#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwv s ARG 9 N 0.00 3.08 -0.14 1.45 3.52 -1.26 -4.46 118.95 121.13 1bwv s ARG 9 Ca 0.00 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.50 1bwv s ARG 9 Cb 0.00 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.81 1bwv s ARG 9 CO 0.00 -0.09 1.29 0.42 -0.81 0.00 0.00 175.30 176.11 1bwv s ILE 10 N 1.03 4.21 -0.50 4.11 -1.09 -1.26 -4.92 121.20 122.77 1bwv s ILE 10 Ca -0.02 1.48 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 1bwv s ILE 10 Cb -0.15 -3.95 0.58 0.00 -1.58 0.00 0.00 42.46 37.37 1bwv s ILE 10 CO -0.05 -0.11 1.90 0.35 -1.23 0.00 0.00 174.94 175.79 1bwv n THR 11 N 5.29 3.28 -2.59 2.92 -2.24 -1.26 -4.93 114.28 114.75 1bwv n THR 11 Ca 0.14 -2.36 -0.35 0.00 -2.27 0.00 0.00 64.05 59.20 1bwv n THR 11 Cb 0.45 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.94 1bwv n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1bwv s GLN 12 N -3.47 4.06 0.00 -0.78 -0.21 -1.26 -4.80 119.66 113.20 1bwv s GLN 12 Ca 0.58 1.40 0.00 0.00 0.02 0.00 0.00 55.36 57.36 1bwv s GLN 12 Cb 0.48 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 32.15 1bwv s GLN 12 CO 0.06 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1bwv n GLY 13 N 0.01 2.46 0.18 3.09 0.00 -1.26 -4.62 105.19 105.05 1bwv n GLY 13 Ca 0.07 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1bwv n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bwv h THR 14 N 0.00 1.25 0.00 2.61 2.02 -1.07 -3.29 112.91 114.43 1bwv h THR 14 Ca 0.00 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 1bwv h THR 14 Cb 0.00 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1bwv h THR 14 CO 0.00 0.38 -0.39 0.49 0.37 0.00 0.00 175.52 176.37 1bwv n PHE 15 N -4.05 0.00 1.39 3.16 3.72 -1.26 -4.83 117.46 115.60 1bwv n PHE 15 Ca -0.02 -1.10 0.13 0.00 -0.05 0.00 0.00 57.45 56.41 1bwv n PHE 15 Cb 0.42 -0.19 0.72 0.00 -0.94 0.00 0.00 39.48 39.49 1bwv n PHE 15 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1bwv n SER 16 N -0.97 0.00 -0.16 4.37 7.64 -1.24 -1.68 113.62 121.58 1bwv n SER 16 Ca 0.15 -0.30 0.13 0.00 1.01 0.00 0.00 58.87 59.86 1bwv n SER 16 Cb 0.72 -0.21 0.39 0.00 -1.01 0.00 0.00 64.21 64.11 1bwv n SER 16 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1bwv n PHE 17 N -1.21 0.00 -3.25 1.43 3.01 -1.26 -4.85 117.46 111.33 1bwv n PHE 17 Ca 0.15 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.39 1bwv n PHE 17 Cb 0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1bwv n PHE 17 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bwv s LEU 18 N -2.62 3.84 0.74 4.37 1.43 -0.68 -5.08 118.68 120.68 1bwv s LEU 18 Ca 0.22 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1bwv s LEU 18 Cb 0.19 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 1bwv s LEU 18 CO 0.55 -0.52 0.78 -2.65 0.23 0.00 0.00 176.35 174.74 1bwv n PRO 19 N -1.87 0.36 -1.68 1.29 -0.02 -1.26 -4.89 135.00 126.92 1bwv n PRO 19 Ca -0.01 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 1bwv n PRO 19 Cb 0.57 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1bwv n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bwv n ASP 20 N -1.23 3.97 -4.75 2.55 8.00 -1.26 -4.88 116.55 118.94 1bwv n ASP 20 Ca 0.12 0.97 -0.41 0.00 0.71 0.00 0.00 54.79 56.18 1bwv n ASP 20 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.06 1bwv n ASP 20 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bwv s LEU 21 N 3.11 4.35 0.59 0.64 1.43 -1.26 -5.02 118.68 122.52 1bwv s LEU 21 Ca 0.84 2.88 -0.14 0.00 -1.03 0.00 0.00 54.13 56.68 1bwv s LEU 21 Cb -0.50 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1bwv s LEU 21 CO 0.40 -0.85 1.03 0.42 0.23 0.00 0.00 176.35 177.58 1bwv s THR 22 N -0.14 4.25 0.49 5.49 -4.23 -1.26 -4.82 115.64 115.42 1bwv s THR 22 Ca 0.61 0.95 0.29 0.00 -1.18 0.00 0.00 61.69 62.36 1bwv s THR 22 Cb -0.46 -3.58 0.48 0.00 1.34 0.00 0.00 72.50 70.28 1bwv s THR 22 CO 0.48 -0.74 1.82 0.44 -0.54 0.00 0.00 174.62 176.08 1bwv h ASP 23 N 0.28 0.15 -0.26 3.99 3.32 -1.98 0.16 116.42 122.08 1bwv h ASP 23 Ca -0.46 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1bwv h ASP 23 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1bwv h ASP 23 CO 0.59 0.03 0.09 -0.08 -1.72 0.00 0.00 179.24 178.16 1bwv h GLU 24 N 0.14 0.39 -0.52 3.56 4.22 -2.00 -0.46 114.58 119.91 1bwv h GLU 24 Ca 0.54 -0.08 -0.12 0.00 0.08 0.00 0.00 59.36 59.78 1bwv h GLU 24 Cb 1.86 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1bwv h GLU 24 CO -0.10 0.45 -0.13 1.96 -2.18 0.00 0.00 179.01 179.01 1bwv h GLN 25 N 0.26 0.99 -0.47 1.92 4.20 -1.13 -2.68 115.11 118.20 1bwv h GLN 25 Ca 0.08 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1bwv h GLN 25 Cb 0.21 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1bwv h GLN 25 CO -0.00 1.05 0.23 0.82 -0.67 0.00 0.00 178.83 180.26 1bwv h ILE 26 N 0.88 1.18 -0.58 2.54 2.04 -0.89 -2.32 117.51 120.36 1bwv h ILE 26 Ca 0.13 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1bwv h ILE 26 Cb 0.69 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1bwv h ILE 26 CO 0.05 0.20 0.24 0.50 0.00 0.00 0.00 178.15 179.14 1bwv h LYS 27 N 0.61 0.42 -0.30 2.37 3.11 -0.90 0.20 116.57 122.09 1bwv h LYS 27 Ca 0.16 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.93 1bwv h LYS 27 Cb 0.11 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1bwv h LYS 27 CO -0.02 0.28 -0.02 0.87 -2.81 0.00 0.00 179.45 177.75 1bwv h LYS 28 N 0.44 0.46 -0.24 1.90 1.57 -1.15 -0.86 116.57 118.68 1bwv h LYS 28 Ca 0.28 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1bwv h LYS 28 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1bwv h LYS 28 CO -0.26 0.50 -0.47 1.96 -0.57 0.00 0.00 179.45 180.61 1bwv h GLN 29 N 0.44 0.64 -0.52 3.15 1.08 -0.55 -2.42 115.11 116.94 1bwv h GLN 29 Ca 0.10 -0.36 -0.08 0.00 -1.45 0.00 0.00 58.65 56.85 1bwv h GLN 29 Cb 0.32 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1bwv h GLN 29 CO 0.01 0.97 -0.01 0.82 -0.95 0.00 0.00 178.83 179.68 1bwv h ILE 30 N 0.51 1.25 -0.99 2.54 2.04 -0.27 -1.11 117.51 121.49 1bwv h ILE 30 Ca 0.03 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.86 1bwv h ILE 30 Cb 1.01 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1bwv h ILE 30 CO 0.09 0.38 0.64 0.44 0.00 0.00 0.00 178.15 179.71 1bwv h ASP 31 N 0.82 1.05 -0.08 1.72 3.32 -0.94 0.17 116.42 122.48 1bwv h ASP 31 Ca 0.15 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1bwv h ASP 31 Cb 0.50 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1bwv h ASP 31 CO 0.02 0.70 0.04 0.22 -1.72 0.00 0.00 179.24 178.51 1bwv h TYR 32 N 1.21 0.10 -0.97 4.55 3.20 -0.88 -0.57 116.97 123.61 1bwv h TYR 32 Ca 0.41 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.28 1bwv h TYR 32 Cb 0.08 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1bwv h TYR 32 CO -0.00 0.13 0.64 0.52 -1.64 0.00 0.00 178.16 177.81 1bwv h MET 33 N 0.04 1.27 -0.60 1.82 2.86 -0.32 -2.20 114.93 117.81 1bwv h MET 33 Ca 0.03 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1bwv h MET 33 Cb 0.06 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1bwv h MET 33 CO -0.00 0.84 -0.01 0.82 1.06 0.00 0.00 176.91 179.62 1bwv h ILE 34 N 1.31 1.27 0.00 -1.22 2.04 -0.71 -2.01 117.51 118.18 1bwv h ILE 34 Ca 0.35 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 1bwv h ILE 34 Cb -0.15 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1bwv h ILE 34 CO -0.08 0.42 -0.17 0.77 0.00 0.00 0.00 178.15 179.09 1bwv h SER 35 N 0.97 0.00 -0.53 1.72 4.64 -0.53 -1.49 113.55 118.32 1bwv h SER 35 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1bwv h SER 35 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1bwv h SER 35 CO 0.03 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.46 1bwv n LYS 36 N -3.54 2.48 -3.95 4.77 5.02 -0.89 -4.96 118.16 117.10 1bwv n LYS 36 Ca -0.01 -2.02 -0.29 0.00 -2.02 0.00 0.00 58.31 53.97 1bwv n LYS 36 Cb 0.32 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1bwv n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bwv n LYS 37 N 1.02 -4.56 -3.28 1.97 4.01 -0.56 -4.97 118.16 111.79 1bwv n LYS 37 Ca 0.19 0.52 -0.32 0.00 -0.51 0.00 0.00 58.31 58.19 1bwv n LYS 37 Cb 0.53 -5.19 -0.06 0.00 -0.51 0.00 0.00 35.03 29.80 1bwv n LYS 37 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bwv s LEU 38 N -7.12 4.13 0.08 -0.35 1.43 -0.79 -4.85 118.68 111.21 1bwv s LEU 38 Ca 0.44 1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 54.37 1bwv s LEU 38 Cb -0.23 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 1bwv s LEU 38 CO 0.86 -0.12 0.90 0.00 0.23 0.00 0.00 176.35 178.21 1bwv s ALA 39 N -1.87 3.28 -0.16 4.21 0.00 -0.53 -4.79 121.76 121.90 1bwv s ALA 39 Ca 0.50 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1bwv s ALA 39 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1bwv s ALA 39 CO 0.19 -0.02 -0.07 0.42 0.00 0.00 0.00 175.76 176.28 1bwv s ILE 40 N 0.08 3.48 0.12 0.00 1.01 -0.28 -0.98 121.20 124.63 1bwv s ILE 40 Ca 0.45 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.69 1bwv s ILE 40 Cb -0.22 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1bwv s ILE 40 CO 0.27 0.49 -0.21 -0.83 0.00 0.00 0.00 174.94 174.67 1bwv s GLY 41 N 0.54 1.32 -0.12 6.18 0.00 0.02 -0.56 107.32 114.70 1bwv s GLY 41 Ca -0.05 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1bwv s GLY 41 CO 0.03 -1.34 -0.20 -0.42 0.00 0.00 0.00 173.10 171.18 1bwv s ILE 42 N -1.33 1.84 0.12 0.90 1.01 -1.26 -0.71 121.20 121.77 1bwv s ILE 42 Ca 0.09 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1bwv s ILE 42 Cb -0.09 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1bwv s ILE 42 CO 0.05 0.51 -0.13 -1.61 0.00 0.00 0.00 174.94 173.76 1bwv s GLU 43 N 0.84 0.99 0.04 2.79 2.02 -0.60 -0.89 118.70 123.87 1bwv s GLU 43 Ca -0.08 -1.24 -0.10 0.00 0.02 0.00 0.00 54.97 53.57 1bwv s GLU 43 Cb -0.15 -0.79 0.01 0.00 0.10 0.00 0.00 34.13 33.29 1bwv s GLU 43 CO -0.01 0.14 0.20 1.52 0.02 0.00 0.00 175.26 177.14 1bwv s TYR 44 N -2.32 0.03 0.17 1.61 1.13 -0.02 -0.88 117.35 117.06 1bwv s TYR 44 Ca 0.09 -0.23 -0.24 0.00 -1.41 0.00 0.00 57.07 55.29 1bwv s TYR 44 Cb -0.04 -0.02 0.06 0.00 -1.10 0.00 0.00 41.96 40.87 1bwv s TYR 44 CO 0.02 -0.42 0.71 0.95 -2.51 0.00 0.00 175.55 174.30 1bwv s THR 45 N -2.43 0.00 -0.16 -3.49 -4.23 -0.56 -0.79 115.64 103.98 1bwv s THR 45 Ca -0.06 -0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.24 1bwv s THR 45 Cb -0.02 -1.38 0.37 0.00 1.34 0.00 0.00 72.50 72.81 1bwv s THR 45 CO -0.03 0.00 1.19 -0.46 -0.54 0.00 0.00 174.62 174.77 1bwv n ASN 46 N -0.39 1.74 -3.68 3.99 0.23 -1.26 -0.87 115.26 115.02 1bwv n ASN 46 Ca -0.11 -3.41 -0.29 0.00 -0.53 0.00 0.00 54.58 50.24 1bwv n ASN 46 Cb 0.62 -0.46 -0.13 0.00 -2.08 0.00 0.00 39.78 37.73 1bwv n ASN 46 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bwv s ASP 47 N -2.92 3.49 -0.33 0.53 2.15 -1.26 -4.68 116.67 113.66 1bwv s ASP 47 Ca 0.34 -2.78 -0.03 0.00 0.43 0.00 0.00 52.55 50.51 1bwv s ASP 47 Cb 0.33 -1.00 0.06 0.00 -0.30 0.00 0.00 42.92 42.01 1bwv s ASP 47 CO -0.05 -0.24 2.64 2.30 -0.17 0.00 0.00 175.17 179.65 1bwv n ILE 48 N 3.33 3.05 -2.34 4.11 -6.64 -1.26 -4.85 119.36 114.75 1bwv n ILE 48 Ca 0.12 -2.26 -0.41 0.00 -1.77 0.00 0.00 62.75 58.43 1bwv n ILE 48 Cb 0.36 -1.57 -0.03 0.00 -1.44 0.00 0.00 39.64 36.96 1bwv n ILE 48 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1bwv s HIS 49 N -1.27 3.39 0.34 4.28 2.46 -1.26 -4.90 115.29 118.32 1bwv s HIS 49 Ca 0.49 1.43 0.11 0.00 0.47 0.00 0.00 55.06 57.55 1bwv s HIS 49 Cb 0.31 -3.46 0.89 0.00 -0.13 0.00 0.00 32.58 30.19 1bwv s HIS 49 CO -0.11 -1.28 1.77 -1.00 -2.47 0.00 0.00 174.74 171.65 1bwv h PRO 50 N 4.91 0.59 -0.07 2.88 0.13 -1.98 0.97 132.00 139.43 1bwv h PRO 50 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bwv h PRO 50 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bwv h PRO 50 CO 0.73 0.39 0.00 0.54 -0.23 0.00 0.00 178.00 179.43 1bwv n ARG 51 N -4.75 1.22 -2.68 0.86 5.12 -1.26 -4.64 116.66 110.53 1bwv n ARG 51 Ca 0.24 -0.33 -0.42 0.00 -1.93 0.00 0.00 57.85 55.41 1bwv n ARG 51 Cb 0.69 -1.21 -0.02 0.00 -1.16 0.00 0.00 32.46 30.76 1bwv n ARG 51 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1bwv s ASN 64 N -1.33 6.64 0.49 0.55 2.47 0.33 -4.80 114.94 119.29 1bwv s ASN 64 Ca 0.19 -1.89 0.25 0.00 0.42 0.00 0.00 52.86 51.83 1bwv s ASN 64 Cb 0.09 -2.52 1.28 0.00 -1.45 0.00 0.00 41.25 38.65 1bwv s ASN 64 CO 0.15 -1.29 2.01 0.00 -3.72 0.00 0.00 177.10 174.25 1bwv h ALA 65 N 8.97 1.27 -3.53 1.71 0.00 -1.86 -3.40 119.26 122.43 1bwv h ALA 65 Ca 0.24 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 54.36 1bwv h ALA 65 Cb 0.98 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.34 1bwv h ALA 65 CO 1.35 0.20 -0.71 0.71 0.00 0.00 0.00 179.25 180.80 1bwv s TYR 66 N -4.13 3.32 0.71 0.00 2.02 -1.26 -5.08 117.35 112.93 1bwv s TYR 66 Ca -0.02 -2.87 -0.11 0.00 -0.37 0.00 0.00 57.07 53.69 1bwv s TYR 66 Cb 0.13 -2.72 0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1bwv s TYR 66 CO 0.61 -0.89 1.09 -1.58 -1.57 0.00 0.00 175.55 173.21 1bwv s TRP 67 N 0.69 3.28 0.22 2.71 0.52 -1.26 -5.02 118.94 120.08 1bwv s TRP 67 Ca 0.13 1.10 -0.30 0.00 0.02 0.00 0.00 56.10 57.05 1bwv s TRP 67 Cb -0.21 -3.03 -0.08 0.00 -1.15 0.00 0.00 33.47 29.00 1bwv s TRP 67 CO -0.08 -1.21 1.11 -1.21 0.02 0.00 0.00 176.95 175.58 1bwv s GLU 68 N -5.30 4.60 0.07 4.98 0.41 0.03 -4.76 118.70 118.74 1bwv s GLU 68 Ca 0.58 1.76 -0.23 0.00 -0.41 0.00 0.00 54.97 56.67 1bwv s GLU 68 Cb -0.12 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 28.93 1bwv s GLU 68 CO 0.52 0.12 0.71 0.42 -0.49 0.00 0.00 175.26 176.54 1bwv s ILE 69 N -0.56 4.66 -0.75 -1.63 1.01 -1.26 -0.84 121.20 121.82 1bwv s ILE 69 Ca 0.48 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 62.46 1bwv s ILE 69 Cb -0.31 -4.06 0.13 0.00 0.01 0.00 0.00 42.46 38.24 1bwv s ILE 69 CO 0.37 0.45 0.88 0.86 0.00 0.00 0.00 174.94 177.50 1bwv s TRP 70 N -0.54 3.13 0.00 3.97 -0.11 -0.07 -4.92 118.94 120.39 1bwv s TRP 70 Ca 0.35 -1.23 0.00 0.00 1.22 0.00 0.00 56.10 56.44 1bwv s TRP 70 Cb -0.21 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 27.66 1bwv s TRP 70 CO 0.22 -1.35 0.00 0.41 -4.62 0.00 0.00 176.95 171.61 1bwv n GLY 71 N 5.13 0.90 3.28 5.86 0.00 -1.26 -4.57 105.19 114.53 1bwv n GLY 71 Ca 0.06 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1bwv n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bwv s LEU 72 N 0.00 2.06 0.20 0.99 2.96 -1.26 -5.05 118.68 118.59 1bwv s LEU 72 Ca 0.00 -0.45 -0.32 0.00 -0.22 0.00 0.00 54.13 53.14 1bwv s LEU 72 Cb 0.00 -1.21 -0.14 0.00 0.50 0.00 0.00 46.19 45.33 1bwv s LEU 72 CO 0.00 0.28 1.36 -0.81 -1.32 0.00 0.00 176.35 175.87 1bwv n PRO 73 N 2.40 1.77 -2.55 0.98 -0.04 -1.26 -4.92 135.00 131.38 1bwv n PRO 73 Ca -0.16 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 1bwv n PRO 73 Cb 0.52 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1bwv n PRO 73 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bwv s LEU 74 N 0.37 3.85 -0.08 1.53 1.02 0.28 -4.86 118.68 120.79 1bwv s LEU 74 Ca 0.72 0.99 -0.04 0.00 0.02 0.00 0.00 54.13 55.82 1bwv s LEU 74 Cb -0.72 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.93 1bwv s LEU 74 CO 0.48 -1.04 -0.07 -0.26 0.02 0.00 0.00 176.35 175.49 1bwv h PHE 75 N 8.80 0.00 -3.24 0.29 0.04 -1.91 -0.73 116.94 120.19 1bwv h PHE 75 Ca -0.23 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.80 1bwv h PHE 75 Cb 1.07 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 38.95 1bwv h PHE 75 CO 0.88 0.00 -0.30 -0.51 -0.60 0.00 0.00 178.31 177.79 1bwv s ASP 76 N -4.84 5.95 -0.20 2.17 1.01 -1.26 -4.48 116.67 115.02 1bwv s ASP 76 Ca -0.06 -1.93 -0.08 0.00 0.71 0.00 0.00 52.55 51.20 1bwv s ASP 76 Cb 0.01 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1bwv s ASP 76 CO 0.09 -0.75 0.07 -0.69 0.21 0.00 0.00 175.17 174.10 1bwv s VAL 77 N 1.36 4.78 -0.15 -1.27 1.01 -1.26 -4.95 120.40 119.92 1bwv s VAL 77 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1bwv s VAL 77 Cb -0.27 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 1bwv s VAL 77 CO 0.00 0.43 -0.07 0.41 0.00 0.00 0.00 175.10 175.87 1bwv n THR 78 N 3.83 0.91 -3.75 3.92 -1.04 -1.26 -4.91 114.28 111.97 1bwv n THR 78 Ca -0.16 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.05 61.05 1bwv n THR 78 Cb 0.52 -0.92 -0.13 0.00 -1.82 0.00 0.00 70.33 67.99 1bwv n THR 78 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bwv s ASP 79 N -5.19 5.13 0.50 8.00 2.15 -1.26 -4.99 116.67 121.01 1bwv s ASP 79 Ca -0.16 -0.53 0.26 0.00 0.43 0.00 0.00 52.55 52.55 1bwv s ASP 79 Cb 0.05 -1.90 1.35 0.00 -0.30 0.00 0.00 42.92 42.12 1bwv s ASP 79 CO 0.43 -0.14 1.92 1.55 -0.17 0.00 0.00 175.17 178.76 1bwv h PRO 80 N 8.24 0.11 0.00 4.34 0.13 -1.94 -2.42 132.00 140.46 1bwv h PRO 80 Ca -0.34 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1bwv h PRO 80 Cb 1.14 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1bwv h PRO 80 CO 0.60 0.07 -0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1bwv h ALA 81 N 1.63 1.96 -0.62 -0.56 0.00 -1.98 -1.50 119.26 118.18 1bwv h ALA 81 Ca 0.38 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1bwv h ALA 81 Cb 1.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1bwv h ALA 81 CO -0.05 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.42 1bwv h ALA 82 N 2.00 0.81 -0.18 0.00 0.00 -1.87 -0.29 119.26 119.73 1bwv h ALA 82 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1bwv h ALA 82 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1bwv h ALA 82 CO 0.00 0.47 -0.27 0.28 0.00 0.00 0.00 179.25 179.73 1bwv h VAL 83 N 0.89 1.34 -0.82 0.00 2.07 -1.49 -2.55 116.25 115.69 1bwv h VAL 83 Ca 0.20 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.32 1bwv h VAL 83 Cb 0.27 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1bwv h VAL 83 CO -0.01 0.45 0.47 -0.07 0.02 0.00 0.00 177.57 178.44 1bwv h LEU 84 N 0.14 0.69 -0.31 2.57 -0.00 -1.04 -0.59 115.31 116.77 1bwv h LEU 84 Ca 0.02 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.98 1bwv h LEU 84 Cb 0.85 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1bwv h LEU 84 CO 0.06 0.40 0.09 0.15 -0.00 0.00 0.00 178.44 179.14 1bwv h PHE 85 N 0.80 0.16 -0.21 1.13 3.57 -0.91 0.17 116.94 121.66 1bwv h PHE 85 Ca 0.39 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.80 1bwv h PHE 85 Cb 0.34 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1bwv h PHE 85 CO -0.06 0.06 -0.34 0.93 -2.23 0.00 0.00 178.31 176.67 1bwv h GLU 86 N 0.22 0.44 -0.27 1.11 4.39 -0.89 0.39 114.58 119.97 1bwv h GLU 86 Ca 0.14 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1bwv h GLU 86 Cb 0.12 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1bwv h GLU 86 CO -0.16 0.73 0.11 0.82 -1.16 0.00 0.00 179.01 179.35 1bwv h ILE 87 N 0.38 1.17 -0.24 3.13 2.04 -0.59 -0.34 117.51 123.06 1bwv h ILE 87 Ca 0.04 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1bwv h ILE 87 Cb 0.78 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1bwv h ILE 87 CO 0.06 0.18 -0.27 0.78 0.00 0.00 0.00 178.15 178.90 1bwv h ASN 88 N 0.28 0.48 -0.56 1.72 -0.26 -0.74 -0.16 115.58 116.34 1bwv h ASN 88 Ca 0.09 -0.17 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 1bwv h ASN 88 Cb 0.18 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1bwv h ASN 88 CO -0.01 0.74 0.14 0.00 -1.06 0.00 0.00 177.43 177.24 1bwv h ALA 89 N 1.30 0.74 -0.18 -0.83 0.00 -0.67 -0.71 119.26 118.92 1bwv h ALA 89 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1bwv h ALA 89 Cb 0.69 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bwv h ALA 89 CO 0.05 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.80 1bwv h ARG 91 N 0.10 0.79 -0.27 0.00 3.08 -0.83 0.37 114.38 117.62 1bwv h ARG 91 Ca 0.06 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1bwv h ARG 91 Cb 0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1bwv h ARG 91 CO -0.00 0.52 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.94 1bwv h LYS 92 N 0.81 0.64 0.00 0.04 3.11 -0.84 -2.83 116.57 117.51 1bwv h LYS 92 Ca 0.36 -0.34 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 1bwv h LYS 92 Cb 0.33 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1bwv h LYS 92 CO -0.13 0.94 -0.52 0.00 -2.81 0.00 0.00 179.45 176.93 1bwv h ALA 93 N 0.69 0.74 -2.13 5.00 0.00 -0.29 -3.38 119.26 119.89 1bwv h ALA 93 Ca 0.04 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 1bwv h ALA 93 Cb 0.82 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.18 1bwv h ALA 93 CO 0.06 0.47 -0.93 0.54 0.00 0.00 0.00 179.25 179.40 1bwv n ARG 94 N -3.12 1.99 0.07 0.00 5.12 0.12 -4.96 116.66 115.88 1bwv n ARG 94 Ca 0.01 -4.06 0.02 0.00 -1.93 0.00 0.00 57.85 51.88 1bwv n ARG 94 Cb 0.69 -1.93 0.37 0.00 -1.16 0.00 0.00 32.46 30.42 1bwv n ARG 94 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1bwv h SER 95 N 3.13 0.33 -1.78 0.55 0.02 -1.69 -3.10 113.55 111.01 1bwv h SER 95 Ca 0.12 -0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 60.32 1bwv h SER 95 Cb 0.75 -0.08 -0.34 0.00 0.14 0.00 0.00 62.40 62.87 1bwv h SER 95 CO 0.65 0.43 0.23 -0.46 -1.14 0.00 0.00 176.83 176.54 1bwv n ASN 96 N -4.30 6.21 -4.24 3.07 6.94 -1.26 -4.53 115.26 117.15 1bwv n ASN 96 Ca 0.00 -3.78 -0.14 0.00 -0.02 0.00 0.00 54.58 50.64 1bwv n ASN 96 Cb 0.24 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 36.77 1bwv n ASN 96 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1bwv s PHE 97 N -3.83 1.22 -0.08 -2.53 0.40 -1.17 -4.76 117.98 107.23 1bwv s PHE 97 Ca 0.50 -0.90 -0.21 0.00 -0.60 0.00 0.00 56.93 55.72 1bwv s PHE 97 Cb 0.42 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 1bwv s PHE 97 CO -0.31 -0.08 0.60 0.71 0.70 0.00 0.00 175.22 176.84 1bwv s TYR 98 N -3.51 3.57 -0.02 0.36 2.02 -0.05 -3.81 117.35 115.93 1bwv s TYR 98 Ca 0.20 1.10 0.06 0.00 -0.37 0.00 0.00 57.07 58.06 1bwv s TYR 98 Cb 0.05 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1bwv s TYR 98 CO 0.02 0.16 -0.19 0.42 -1.57 0.00 0.00 175.55 174.39 1bwv s ILE 99 N 0.56 1.51 0.07 2.71 1.01 -0.70 -1.50 121.20 124.86 1bwv s ILE 99 Ca 0.32 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1bwv s ILE 99 Cb -0.17 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1bwv s ILE 99 CO 0.15 0.43 -0.08 -1.59 0.00 0.00 0.00 174.94 173.85 1bwv s LYS 100 N -0.42 0.70 -0.11 2.79 -2.85 -0.06 -0.65 119.74 119.13 1bwv s LYS 100 Ca 0.07 -1.02 -0.01 0.00 -1.00 0.00 0.00 55.97 54.00 1bwv s LYS 100 Cb -0.08 -0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 35.33 1bwv s LYS 100 CO -0.01 0.04 -0.06 0.08 0.10 0.00 0.00 175.35 175.50 1bwv s VAL 101 N -2.28 3.71 -0.02 1.79 1.01 -0.28 -1.56 120.40 122.76 1bwv s VAL 101 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1bwv s VAL 101 Cb -0.04 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1bwv s VAL 101 CO -0.01 0.54 -0.24 -0.69 0.00 0.00 0.00 175.10 174.70 1bwv s VAL 102 N -0.15 1.94 -0.15 2.92 1.01 0.11 -1.91 120.40 124.17 1bwv s VAL 102 Ca 0.02 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1bwv s VAL 102 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1bwv s VAL 102 CO 0.03 0.55 -0.19 -0.83 0.00 0.00 0.00 175.10 174.66 1bwv s GLY 103 N -0.51 1.28 -0.06 4.51 0.00 -0.57 -0.80 107.32 111.17 1bwv s GLY 103 Ca 0.08 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1bwv s GLY 103 CO -0.00 0.22 -0.06 -0.12 0.00 0.00 0.00 173.10 173.15 1bwv s PHE 104 N 1.13 2.97 -0.17 1.90 2.19 -0.15 -0.64 117.98 125.22 1bwv s PHE 104 Ca -0.01 0.04 -0.00 0.00 0.33 0.00 0.00 56.93 57.29 1bwv s PHE 104 Cb -0.14 -1.71 0.00 0.00 -1.31 0.00 0.00 43.02 39.87 1bwv s PHE 104 CO -0.07 0.36 -0.15 0.45 1.83 0.00 0.00 175.22 177.64 1bwv s SER 105 N -0.93 3.63 0.00 6.13 0.15 -0.25 -1.45 113.70 120.98 1bwv s SER 105 Ca 0.13 -0.50 0.20 0.00 0.70 0.00 0.00 55.95 56.49 1bwv s SER 105 Cb -0.11 -1.57 1.07 0.00 -1.71 0.00 0.00 66.02 63.70 1bwv s SER 105 CO 0.03 0.05 1.71 -1.20 1.20 0.00 0.00 173.24 175.02 1bwv n SER 106 N 4.28 0.47 -4.75 5.45 7.64 -1.26 -2.32 113.62 123.13 1bwv n SER 106 Ca -0.19 -1.47 -0.41 0.00 1.01 0.00 0.00 58.87 57.81 1bwv n SER 106 Cb 0.51 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1bwv n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bwv s VAL 107 N -1.95 2.45 0.27 0.44 1.01 -1.26 -4.61 120.40 116.76 1bwv s VAL 107 Ca 0.31 0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1bwv s VAL 107 Cb 0.15 -3.25 0.40 0.00 0.00 0.00 0.00 36.38 33.68 1bwv s VAL 107 CO 0.24 0.07 1.58 -0.09 0.00 0.00 0.00 175.10 176.90 1bwv h ARG 107 N 4.63 0.01 0.00 2.72 2.43 -2.02 0.85 114.38 123.00 1bwv h ARG 107 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1bwv h ARG 107 Cb 1.22 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1bwv h ARG 107 CO 0.76 0.01 0.00 0.78 -1.51 0.00 0.00 179.97 180.00 1bwv h GLY 107 N 0.01 0.00 0.00 2.80 0.00 -1.98 -3.39 103.07 100.51 1bwv h GLY 107 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1bwv h GLY 107 CO -0.92 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.01 1bwv n ILE 108 N -2.77 0.00 -4.10 2.60 -0.00 0.19 -5.01 119.36 110.26 1bwv n ILE 108 Ca 0.02 0.25 -0.31 0.00 -0.00 0.00 0.00 62.75 62.71 1bwv n ILE 108 Cb 0.33 -1.23 -0.04 0.00 -0.00 0.00 0.00 39.64 38.70 1bwv n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1bwv n GLU 109 N -2.03 -1.72 -3.84 0.38 1.02 -0.58 -4.93 120.64 108.94 1bwv n GLU 109 Ca 0.00 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 1bwv n GLU 109 Cb 0.00 -3.82 0.02 0.00 -0.02 0.00 0.00 31.44 27.62 1bwv n GLU 109 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bwv n SER 110 N -2.81 -2.18 -4.72 1.62 2.88 -1.07 -4.97 113.62 102.37 1bwv n SER 110 Ca -0.28 -2.67 -0.42 0.00 -1.33 0.00 0.00 58.87 54.18 1bwv n SER 110 Cb 0.67 3.67 -0.03 0.00 -0.75 0.00 0.00 64.21 67.77 1bwv n SER 110 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1bwv s THR 111 N -2.21 4.00 -0.69 2.46 2.01 -1.26 -1.09 115.64 118.86 1bwv s THR 111 Ca 0.18 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1bwv s THR 111 Cb -0.04 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1bwv s THR 111 CO 0.14 0.18 0.66 2.30 -0.69 0.00 0.00 174.62 177.21 1bwv n ILE 112 N 3.25 0.00 -3.65 1.82 -5.35 0.19 -4.93 119.36 110.69 1bwv n ILE 112 Ca 0.06 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.90 1bwv n ILE 112 Cb 0.46 1.11 -0.08 0.00 -1.74 0.00 0.00 39.64 39.40 1bwv n ILE 112 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1bwv s ILE 113 N -0.51 0.00 -0.24 7.28 2.07 -1.22 -5.00 121.20 123.58 1bwv s ILE 113 Ca 0.06 -0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.21 1bwv s ILE 113 Cb 0.05 -0.85 0.11 0.00 0.13 0.00 0.00 42.46 41.90 1bwv s ILE 113 CO 0.08 -0.02 0.49 -0.55 -1.91 0.00 0.00 174.94 173.03 1bwv s SER 114 N -0.01 -0.51 -0.00 4.50 0.15 -1.26 -1.51 113.70 115.06 1bwv s SER 114 Ca -0.03 1.04 -0.04 0.00 0.70 0.00 0.00 55.95 57.62 1bwv s SER 114 Cb -0.04 1.63 -0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1bwv s SER 114 CO 0.02 -0.24 0.07 0.72 1.20 0.00 0.00 173.24 175.02 1bwv s PHE 115 N 2.70 0.08 0.01 3.44 -0.71 -0.80 -0.39 117.98 122.30 1bwv s PHE 115 Ca 0.01 -0.17 -0.30 0.00 -1.04 0.00 0.00 56.93 55.43 1bwv s PHE 115 Cb -0.13 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1bwv s PHE 115 CO -0.15 -0.20 1.07 0.42 -1.34 0.00 0.00 175.22 175.02 1bwv s ILE 116 N -1.07 4.55 -0.76 -4.49 -1.09 -1.26 -1.13 121.20 115.95 1bwv s ILE 116 Ca -0.12 1.83 0.06 0.00 -2.23 0.00 0.00 60.65 60.19 1bwv s ILE 116 Cb -0.07 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1bwv s ILE 116 CO 0.00 0.12 0.72 1.33 -1.23 0.00 0.00 174.94 175.88 1bwv n VAL 117 N 4.01 0.05 -3.63 2.92 0.24 0.17 -4.80 118.33 117.29 1bwv n VAL 117 Ca 0.08 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.73 1bwv n VAL 117 Cb 0.49 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 1bwv n VAL 117 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1bwv s ASN 118 N -0.54 -0.75 0.01 -1.34 3.84 -1.11 -4.92 114.94 110.14 1bwv s ASN 118 Ca 0.07 1.39 0.02 0.00 0.21 0.00 0.00 52.86 54.56 1bwv s ASN 118 Cb 0.05 1.39 -0.01 0.00 -0.55 0.00 0.00 41.25 42.14 1bwv s ASN 118 CO 0.08 -0.24 -0.08 -0.13 -2.79 0.00 0.00 177.10 173.94 1bwv s ARG 119 N 0.59 0.58 0.88 0.43 0.52 -1.25 -1.73 118.95 118.97 1bwv s ARG 119 Ca -0.02 -0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 1bwv s ARG 119 Cb -0.05 -0.53 0.12 0.00 0.52 0.00 0.00 34.95 35.02 1bwv s ARG 119 CO -0.04 0.14 1.17 -1.25 0.02 0.00 0.00 175.30 175.34 1bwv s PRO 120 N -0.54 1.23 0.53 3.54 0.04 -1.25 -4.86 135.00 133.69 1bwv s PRO 120 Ca 0.00 1.62 0.19 0.00 0.04 0.00 0.00 61.00 62.85 1bwv s PRO 120 Cb -0.05 -1.74 1.32 0.00 0.04 0.00 0.00 34.50 34.07 1bwv s PRO 120 CO 0.00 -2.49 2.12 0.87 0.04 0.00 0.00 177.00 177.54 1bwv h LYS 121 N -1.54 0.00 -2.79 4.56 1.57 -1.90 -3.41 116.57 113.06 1bwv h LYS 121 Ca -0.44 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 1bwv h LYS 121 Cb 1.28 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.30 1bwv h LYS 121 CO 0.43 0.00 -0.41 -1.58 -0.57 0.00 0.00 179.45 177.32 1bwv s HIS 122 N -5.04 -0.51 -0.36 -1.35 5.04 -1.26 -5.13 115.29 106.69 1bwv s HIS 122 Ca -0.05 1.10 -0.11 0.00 -1.54 0.00 0.00 55.06 54.46 1bwv s HIS 122 Cb 0.18 0.14 0.02 0.00 0.04 0.00 0.00 32.58 32.95 1bwv s HIS 122 CO 0.68 -0.33 0.21 -2.00 -2.34 0.00 0.00 174.74 170.96 1bwv s GLU 123 N 1.73 3.01 0.20 2.88 2.56 -1.26 -4.97 118.70 122.85 1bwv s GLU 123 Ca -0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 54.97 53.85 1bwv s GLU 123 Cb -0.10 -3.73 0.20 0.00 2.00 0.00 0.00 34.13 32.50 1bwv s GLU 123 CO -0.11 -0.62 1.83 -1.35 -0.56 0.00 0.00 175.26 174.45 1bwv h PRO 124 N 8.44 0.74 0.00 4.30 0.11 -2.00 0.91 132.00 144.50 1bwv h PRO 124 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bwv h PRO 124 Cb 1.12 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1bwv h PRO 124 CO 0.66 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1bwv n GLY 125 N -1.28 -0.14 3.21 -0.55 0.00 -1.26 -4.36 105.19 100.82 1bwv n GLY 125 Ca 0.07 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 1bwv n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bwv s PHE 126 N 0.00 1.43 -0.00 1.61 0.40 -1.26 -1.84 117.98 118.32 1bwv s PHE 126 Ca 0.00 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1bwv s PHE 126 Cb 0.00 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 1bwv s PHE 126 CO 0.00 0.11 0.26 1.21 0.70 0.00 0.00 175.22 177.50 1bwv s ASN 127 N -1.80 6.50 -0.19 1.36 2.47 0.10 -4.89 114.94 118.49 1bwv s ASN 127 Ca 0.01 0.57 0.01 0.00 0.42 0.00 0.00 52.86 53.87 1bwv s ASN 127 Cb -0.10 -2.09 0.02 0.00 -1.45 0.00 0.00 41.25 37.63 1bwv s ASN 127 CO 0.03 0.27 -0.19 -0.22 -3.72 0.00 0.00 177.10 173.27 1bwv s LEU 128 N -1.66 2.26 -0.16 3.21 2.96 -1.26 -1.82 118.68 122.21 1bwv s LEU 128 Ca 0.26 -0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1bwv s LEU 128 Cb -0.13 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1bwv s LEU 128 CO 0.15 -0.02 0.12 -0.04 -1.32 0.00 0.00 176.35 175.24 1bwv s MET 129 N 1.28 3.79 -0.38 1.98 -1.94 -0.10 -4.97 119.30 118.96 1bwv s MET 129 Ca 0.04 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 1bwv s MET 129 Cb -0.14 -3.27 0.11 0.00 2.01 0.00 0.00 34.83 33.55 1bwv s MET 129 CO -0.12 0.51 0.11 1.03 -0.01 0.00 0.00 175.02 176.54 1bwv s ARG 130 N -0.26 1.49 -0.14 2.03 0.52 -1.26 -2.27 118.95 119.05 1bwv s ARG 130 Ca 0.10 -1.95 -0.19 0.00 -0.52 0.00 0.00 55.73 53.17 1bwv s ARG 130 Cb -0.12 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1bwv s ARG 130 CO 0.01 -0.99 0.52 -1.14 0.02 0.00 0.00 175.30 173.72 1bwv s GLN 131 N 0.70 4.30 -0.01 3.54 0.74 -0.67 -4.94 119.66 123.33 1bwv s GLN 131 Ca 0.12 0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.73 1bwv s GLN 131 Cb -0.21 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1bwv s GLN 131 CO -0.08 0.04 1.00 -1.21 -0.55 0.00 0.00 175.29 174.50 1bwv s GLU 132 N 0.99 4.53 0.00 1.67 2.02 -1.26 -1.22 118.70 125.43 1bwv s GLU 132 Ca 0.27 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1bwv s GLU 132 Cb -0.15 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1bwv s GLU 132 CO 0.11 -0.10 0.00 -3.47 0.02 0.00 0.00 175.26 171.82 1bwv n ASP 133 N 4.02 0.00 -4.74 -0.19 2.03 0.07 -4.93 116.55 112.81 1bwv n ASP 133 Ca 0.07 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.96 1bwv n ASP 133 Cb 0.50 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.87 1bwv n ASP 133 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1bwv s LYS 134 N 4.88 4.44 2.70 -0.67 1.02 -1.26 -4.70 119.74 126.15 1bwv s LYS 134 Ca 0.00 2.00 0.00 0.00 0.02 0.00 0.00 55.97 57.99 1bwv s LYS 134 Cb 0.00 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1bwv s LYS 134 CO 0.00 -0.16 0.00 0.43 -0.92 0.00 0.00 175.35 174.70 1bwv n SER 135 N 2.30 0.00 -0.84 2.83 7.64 -1.26 -1.05 113.62 123.24 1bwv n SER 135 Ca 0.04 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.00 1bwv n SER 135 Cb 0.43 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.83 1bwv n SER 135 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1bwv n ARG 136 N 3.23 2.84 -2.48 1.43 5.12 -1.26 -4.98 116.66 120.56 1bwv n ARG 136 Ca 0.00 -2.23 -0.40 0.00 -1.93 0.00 0.00 57.85 53.29 1bwv n ARG 136 Cb 0.00 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 1bwv n ARG 136 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1bwv s SER 137 N -1.01 7.27 0.05 0.55 0.01 -0.21 -4.95 113.70 115.42 1bwv s SER 137 Ca 0.30 2.26 0.08 0.00 1.31 0.00 0.00 55.95 59.91 1bwv s SER 137 Cb 0.16 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1bwv s SER 137 CO 0.20 -0.14 -0.23 -0.63 0.41 0.00 0.00 173.24 172.86 1bwv s ILE 138 N -1.13 1.83 -0.18 1.44 1.01 -1.26 -0.75 121.20 122.17 1bwv s ILE 138 Ca 0.45 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1bwv s ILE 138 Cb -0.32 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1bwv s ILE 138 CO 0.41 0.23 -0.01 -0.54 0.00 0.00 0.00 174.94 175.03 1bwv s LYS 139 N -1.29 3.69 -0.01 2.79 -0.14 -0.36 -4.94 119.74 119.48 1bwv s LYS 139 Ca 0.09 -0.50 0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1bwv s LYS 139 Cb -0.09 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 1bwv s LYS 139 CO 0.02 0.15 0.00 0.71 -0.76 0.00 0.00 175.35 175.48 1bwv s TYR 140 N 0.63 3.09 -0.10 3.18 1.51 -1.26 -1.67 117.35 122.71 1bwv s TYR 140 Ca -0.01 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1bwv s TYR 140 Cb -0.14 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1bwv s TYR 140 CO 0.02 0.46 -0.12 0.99 -1.11 0.00 0.00 175.55 175.80 1bwv s THR 141 N -1.06 1.25 -0.14 -0.71 2.01 -0.96 -4.98 115.64 111.04 1bwv s THR 141 Ca 0.19 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 1bwv s THR 141 Cb -0.11 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1bwv s THR 141 CO 0.09 0.39 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 1bwv s ILE 142 N 1.21 4.52 -0.09 1.82 1.01 -1.26 -0.92 121.20 127.48 1bwv s ILE 142 Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1bwv s ILE 142 Cb -0.14 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.39 1bwv s ILE 142 CO -0.04 0.52 0.20 -2.28 0.00 0.00 0.00 174.94 173.34 1bwv s HIS 143 N -0.10 -0.25 0.29 3.97 2.46 -0.76 -4.96 115.29 115.94 1bwv s HIS 143 Ca 0.05 0.65 -0.29 0.00 0.47 0.00 0.00 55.06 55.94 1bwv s HIS 143 Cb -0.12 -0.05 -0.10 0.00 -0.13 0.00 0.00 32.58 32.18 1bwv s HIS 143 CO 0.02 -0.22 1.28 -1.54 -2.47 0.00 0.00 174.74 171.80 1bwv s SER 144 N 1.41 6.89 0.25 9.88 1.04 -1.26 -0.72 113.70 131.18 1bwv s SER 144 Ca -0.07 2.55 -0.05 0.00 0.48 0.00 0.00 55.95 58.86 1bwv s SER 144 Cb -0.11 -2.64 0.33 0.00 0.10 0.00 0.00 66.02 63.70 1bwv s SER 144 CO -0.07 -0.47 1.88 1.88 0.98 0.00 0.00 173.24 177.44 1bwv h TYR 145 N 3.97 1.11 0.00 5.02 0.05 -1.71 -1.47 116.97 123.93 1bwv h TYR 145 Ca -0.47 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 1bwv h TYR 145 Cb 1.22 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 38.59 1bwv h TYR 145 CO 0.58 0.60 -0.09 0.93 -1.05 0.00 0.00 178.16 179.13 1bwv h GLU 146 N 1.11 0.00 -0.61 4.88 4.39 -1.92 -1.90 114.58 120.54 1bwv h GLU 146 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1bwv h GLU 146 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1bwv h GLU 146 CO -0.15 0.09 0.00 0.43 -1.16 0.00 0.00 179.01 178.22 1bwv n SER 147 N -4.22 0.61 -0.07 1.42 7.64 -0.56 -1.19 113.62 117.25 1bwv n SER 147 Ca -0.03 -1.96 0.11 0.00 1.01 0.00 0.00 58.87 58.00 1bwv n SER 147 Cb 0.17 -0.31 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 1bwv n SER 147 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bwv n TYR 148 N -0.18 0.00 -3.92 1.43 4.01 -0.71 -4.90 117.16 112.88 1bwv n TYR 148 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1bwv n TYR 148 Cb 0.15 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1bwv n TYR 148 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1bwv s LYS 149 N -2.90 3.42 0.57 -0.72 1.02 -0.33 -5.09 119.74 115.72 1bwv s LYS 149 Ca 0.12 -0.41 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 1bwv s LYS 149 Cb 0.17 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1bwv s LYS 149 CO 0.74 0.63 1.14 -0.35 -0.92 0.00 0.00 175.35 176.59 1bwv n PRO 150 N 0.51 1.22 -0.31 -1.68 -0.04 -1.26 -4.85 135.00 128.59 1bwv n PRO 150 Ca -0.07 0.46 0.15 0.00 -0.04 0.00 0.00 63.50 64.00 1bwv n PRO 150 Cb 0.52 -2.34 0.32 0.00 -0.04 0.00 0.00 33.50 31.96 1bwv n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bwv h GLU 151 N 0.89 0.12 0.00 0.54 4.81 -1.97 0.12 114.58 119.10 1bwv h GLU 151 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1bwv h GLU 151 Cb 1.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1bwv h GLU 151 CO 0.54 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.50 1bwv n ASP 152 N -5.31 0.00 -0.36 1.04 5.75 -1.26 -3.01 116.55 113.41 1bwv n ASP 152 Ca 0.23 0.46 0.04 0.00 -0.01 0.00 0.00 54.79 55.52 1bwv n ASP 152 Cb 0.76 -0.48 0.10 0.00 -1.03 0.00 0.00 41.12 40.47 1bwv n ASP 152 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bwv n GLU 153 N -1.48 2.78 -3.41 0.11 1.02 0.42 -5.02 120.64 115.06 1bwv n GLU 153 Ca 0.04 -1.96 -0.38 0.00 -0.02 0.00 0.00 57.16 54.84 1bwv n GLU 153 Cb 0.18 -1.24 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1bwv n GLU 153 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bwv s ARG 154 N -1.36 4.14 0.00 3.49 0.52 -1.16 -4.91 118.95 119.67 1bwv s ARG 154 Ca 0.17 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 1bwv s ARG 154 Cb 0.11 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1bwv s ARG 154 CO 0.08 0.44 0.00 0.66 0.02 0.00 0.00 175.30 176.49