 -1.26 -4.98 117.46 121.20 1bv8 n PHE 3 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1bv8 n PHE 3 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1bv8 n PHE 3 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1bv8 n PRO 4 N 0.00 0.00 -4.23 -1.08 -0.04 -1.26 -4.16 135.00 124.22 1bv8 n PRO 4 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1bv8 n PRO 4 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1bv8 n PRO 4 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1bv8 s PHE 5 N 0.00 1.16 -0.05 0.54 -0.12 -1.26 -1.11 117.98 117.14 1bv8 s PHE 5 Ca 0.00 -0.93 -0.17 0.00 -0.05 0.00 0.00 56.93 55.78 1bv8 s PHE 5 Cb 0.00 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.77 1bv8 s PHE 5 CO 0.00 -0.12 0.39 0.00 -0.05 0.00 0.00 175.22 175.44 1bv8 s ALA 6 N -3.56 -0.98 0.08 1.99 0.00 0.60 -4.88 121.76 115.01 1bv8 s ALA 6 Ca 0.19 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1bv8 s ALA 6 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1bv8 s ALA 6 CO 0.01 -0.26 -0.12 -1.17 0.00 0.00 0.00 175.76 174.22 1bv8 s LEU 7 N -0.95 2.33 -0.12 0.00 2.96 -1.26 -1.30 118.68 120.33 1bv8 s LEU 7 Ca -0.10 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1bv8 s LEU 7 Cb -0.04 -0.42 0.05 0.00 0.50 0.00 0.00 46.19 46.27 1bv8 s LEU 7 CO 0.04 -0.15 0.05 -0.83 -1.32 0.00 0.00 176.35 174.14 1bv8 s GLY 8 N -2.03 0.43 -0.06 7.98 0.00 0.81 -4.94 107.32 109.51 1bv8 s GLY 8 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 1bv8 s GLY 8 CO 0.02 1.45 0.08 -1.34 0.00 0.00 0.00 173.10 173.30 1bv8 s VAL 9 N 2.04 -0.13 0.25 1.40 -7.23 -1.26 0.13 120.40 115.61 1bv8 s VAL 9 Ca 0.03 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1bv8 s VAL 9 Cb -0.15 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1bv8 s VAL 9 CO -0.07 0.11 0.32 0.00 -0.31 0.00 0.00 175.10 175.16 1bv8 n GLN 10 N 5.30 0.47 -4.16 4.82 6.02 -0.03 -5.01 117.38 124.79 1bv8 n GLN 10 Ca -0.04 -2.11 -0.13 0.00 -0.01 0.00 0.00 57.00 54.71 1bv8 n GLN 10 Cb 0.50 1.96 -0.08 0.00 1.02 0.00 0.00 30.24 33.64 1bv8 n GLN 10 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1bv8 s THR 11 N -2.76 0.00 -0.45 5.09 -4.23 -1.26 -0.16 115.64 111.86 1bv8 s THR 11 Ca 0.23 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1bv8 s THR 11 Cb -0.00 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.59 1bv8 s THR 11 CO 0.16 0.00 0.45 -0.11 -0.54 0.00 0.00 174.62 174.58 1bv8 n LEU 12 N -0.36 0.39 0.03 4.79 0.00 0.39 -4.86 117.00 117.39 1bv8 n LEU 12 Ca 0.02 -4.65 0.11 0.00 0.00 0.00 0.00 56.01 51.49 1bv8 n LEU 12 Cb 0.64 0.37 0.46 0.00 0.00 0.00 0.00 43.42 44.89 1bv8 n LEU 12 CO 0.31 1.94 0.85 -0.81 0.00 0.00 0.00 177.39 179.68 1bv8 n PRO 13 N 2.08 0.06 0.00 1.96 -0.04 -1.26 -3.41 135.00 134.40 1bv8 n PRO 13 Ca 0.26 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1bv8 n PRO 13 Cb 0.48 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1bv8 n PRO 13 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1bv8 n GLN 14 N -1.71 0.00 0.00 0.54 -0.06 -1.26 -4.50 117.38 110.39 1bv8 n GLN 14 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1bv8 n GLN 14 Cb 0.28 -0.24 0.00 0.00 -4.06 0.00 0.00 30.24 26.21 1bv8 n GLN 14 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1bv8 n THR 15 N 0.00 0.00 -3.41 1.69 5.66 -1.26 -5.00 114.28 111.96 1bv8 n THR 15 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1bv8 n THR 15 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1bv8 n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bv8 n ASP 17 N 2.44 0.00 -4.49 0.00 2.03 -1.26 -5.13 116.55 110.15 1bv8 n ASP 17 Ca 0.24 -0.16 -0.24 0.00 0.52 0.00 0.00 54.79 55.15 1bv8 n ASP 17 Cb 0.38 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.68 1bv8 n ASP 17 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1bv8 s GLU 18 N 0.00 1.71 -0.01 -0.67 2.02 -1.26 -5.03 118.70 115.47 1bv8 s GLU 18 Ca 0.00 -1.83 -0.21 0.00 0.02 0.00 0.00 54.97 52.96 1bv8 s GLU 18 Cb 0.00 -1.69 -0.23 0.00 0.10 0.00 0.00 34.13 32.30 1bv8 s GLU 18 CO 0.00 0.24 1.08 -1.00 0.02 0.00 0.00 175.26 175.61 1bv8 h PRO 19 N 2.19 0.37 -0.20 0.39 0.13 -1.99 -3.01 132.00 129.88 1bv8 h PRO 19 Ca -0.41 -0.39 0.06 0.00 -0.87 0.00 0.00 66.00 64.39 1bv8 h PRO 19 Cb 1.25 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1bv8 h PRO 19 CO 0.64 1.07 0.29 1.57 -0.23 0.00 0.00 178.00 181.34 1bv8 h LYS 20 N -0.18 0.00 0.43 0.86 2.10 -1.95 0.89 116.57 118.72 1bv8 h LYS 20 Ca -0.07 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1bv8 h LYS 20 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1bv8 h LYS 20 CO 0.11 0.00 -0.21 0.00 -2.00 0.00 0.00 179.45 177.35 1bv8 h ALA 21 N 1.61 -0.58 -0.50 0.07 0.00 -1.73 -2.03 119.26 116.10 1bv8 h ALA 21 Ca 0.09 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1bv8 h ALA 21 Cb 0.67 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1bv8 h ALA 21 CO -0.00 -0.64 -0.12 0.45 0.00 0.00 0.00 179.25 178.94 1bv8 h HIS 22 N -0.95 1.05 -0.39 0.00 3.86 -0.86 -3.06 115.15 114.79 1bv8 h HIS 22 Ca -0.06 -0.21 0.08 0.00 -1.16 0.00 0.00 60.37 59.02 1bv8 h HIS 22 Cb 0.57 -0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.69 1bv8 h HIS 22 CO 0.02 1.00 -0.20 1.15 0.86 0.00 0.00 177.93 180.76 1bv8 h THR 23 N 0.84 0.42 -3.91 2.45 2.02 0.71 -3.39 112.91 112.05 1bv8 h THR 23 Ca 0.13 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.04 1bv8 h THR 23 Cb 0.66 0.42 -0.25 0.00 -1.74 0.00 0.00 68.15 67.25 1bv8 h THR 23 CO 0.05 0.00 -0.73 -0.94 0.37 0.00 0.00 175.52 174.26 1bv8 s SER 24 N -5.13 0.55 0.28 4.18 1.04 -0.77 -3.05 113.70 110.79 1bv8 s SER 24 Ca -0.14 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1bv8 s SER 24 Cb 0.14 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1bv8 s SER 24 CO 0.70 -0.10 0.14 -0.36 0.98 0.00 0.00 173.24 174.59 1bv8 s PHE 25 N -0.77 1.53 0.05 5.02 0.08 0.12 -4.36 117.98 119.64 1bv8 s PHE 25 Ca -0.05 -1.31 0.04 0.00 0.12 0.00 0.00 56.93 55.72 1bv8 s PHE 25 Cb -0.06 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1bv8 s PHE 25 CO -0.00 -0.48 -0.12 -1.14 -0.10 0.00 0.00 175.22 173.38 1bv8 s GLN 26 N -3.93 0.75 0.11 0.44 0.74 -1.22 -0.90 119.66 115.65 1bv8 s GLN 26 Ca 0.37 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 55.03 1bv8 s GLN 26 Cb 0.06 -0.69 -0.04 0.00 1.10 0.00 0.00 33.01 33.44 1bv8 s GLN 26 CO 0.16 0.16 -0.16 0.42 -0.55 0.00 0.00 175.29 175.32 1bv8 s ILE 27 N -1.13 1.38 -0.03 -2.34 1.01 0.69 -0.46 121.20 120.32 1bv8 s ILE 27 Ca -0.03 -1.61 0.02 0.00 0.00 0.00 0.00 60.65 59.03 1bv8 s ILE 27 Cb -0.09 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1bv8 s ILE 27 CO 0.01 -0.30 -0.09 -0.55 0.00 0.00 0.00 174.94 174.01 1bv8 s SER 28 N -2.21 1.24 0.02 3.58 0.15 0.77 -0.11 113.70 117.13 1bv8 s SER 28 Ca 0.06 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1bv8 s SER 28 Cb -0.07 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 1bv8 s SER 28 CO 0.03 0.05 -0.13 -0.76 1.20 0.00 0.00 173.24 173.64 1bv8 s LEU 29 N 0.28 2.11 -0.07 3.45 2.01 -0.30 -0.85 118.68 125.33 1bv8 s LEU 29 Ca -0.05 -0.36 -0.16 0.00 0.01 0.00 0.00 54.13 53.58 1bv8 s LEU 29 Cb -0.10 -0.57 0.03 0.00 0.01 0.00 0.00 46.19 45.57 1bv8 s LEU 29 CO 0.01 0.06 0.37 -0.55 1.01 0.00 0.00 176.35 177.25 1bv8 s SER 30 N -0.80 -0.31 -0.04 2.29 0.15 0.35 0.16 113.70 115.50 1bv8 s SER 30 Ca 0.02 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.09 1bv8 s SER 30 Cb -0.07 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1bv8 s SER 30 CO 0.00 -0.34 -0.10 0.54 1.20 0.00 0.00 173.24 174.54 1bv8 s VAL 31 N -0.74 0.93 -0.25 4.45 0.11 0.06 -0.13 120.40 124.83 1bv8 s VAL 31 Ca -0.08 -0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1bv8 s VAL 31 Cb -0.04 -0.84 0.11 0.00 -1.53 0.00 0.00 36.38 34.07 1bv8 s VAL 31 CO 0.03 0.29 0.21 -0.55 -3.33 0.00 0.00 175.10 171.76 1bv8 s SER 32 N 0.42 2.04 0.02 3.54 0.15 -0.42 -1.83 113.70 117.63 1bv8 s SER 32 Ca -0.08 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 55.94 1bv8 s SER 32 Cb -0.12 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.38 1bv8 s SER 32 CO 0.02 -0.37 -0.11 -0.47 1.20 0.00 0.00 173.24 173.50 1bv8 s TYR 33 N 2.27 0.97 0.04 3.44 6.14 -1.26 0.22 117.35 129.18 1bv8 s TYR 33 Ca 0.08 -0.31 0.02 0.00 0.64 0.00 0.00 57.07 57.50 1bv8 s TYR 33 Cb -0.15 -0.59 -0.03 0.00 0.42 0.00 0.00 41.96 41.61 1bv8 s TYR 33 CO -0.24 -0.00 -0.07 0.99 0.64 0.00 0.00 175.55 176.87 1bv8 s THR 34 N -0.71 0.47 0.00 4.34 2.01 -0.27 -4.97 115.64 116.50 1bv8 s THR 34 Ca 0.00 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1bv8 s THR 34 Cb -0.07 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1bv8 s THR 34 CO 0.01 -0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 1bv8 n GLY 35 N 1.30 3.87 1.16 4.40 0.00 -1.26 -4.49 105.19 110.18 1bv8 n GLY 35 Ca -0.22 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.39 1bv8 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bv8 n SER 36 N 0.00 0.94 -4.64 1.61 2.88 -1.26 -4.95 113.62 108.21 1bv8 n SER 36 Ca 0.00 -2.26 -0.34 0.00 -1.33 0.00 0.00 58.87 54.95 1bv8 n SER 36 Cb 0.00 -0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.05 1bv8 n SER 36 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1bv8 s ARG 37 N -0.47 2.80 0.00 -1.46 3.52 -1.26 -4.90 118.95 117.18 1bv8 s ARG 37 Ca 0.28 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1bv8 s ARG 37 Cb 0.31 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1bv8 s ARG 37 CO -0.12 0.66 0.27 0.45 -0.81 0.00 0.00 175.30 175.75 1bv8 n SER 38 N 1.92 0.00 -4.14 -2.12 2.88 -1.26 -4.75 113.62 106.15 1bv8 n SER 38 Ca -0.17 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 1bv8 n SER 38 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 1bv8 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bv8 s ALA 39 N -1.85 0.91 0.00 -1.46 0.00 -1.26 -4.95 121.76 113.15 1bv8 s ALA 39 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1bv8 s ALA 39 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1bv8 s ALA 39 CO 0.00 -0.10 0.00 0.43 0.00 0.00 0.00 175.76 176.09 1bv8 n SER 40 N 0.63 0.00 -3.79 0.00 7.64 -1.26 -4.93 113.62 111.91 1bv8 n SER 40 Ca -0.17 0.63 -0.09 0.00 1.01 0.00 0.00 58.87 60.25 1bv8 n SER 40 Cb 0.58 -0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1bv8 n SER 40 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bv8 n ASN 41 N 0.85 -0.42 -3.57 6.43 0.23 -1.26 -5.04 115.26 112.48 1bv8 n ASN 41 Ca 0.00 -0.97 -0.05 0.00 -0.53 0.00 0.00 54.58 53.03 1bv8 n ASN 41 Cb 0.00 -0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 37.56 1bv8 n ASN 41 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1bv8 s MET 42 N 3.64 0.45 -0.04 -3.83 0.00 -1.26 -4.52 119.30 113.74 1bv8 s MET 42 Ca 0.14 -0.17 0.01 0.00 0.00 0.00 0.00 55.69 55.68 1bv8 s MET 42 Cb 0.03 0.21 0.02 0.00 0.00 0.00 0.00 34.83 35.08 1bv8 s MET 42 CO 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 175.02 174.83 1bv8 s ALA 43 N -2.61 0.78 -0.08 4.11 0.00 0.55 -4.68 121.76 119.84 1bv8 s ALA 43 Ca 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1bv8 s ALA 43 Cb -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1bv8 s ALA 43 CO -0.06 0.04 -0.08 -1.50 0.00 0.00 0.00 175.76 174.16 1bv8 s ILE 44 N 0.75 0.89 0.06 0.00 -1.16 -1.08 -1.81 121.20 118.85 1bv8 s ILE 44 Ca -0.11 -0.28 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 1bv8 s ILE 44 Cb -0.14 -0.88 -0.03 0.00 0.61 0.00 0.00 42.46 42.02 1bv8 s ILE 44 CO 0.01 0.32 -0.06 0.54 -2.81 0.00 0.00 174.94 172.94 1bv8 s VAL 45 N 1.19 0.46 -0.01 4.00 0.11 -0.62 -0.76 120.40 124.77 1bv8 s VAL 45 Ca -0.06 -1.49 0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1bv8 s VAL 45 Cb -0.14 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1bv8 s VAL 45 CO -0.02 -0.70 -0.01 1.51 -3.33 0.00 0.00 175.10 172.55 1bv8 s ASP 46 N -2.34 0.28 0.03 3.54 -4.77 -0.03 -0.41 116.67 112.97 1bv8 s ASP 46 Ca -0.00 -0.03 0.05 0.00 -3.30 0.00 0.00 52.55 49.27 1bv8 s ASP 46 Cb -0.01 -0.08 -0.02 0.00 -1.09 0.00 0.00 42.92 41.72 1bv8 s ASP 46 CO -0.04 -0.02 -0.14 0.54 0.70 0.00 0.00 175.17 176.22 1bv8 s VAL 47 N 0.32 1.07 -0.20 2.11 0.11 0.05 -0.43 120.40 123.42 1bv8 s VAL 47 Ca -0.03 -0.93 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 1bv8 s VAL 47 Cb -0.05 -0.96 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1bv8 s VAL 47 CO -0.01 0.03 0.10 -0.75 -3.33 0.00 0.00 175.10 171.14 1bv8 s LYS 48 N -1.03 0.09 0.22 1.54 2.20 0.06 -0.84 119.74 121.98 1bv8 s LYS 48 Ca 0.02 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1bv8 s LYS 48 Cb -0.07 -1.66 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 1bv8 s LYS 48 CO 0.01 -0.75 0.00 0.00 -0.36 0.00 0.00 175.35 174.25 1bv8 s MET 49 N 2.13 1.29 0.00 4.03 0.23 -1.26 -0.95 119.30 124.77 1bv8 s MET 49 Ca 0.04 -1.65 0.00 0.00 -1.03 0.00 0.00 55.69 53.05 1bv8 s MET 49 Cb -0.16 -0.51 0.00 0.00 -1.53 0.00 0.00 34.83 32.63 1bv8 s MET 49 CO -0.15 -0.12 0.00 1.33 -2.03 0.00 0.00 175.02 174.05 1bv8 n VAL 50 N -0.38 0.00 -0.17 5.16 0.24 -1.26 -4.55 118.33 117.37 1bv8 n VAL 50 Ca -0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 1bv8 n VAL 50 Cb 0.64 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1bv8 n VAL 50 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1bv8 n SER 51 N 0.00 0.24 -1.73 -1.34 3.41 -1.26 -3.74 113.62 109.20 1bv8 n SER 51 Ca 0.00 -2.04 0.02 0.00 -0.26 0.00 0.00 58.87 56.60 1bv8 n SER 51 Cb 0.00 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1bv8 n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bv8 n GLY 52 N 4.18 1.12 0.87 5.00 0.00 -1.26 -5.02 105.19 110.09 1bv8 n GLY 52 Ca 0.12 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1bv8 n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bv8 n PHE 53 N 0.21 0.01 -3.66 1.61 3.01 -1.25 -4.87 117.46 112.53 1bv8 n PHE 53 Ca 0.03 -0.69 -0.30 0.00 1.01 0.00 0.00 57.45 57.50 1bv8 n PHE 53 Cb 1.04 0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 40.38 1bv8 n PHE 53 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1bv8 s ILE 54 N -1.98 0.85 1.05 4.37 1.09 0.44 -4.92 121.20 122.10 1bv8 s ILE 54 Ca 0.06 -1.79 -0.17 0.00 -1.10 0.00 0.00 60.65 57.65 1bv8 s ILE 54 Cb 0.00 -1.62 0.23 0.00 -1.06 0.00 0.00 42.46 40.01 1bv8 s ILE 54 CO 0.04 -0.81 1.20 -2.16 -0.10 0.00 0.00 174.94 173.12 1bv8 s PRO 55 N 1.13 -0.05 -0.20 2.79 0.04 -1.26 -0.66 135.00 136.80 1bv8 s PRO 55 Ca 0.14 -0.16 -0.07 0.00 0.04 0.00 0.00 61.00 60.95 1bv8 s PRO 55 Cb -0.21 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1bv8 s PRO 55 CO -0.13 -2.92 0.07 -0.51 0.04 0.00 0.00 177.00 173.55 1bv8 s LEU 56 N -6.35 3.75 0.13 -3.56 1.02 -1.25 -4.79 118.68 107.64 1bv8 s LEU 56 Ca 0.71 0.03 -0.10 0.00 0.02 0.00 0.00 54.13 54.78 1bv8 s LEU 56 Cb -0.08 -1.96 -0.08 0.00 0.02 0.00 0.00 46.19 44.09 1bv8 s LEU 56 CO 0.54 0.13 1.38 0.50 0.02 0.00 0.00 176.35 178.93 1bv8 h LYS 57 N 7.01 0.78 -0.04 1.70 3.64 -1.95 -3.13 116.57 124.59 1bv8 h LYS 57 Ca -0.37 -0.56 -0.24 0.00 -1.27 0.00 0.00 60.65 58.21 1bv8 h LYS 57 Cb 1.17 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1bv8 h LYS 57 CO 0.67 1.18 -0.95 -1.00 -2.27 0.00 0.00 179.45 177.08 1bv8 h PRO 58 N 0.57 0.64 -0.56 1.90 0.13 -1.99 -3.16 132.00 129.54 1bv8 h PRO 58 Ca -0.01 -0.64 0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1bv8 h PRO 58 Cb 1.26 0.17 -0.11 0.00 0.13 0.00 0.00 31.00 32.45 1bv8 h PRO 58 CO 0.14 1.24 -0.23 0.00 -0.23 0.00 0.00 178.00 178.92 1bv8 h THR 59 N 0.38 0.30 -0.45 1.56 1.03 -1.96 0.87 112.91 114.64 1bv8 h THR 59 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1bv8 h THR 59 Cb 1.59 0.30 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 1bv8 h THR 59 CO 0.18 0.00 0.30 -0.37 -0.01 0.00 0.00 175.52 175.62 1bv8 h VAL 60 N -0.09 1.12 -0.51 0.00 -1.51 -1.60 0.20 116.25 113.85 1bv8 h VAL 60 Ca 0.25 -0.21 0.07 0.00 -1.23 0.00 0.00 66.70 65.59 1bv8 h VAL 60 Cb 0.49 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 1bv8 h VAL 60 CO -0.62 0.11 0.34 0.50 -1.23 0.00 0.00 177.57 176.67 1bv8 h LYS 61 N 0.61 0.39 -0.55 5.19 3.64 0.74 0.14 116.57 126.73 1bv8 h LYS 61 Ca 0.17 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 1bv8 h LYS 61 Cb -0.07 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1bv8 h LYS 61 CO -0.04 0.25 0.38 1.98 -2.27 0.00 0.00 179.45 179.76 1bv8 h MET 62 N 0.40 0.10 -0.40 1.90 4.05 0.66 0.31 114.93 121.94 1bv8 h MET 62 Ca 0.23 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1bv8 h MET 62 Cb 0.38 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1bv8 h MET 62 CO -0.06 0.07 -0.06 -0.07 0.23 0.00 0.00 176.91 177.02 1bv8 h LEU 63 N 0.10 0.65 -0.98 3.39 4.07 -0.78 -1.23 115.31 120.54 1bv8 h LEU 63 Ca 0.26 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 1bv8 h LEU 63 Cb 0.89 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1bv8 h LEU 63 CO -0.03 0.76 -0.43 -0.08 -1.08 0.00 0.00 178.44 177.58 1bv8 h GLU 64 N 0.62 0.00 0.00 1.13 4.81 -0.45 -1.94 114.58 118.75 1bv8 h GLU 64 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1bv8 h GLU 64 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1bv8 h GLU 64 CO 0.02 0.43 0.00 -0.09 -0.73 0.00 0.00 179.01 178.65 1bv8 h ARG 65 N 0.00 0.00 -0.97 1.92 2.43 -0.39 -2.60 114.38 114.77 1bv8 h ARG 65 Ca -0.00 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.38 1bv8 h ARG 65 Cb 0.90 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 1bv8 h ARG 65 CO 0.06 0.00 0.62 0.77 -1.51 0.00 0.00 179.97 179.91 1bv8 h SER 66 N 0.00 0.52 0.00 -3.80 0.02 -1.16 -3.35 113.55 105.79 1bv8 h SER 66 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1bv8 h SER 66 Cb 0.33 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1bv8 h SER 66 CO 0.00 0.18 0.00 -3.20 -1.14 0.00 0.00 176.83 172.67 1bv8 n ASN 67 N -4.60 0.00 -1.67 3.07 2.85 -1.25 -4.62 115.26 109.04 1bv8 n ASN 67 Ca 0.22 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.52 1bv8 n ASN 67 Cb 0.71 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.70 1bv8 n ASN 67 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1bv8 n HIS 68 N 0.00 -0.52 -4.03 1.20 8.25 -0.98 -4.92 115.22 114.22 1bv8 n HIS 68 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1bv8 n HIS 68 Cb 0.00 -3.17 -0.03 0.00 1.12 0.00 0.00 29.99 27.91 1bv8 n HIS 68 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1bv8 n VAL 69 N -3.52 0.00 -2.91 1.59 3.14 -1.22 -4.96 118.33 110.44 1bv8 n VAL 69 Ca -0.18 -1.25 -0.02 0.00 -2.96 0.00 0.00 64.34 59.92 1bv8 n VAL 69 Cb 0.61 0.68 -0.01 0.00 -1.06 0.00 0.00 33.84 34.06 1bv8 n VAL 69 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1bv8 n SER 70 N -2.06 -5.37 -4.45 6.55 2.88 -1.26 -4.46 113.62 105.46 1bv8 n SER 70 Ca 0.03 1.04 -0.33 0.00 -1.33 0.00 0.00 58.87 58.28 1bv8 n SER 70 Cb 0.35 -3.17 -0.14 0.00 -0.75 0.00 0.00 64.21 60.51 1bv8 n SER 70 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1bv8 s ARG 71 N -0.61 2.62 0.16 -1.46 3.00 0.68 -4.15 118.95 119.18 1bv8 s ARG 71 Ca -0.09 -0.71 0.04 0.00 0.00 0.00 0.00 55.73 54.97 1bv8 s ARG 71 Cb 0.01 -2.39 -0.05 0.00 0.00 0.00 0.00 34.95 32.52 1bv8 s ARG 71 CO 0.34 0.55 -0.07 0.95 0.00 0.00 0.00 175.30 177.07 1bv8 s THR 72 N -0.54 1.04 0.05 0.02 -4.23 -1.26 0.47 115.64 111.19 1bv8 s THR 72 Ca 0.07 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1bv8 s THR 72 Cb -0.12 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 1bv8 s THR 72 CO 0.01 -0.66 -0.07 -0.70 -0.54 0.00 0.00 174.62 172.66 1bv8 s GLU 73 N -3.79 0.55 -0.11 3.99 2.12 -0.11 -4.83 118.70 116.51 1bv8 s GLU 73 Ca 0.19 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.69 1bv8 s GLU 73 Cb 0.04 -0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.22 1bv8 s GLU 73 CO 0.02 0.03 -0.04 0.54 -0.54 0.00 0.00 175.26 175.26 1bv8 s VAL 74 N -1.70 0.81 -0.41 3.70 0.11 -1.26 0.89 120.40 122.53 1bv8 s VAL 74 Ca -0.08 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1bv8 s VAL 74 Cb -0.08 -0.91 0.48 0.00 -1.53 0.00 0.00 36.38 34.34 1bv8 s VAL 74 CO -0.01 0.28 1.83 -1.20 -3.33 0.00 0.00 175.10 172.67 1bv8 n SER 75 N 5.01 4.70 0.00 3.54 7.64 0.12 -4.88 113.62 129.75 1bv8 n SER 75 Ca -0.11 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1bv8 n SER 75 Cb 0.50 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1bv8 n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bv8 n SER 76 N -0.71 0.00 -0.07 6.43 7.64 -1.26 -4.02 113.62 121.63 1bv8 n SER 76 Ca 0.49 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.31 1bv8 n SER 76 Cb 1.20 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.38 1bv8 n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bv8 n ASN 77 N 1.33 1.82 -4.83 6.43 3.02 -1.26 -4.63 115.26 117.13 1bv8 n ASN 77 Ca 0.00 0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 54.95 1bv8 n ASN 77 Cb 0.00 -0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 38.25 1bv8 n ASN 77 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1bv8 s HIS 78 N -2.27 2.76 0.07 3.10 -3.43 -1.26 -4.32 115.29 109.94 1bv8 s HIS 78 Ca -0.16 -0.43 0.04 0.00 -0.80 0.00 0.00 55.06 53.72 1bv8 s HIS 78 Cb 0.02 -1.95 -0.03 0.00 -1.43 0.00 0.00 32.58 29.19 1bv8 s HIS 78 CO 0.25 0.08 -0.13 0.08 -2.00 0.00 0.00 174.74 173.02 1bv8 s VAL 79 N -2.43 0.99 0.13 -5.38 1.01 -0.02 0.16 120.40 114.87 1bv8 s VAL 79 Ca 0.44 -1.30 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1bv8 s VAL 79 Cb -0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1bv8 s VAL 79 CO 0.26 -0.29 -0.14 -0.76 0.00 0.00 0.00 175.10 174.17 1bv8 s LEU 80 N -1.78 2.41 -0.04 3.92 2.01 0.26 -0.77 118.68 124.69 1bv8 s LEU 80 Ca -0.03 -0.83 0.02 0.00 0.01 0.00 0.00 54.13 53.31 1bv8 s LEU 80 Cb -0.09 -0.58 0.01 0.00 0.01 0.00 0.00 46.19 45.54 1bv8 s LEU 80 CO 0.02 -0.14 -0.09 -0.63 1.01 0.00 0.00 176.35 176.52 1bv8 s ILE 81 N -2.18 0.84 -0.16 -0.59 1.09 0.45 -0.94 121.20 119.71 1bv8 s ILE 81 Ca 0.10 -0.36 -0.04 0.00 -1.10 0.00 0.00 60.65 59.25 1bv8 s ILE 81 Cb -0.05 -0.76 0.08 0.00 -1.06 0.00 0.00 42.46 40.67 1bv8 s ILE 81 CO 0.03 0.27 0.23 -0.47 -0.10 0.00 0.00 174.94 174.90 1bv8 s TYR 82 N 0.41 -0.33 0.04 3.97 5.04 0.18 -1.59 117.35 125.07 1bv8 s TYR 82 Ca -0.07 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1bv8 s TYR 82 Cb -0.11 -0.23 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 1bv8 s TYR 82 CO 0.01 -0.47 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.55 1bv8 s LEU 83 N 2.36 2.41 -0.10 6.97 0.20 -0.75 -0.23 118.68 129.54 1bv8 s LEU 83 Ca 0.05 -0.84 -0.03 0.00 0.69 0.00 0.00 54.13 54.00 1bv8 s LEU 83 Cb -0.14 0.14 0.04 0.00 -0.43 0.00 0.00 46.19 45.81 1bv8 s LEU 83 CO -0.10 -0.49 0.05 1.51 -0.29 0.00 0.00 176.35 177.02 1bv8 s ASP 84 N -2.47 1.79 0.00 3.68 1.47 -1.26 -0.33 116.67 119.55 1bv8 s ASP 84 Ca 0.00 -0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.48 1bv8 s ASP 84 Cb 0.02 -0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.29 1bv8 s ASP 84 CO -0.07 -0.26 0.00 1.17 0.68 0.00 0.00 175.17 176.69 1bv8 n LYS 85 N 5.22 0.00 -3.07 2.11 4.81 -1.26 -4.91 118.16 121.06 1bv8 n LYS 85 Ca -0.06 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.93 1bv8 n LYS 85 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 1bv8 n LYS 85 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1bv8 s VAL 86 N 0.00 5.04 -0.33 3.15 1.01 -1.26 -4.76 120.40 123.24 1bv8 s VAL 86 Ca 0.00 -1.86 0.09 0.00 0.00 0.00 0.00 61.98 60.21 1bv8 s VAL 86 Cb 0.00 -4.66 0.45 0.00 0.00 0.00 0.00 36.38 32.17 1bv8 s VAL 86 CO 0.00 -1.33 1.14 -1.20 0.00 0.00 0.00 175.10 173.71 1bv8 n SER 87 N 5.66 4.16 0.00 3.32 7.64 -1.26 -4.41 113.62 128.73 1bv8 n SER 87 Ca 0.19 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1bv8 n SER 87 Cb 0.48 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1bv8 n SER 87 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bv8 n ASN 88 N -0.58 0.00 -3.75 6.43 5.15 -1.26 -4.99 115.26 116.26 1bv8 n ASN 88 Ca 0.35 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.23 1bv8 n ASN 88 Cb 0.85 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 40.06 1bv8 n ASN 88 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1bv8 s GLN 89 N 0.00 1.36 0.82 1.20 -0.21 -1.26 -5.11 119.66 116.46 1bv8 s GLN 89 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.38 1bv8 s GLN 89 Cb 0.00 0.51 0.08 0.00 1.00 0.00 0.00 33.01 34.60 1bv8 s GLN 89 CO 0.00 -0.57 1.16 -0.08 -2.12 0.00 0.00 175.29 173.68 1bv8 s THR 90 N -3.88 2.19 0.05 -0.19 -1.32 -1.26 -4.87 115.64 106.36 1bv8 s THR 90 Ca 0.10 0.06 -0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1bv8 s THR 90 Cb -0.01 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 1bv8 s THR 90 CO -0.03 -0.08 -0.04 -1.48 -2.21 0.00 0.00 174.62 170.79 1bv8 s LEU 91 N -5.65 2.47 0.16 9.08 -0.00 -0.76 -5.01 118.68 118.96 1bv8 s LEU 91 Ca 0.62 -0.95 -0.10 0.00 -0.00 0.00 0.00 54.13 53.70 1bv8 s LEU 91 Cb -0.12 0.15 -0.00 0.00 -0.00 0.00 0.00 46.19 46.21 1bv8 s LEU 91 CO 0.50 -0.55 0.29 -0.94 -0.00 0.00 0.00 176.35 175.65 1bv8 s SER 92 N -2.79 0.03 0.22 1.48 1.04 -1.26 -0.76 113.70 111.65 1bv8 s SER 92 Ca 0.05 -0.82 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 1bv8 s SER 92 Cb 0.06 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 1bv8 s SER 92 CO -0.08 -0.89 0.38 -1.48 0.98 0.00 0.00 173.24 172.15 1bv8 s LEU 93 N -2.95 0.58 0.02 2.42 2.34 0.42 -4.94 118.68 116.57 1bv8 s LEU 93 Ca 0.15 -0.97 0.00 0.00 0.06 0.00 0.00 54.13 53.37 1bv8 s LEU 93 Cb 0.03 1.43 -0.01 0.00 -0.56 0.00 0.00 46.19 47.08 1bv8 s LEU 93 CO -0.01 -1.03 -0.03 -0.36 -1.06 0.00 0.00 176.35 173.85 1bv8 s PHE 94 N -4.02 0.24 0.30 3.48 0.08 -1.26 -1.15 117.98 115.64 1bv8 s PHE 94 Ca 0.23 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.91 1bv8 s PHE 94 Cb 0.01 -0.17 -0.02 0.00 -0.57 0.00 0.00 43.02 42.28 1bv8 s PHE 94 CO 0.07 -0.13 0.32 -0.06 -0.10 0.00 0.00 175.22 175.33 1bv8 s PHE 95 N -1.04 1.29 0.03 0.36 0.40 0.84 -4.92 117.98 114.94 1bv8 s PHE 95 Ca -0.11 -1.41 0.01 0.00 -0.60 0.00 0.00 56.93 54.82 1bv8 s PHE 95 Cb -0.07 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 1bv8 s PHE 95 CO -0.01 -0.91 -0.05 -0.08 0.70 0.00 0.00 175.22 174.88 1bv8 s THR 96 N -3.54 0.29 0.04 0.64 -1.32 -1.26 -0.22 115.64 110.27 1bv8 s THR 96 Ca 0.36 -1.04 -0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1bv8 s THR 96 Cb 0.02 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.50 1bv8 s THR 96 CO 0.20 -0.49 -0.04 0.68 -2.21 0.00 0.00 174.62 172.76 1bv8 s VAL 97 N -1.61 0.24 0.22 5.08 -7.23 -0.08 -3.75 120.40 113.27 1bv8 s VAL 97 Ca -0.12 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1bv8 s VAL 97 Cb -0.09 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 1bv8 s VAL 97 CO -0.01 -0.72 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.27 1bv8 s LEU 98 N -2.19 2.29 0.07 1.32 1.02 0.17 0.14 118.68 121.49 1bv8 s LEU 98 Ca -0.04 -1.17 0.05 0.00 0.02 0.00 0.00 54.13 52.99 1bv8 s LEU 98 Cb -0.01 -0.33 -0.03 0.00 0.02 0.00 0.00 46.19 45.83 1bv8 s LEU 98 CO -0.05 -0.45 -0.15 -1.58 0.02 0.00 0.00 176.35 174.14 1bv8 s GLN 99 N -3.82 0.89 0.25 1.70 0.74 -1.17 0.17 119.66 118.41 1bv8 s GLN 99 Ca 0.26 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1bv8 s GLN 99 Cb 0.05 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 33.23 1bv8 s GLN 99 CO 0.07 0.21 0.00 -3.47 -0.55 0.00 0.00 175.29 171.56 1bv8 n ASP 100 N 1.43 -1.41 -4.64 6.67 2.03 -1.26 -4.84 116.55 114.53 1bv8 n ASP 100 Ca -0.20 0.46 -0.35 0.00 0.52 0.00 0.00 54.79 55.22 1bv8 n ASP 100 Cb 0.54 1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 42.32 1bv8 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bv8 s VAL 101 N -1.63 4.96 0.48 5.18 0.11 -1.26 -4.93 120.40 123.31 1bv8 s VAL 101 Ca 0.00 0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.89 1bv8 s VAL 101 Cb 0.00 -3.27 -0.09 0.00 -1.53 0.00 0.00 36.38 31.50 1bv8 s VAL 101 CO 0.00 0.42 0.99 -2.16 -3.33 0.00 0.00 175.10 171.02 1bv8 s PRO 102 N 0.63 3.97 0.34 1.54 0.04 -1.26 -4.99 135.00 135.28 1bv8 s PRO 102 Ca 0.05 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1bv8 s PRO 102 Cb -0.13 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 1bv8 s PRO 102 CO 0.01 -0.26 0.43 1.55 0.04 0.00 0.00 177.00 178.77 1bv8 n VAL 103 N -1.14 0.00 -3.87 -0.36 3.14 -1.26 -5.04 118.33 109.79 1bv8 n VAL 103 Ca 0.07 -1.91 -0.29 0.00 -2.96 0.00 0.00 64.34 59.25 1bv8 n VAL 103 Cb 0.54 1.10 -0.13 0.00 -1.06 0.00 0.00 33.84 34.29 1bv8 n VAL 103 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1bv8 s ARG 104 N -2.92 1.89 -0.27 1.45 0.52 -1.26 -4.99 118.95 113.37 1bv8 s ARG 104 Ca 0.31 -2.61 -0.08 0.00 -0.52 0.00 0.00 55.73 52.83 1bv8 s ARG 104 Cb -0.00 -3.08 0.13 0.00 0.52 0.00 0.00 34.95 32.52 1bv8 s ARG 104 CO 0.22 -1.16 0.58 -0.51 0.02 0.00 0.00 175.30 174.45 1bv8 s ASP 105 N -0.36 -0.91 -0.20 0.23 1.11 -1.26 -5.07 116.67 110.22 1bv8 s ASP 105 Ca 0.19 1.30 -0.02 0.00 0.18 0.00 0.00 52.55 54.21 1bv8 s ASP 105 Cb -0.21 2.02 0.00 0.00 1.07 0.00 0.00 42.92 45.80 1bv8 s ASP 105 CO -0.03 -0.23 -0.11 -0.76 1.18 0.00 0.00 175.17 175.22 1bv8 s LEU 106 N 2.81 2.60 0.16 1.23 1.02 -1.26 -4.99 118.68 120.26 1bv8 s LEU 106 Ca -0.01 -0.48 -0.23 0.00 0.02 0.00 0.00 54.13 53.43 1bv8 s LEU 106 Cb -0.12 -1.63 0.07 0.00 0.02 0.00 0.00 46.19 44.52 1bv8 s LEU 106 CO -0.18 0.01 0.62 -0.54 0.02 0.00 0.00 176.35 176.29 1bv8 s LYS 107 N 1.28 1.31 0.84 1.70 3.01 -1.26 -5.15 119.74 121.46 1bv8 s LYS 107 Ca 0.03 -0.51 -0.14 0.00 -1.01 0.00 0.00 55.97 54.34 1bv8 s LYS 107 Cb -0.14 0.58 0.20 0.00 -1.01 0.00 0.00 37.83 37.46 1bv8 s LYS 107 CO -0.05 -0.58 0.92 -0.35 0.51 0.00 0.00 175.35 175.80 1bv8 n PRO 108 N -0.38 -1.82 -4.18 -1.68 -0.04 -1.26 -4.63 135.00 121.02 1bv8 n PRO 108 Ca -0.15 -1.44 -0.13 0.00 -0.04 0.00 0.00 63.50 61.73 1bv8 n PRO 108 Cb 0.64 -1.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.86 1bv8 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bv8 s ALA 109 N -3.49 1.09 0.07 0.55 0.00 0.72 -4.55 121.76 116.14 1bv8 s ALA 109 Ca 0.55 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1bv8 s ALA 109 Cb -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1bv8 s ALA 109 CO 0.41 -0.08 -0.06 -1.50 0.00 0.00 0.00 175.76 174.52 1bv8 s ILE 110 N -2.71 0.56 -0.01 0.00 1.10 -0.12 -1.18 121.20 118.84 1bv8 s ILE 110 Ca 0.07 -1.68 -0.07 0.00 -0.51 0.00 0.00 60.65 58.47 1bv8 s ILE 110 Cb -0.01 -1.35 0.00 0.00 0.15 0.00 0.00 42.46 41.25 1bv8 s ILE 110 CO -0.01 -0.77 0.13 -0.69 -2.11 0.00 0.00 174.94 171.50 1bv8 s VAL 111 N -3.07 0.07 0.01 4.00 1.01 0.39 -0.76 120.40 122.05 1bv8 s VAL 111 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1bv8 s VAL 111 Cb 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1bv8 s VAL 111 CO -0.04 -0.31 0.00 -0.54 0.00 0.00 0.00 175.10 174.21 1bv8 s LYS 112 N -1.10 0.29 -0.02 2.72 1.02 0.43 -0.97 119.74 122.10 1bv8 s LYS 112 Ca -0.12 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.41 1bv8 s LYS 112 Cb -0.06 0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.37 1bv8 s LYS 112 CO 0.01 -0.05 -0.02 0.54 -0.92 0.00 0.00 175.35 174.91 1bv8 s VAL 113 N -1.20 0.26 0.26 3.17 0.11 0.17 -0.85 120.40 122.31 1bv8 s VAL 113 Ca -0.13 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 1bv8 s VAL 113 Cb -0.08 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1bv8 s VAL 113 CO -0.00 0.14 0.11 -0.47 -3.33 0.00 0.00 175.10 171.54 1bv8 s TYR 114 N 0.67 1.52 0.00 1.54 5.04 0.06 -1.18 117.35 125.01 1bv8 s TYR 114 Ca -0.07 -1.22 0.00 0.00 -2.44 0.00 0.00 57.07 53.34 1bv8 s TYR 114 Cb -0.10 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 41.34 1bv8 s TYR 114 CO -0.01 -0.38 0.00 -3.47 -1.34 0.00 0.00 175.55 170.35 1bv8 n ASP 115 N -0.51 0.00 0.00 4.32 2.03 -1.26 -2.62 116.55 118.51 1bv8 n ASP 115 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1bv8 n ASP 115 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1bv8 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bv8 n TYR 116 N 0.00 0.00 -4.91 -0.67 9.36 -1.26 -4.84 117.16 114.83 1bv8 n TYR 116 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1bv8 n TYR 116 Cb 0.01 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 1bv8 n TYR 116 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1bv8 n TYR 117 N -1.63 -1.36 0.00 2.98 4.19 -1.26 -4.86 117.16 115.22 1bv8 n TYR 117 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1bv8 n TYR 117 Cb 0.00 0.22 0.00 0.00 0.49 0.00 0.00 39.34 40.05 1bv8 n TYR 117 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1bv8 n GLU 118 N -0.83 0.00 -2.43 2.98 -0.58 -1.26 -4.77 120.64 113.76 1bv8 n GLU 118 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1bv8 n GLU 118 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1bv8 n GLU 118 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1bv8 s THR 119 N 0.00 3.84 0.00 2.62 2.01 -1.26 -4.57 115.64 118.28 1bv8 s THR 119 Ca 0.00 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1bv8 s THR 119 Cb 0.00 -4.85 0.00 0.00 0.01 0.00 0.00 72.50 67.66 1bv8 s THR 119 CO 0.00 -1.70 0.00 0.47 -0.69 0.00 0.00 174.62 172.70 1bv8 n ASP 120 N 10.17 -1.16 -2.80 3.53 9.92 -1.26 -4.89 116.55 130.06 1bv8 n ASP 120 Ca 0.38 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.67 1bv8 n ASP 120 Cb 0.49 -0.58 0.01 0.00 -0.64 0.00 0.00 41.12 40.40 1bv8 n ASP 120 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1bv8 s GLU 121 N -1.04 0.02 0.08 -1.24 8.01 -1.26 -5.09 118.70 118.18 1bv8 s GLU 121 Ca 0.00 -0.00 -0.26 0.00 0.01 0.00 0.00 54.97 54.72 1bv8 s GLU 121 Cb 0.00 0.00 0.09 0.00 -4.31 0.00 0.00 34.13 29.91 1bv8 s GLU 121 CO 0.00 -0.03 1.14 -0.59 0.01 0.00 0.00 175.26 175.79 1bv8 s PHE 122 N 2.28 -0.01 0.08 1.61 -0.12 -1.26 -4.60 117.98 115.96 1bv8 s PHE 122 Ca 0.20 -0.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.90 1bv8 s PHE 122 Cb 0.04 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1bv8 s PHE 122 CO -0.18 -0.60 -0.16 0.00 -0.05 0.00 0.00 175.22 174.23 1bv8 s ALA 123 N -2.44 1.34 -0.01 1.99 0.00 -0.32 -4.73 121.76 117.60 1bv8 s ALA 123 Ca 0.19 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1bv8 s ALA 123 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1bv8 s ALA 123 CO 0.01 0.20 0.03 -1.50 0.00 0.00 0.00 175.76 174.50 1bv8 s ILE 124 N -1.31 0.02 0.27 0.00 2.07 -1.26 0.44 121.20 121.42 1bv8 s ILE 124 Ca 0.01 -0.15 0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1bv8 s ILE 124 Cb -0.10 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.36 1bv8 s ILE 124 CO 0.03 -0.08 0.19 0.00 -1.91 0.00 0.00 174.94 173.16 1bv8 s ALA 125 N -0.24 1.64 0.11 1.50 0.00 -0.15 -4.99 121.76 119.63 1bv8 s ALA 125 Ca -0.03 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.14 1bv8 s ALA 125 Cb -0.02 1.34 -0.04 0.00 0.00 0.00 0.00 23.12 24.41 1bv8 s ALA 125 CO -0.00 -0.59 -0.12 -2.00 0.00 0.00 0.00 175.76 173.06 1bv8 s GLU 126 N -3.82 0.93 0.27 0.00 2.12 -1.26 -0.46 118.70 116.46 1bv8 s GLU 126 Ca 0.39 -1.20 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1bv8 s GLU 126 Cb 0.05 -0.68 -0.02 0.00 0.26 0.00 0.00 34.13 33.73 1bv8 s GLU 126 CO 0.19 0.12 0.28 -0.47 -0.54 0.00 0.00 175.26 174.84 1bv8 s TYR 127 N -2.35 1.17 0.10 5.30 5.04 -0.33 -4.86 117.35 121.43 1bv8 s TYR 127 Ca 0.07 -1.34 -0.10 0.00 -2.44 0.00 0.00 57.07 53.26 1bv8 s TYR 127 Cb -0.03 -0.40 0.01 0.00 0.35 0.00 0.00 41.96 41.88 1bv8 s TYR 127 CO 0.01 -0.84 0.24 -0.80 -1.34 0.00 0.00 175.55 172.82 1bv8 s ASN 128 N -3.21 0.04 -0.12 4.32 -0.87 -1.26 -0.20 114.94 113.64 1bv8 s ASN 128 Ca 0.35 -0.59 -0.29 0.00 -1.57 0.00 0.00 52.86 50.76 1bv8 s ASN 128 Cb 0.03 0.37 -0.06 0.00 -0.02 0.00 0.00 41.25 41.58 1bv8 s ASN 128 CO 0.17 -0.77 1.96 0.00 -2.57 0.00 0.00 177.10 175.89 1bv8 s ALA 129 N -3.85 3.20 -1.31 0.60 0.00 -1.26 -4.79 121.76 114.34 1bv8 s ALA 129 Ca 0.05 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 1bv8 s ALA 129 Cb 0.04 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1bv8 s ALA 129 CO -0.11 -2.10 2.34 -0.35 0.00 0.00 0.00 175.76 175.54 1bv8 n PRO 130 N 7.99 2.72 0.00 0.00 -0.04 -1.26 -4.16 135.00 140.25 1bv8 n PRO 130 Ca 0.23 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1bv8 n PRO 130 Cb 0.44 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1bv8 n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bv8 s SER 132 N -2.00 6.09 -0.30 0.00 0.15 -1.26 -5.01 113.70 111.38 1bv8 s SER 132 Ca 0.00 2.33 -0.24 0.00 0.70 0.00 0.00 55.95 58.74 1bv8 s SER 132 Cb 0.00 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.97 1bv8 s SER 132 CO 0.00 -1.39 1.38 -0.75 1.20 0.00 0.00 173.24 173.67 1bv8 s LYS 133 N 5.15 0.11 -0.37 5.44 2.20 -1.26 -5.05 119.74 125.96 1bv8 s LYS 133 Ca 0.92 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 1bv8 s LYS 133 Cb -0.38 0.05 0.11 0.00 -1.51 0.00 0.00 37.83 36.10 1bv8 s LYS 133 CO 0.38 -0.01 0.15 0.34 -0.36 0.00 0.00 175.35 175.85 1bv8 s ASP 134 N 0.17 4.02 -0.47 1.43 -1.08 -1.26 -4.93 116.67 114.55 1bv8 s ASP 134 Ca 0.05 -2.15 0.09 0.00 -0.52 0.00 0.00 52.55 50.02 1bv8 s ASP 134 Cb -0.05 -1.08 0.32 0.00 -1.46 0.00 0.00 42.92 40.65 1bv8 s ASP 134 CO -0.14 -0.35 0.77 -0.11 0.52 0.00 0.00 175.17 175.86 1bv8 n LEU 135 N 4.19 2.20 0.00 -1.34 0.00 -1.26 -4.94 117.00 115.86 1bv8 n LEU 135 Ca 0.03 -5.22 0.00 0.00 0.00 0.00 0.00 56.01 50.82 1bv8 n LEU 135 Cb 0.39 0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1bv8 n LEU 135 CO 0.19 2.25 0.00 0.61 0.00 0.00 0.00 177.39 180.44 1bv8 n GLY 136 N 0.36 1.46 0.00 -3.96 0.00 -1.26 -4.81 105.19 96.97 1bv8 n GLY 136 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1bv8 n GLY 136 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bv8 n ASN 137 N 0.00 0.00 -0.93 1.61 4.05 -1.26 -5.22 115.26 113.51 1bv8 n ASN 137 Ca 0.00 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.15 1bv8 n ASN 137 Cb 0.00 0.00 0.13 0.00 1.23 0.00 0.00 39.78 41.14 1bv8 n ASN 137 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21