#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bv3 s TRP 5 N 0.00 2.60 0.00 1.57 1.48 -1.26 -4.86 118.94 118.47 1bv3 s TRP 5 Ca 0.00 1.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 1bv3 s TRP 5 Cb 0.00 -3.04 0.00 0.00 -1.16 0.00 0.00 33.47 29.27 1bv3 s TRP 5 CO 0.00 -1.78 0.00 0.41 -4.06 0.00 0.00 176.95 171.52 1bv3 n GLY 6 N -1.24 1.97 0.21 3.67 0.00 -0.04 -5.05 105.19 104.71 1bv3 n GLY 6 Ca 0.09 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1bv3 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bv3 n TYR 7 N 0.00 0.02 -2.25 1.61 4.01 -1.26 -3.80 117.16 115.48 1bv3 n TYR 7 Ca 0.00 -1.12 -0.25 0.00 -0.16 0.00 0.00 57.90 56.37 1bv3 n TYR 7 Cb 0.00 -0.18 0.16 0.00 -0.31 0.00 0.00 39.34 39.01 1bv3 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bv3 n GLY 8 N -1.35 -0.39 0.30 2.72 0.00 -1.26 -4.70 105.19 100.50 1bv3 n GLY 8 Ca 0.17 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1bv3 n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bv3 h LYS 9 N 0.00 0.89 0.00 1.61 1.63 -1.97 0.23 116.57 118.96 1bv3 h LYS 9 Ca -0.37 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1bv3 h LYS 9 Cb 1.16 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1bv3 h LYS 9 CO 0.32 0.88 -1.01 0.72 -3.45 0.00 0.00 179.45 176.90 1bv3 n HIS 10 N -4.21 0.54 -2.17 1.91 8.25 -1.26 -4.31 115.22 113.97 1bv3 n HIS 10 Ca 0.03 0.16 0.04 0.00 -0.26 0.00 0.00 57.72 57.69 1bv3 n HIS 10 Cb 0.31 -0.66 0.07 0.00 1.12 0.00 0.00 29.99 30.82 1bv3 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1bv3 n ASN 11 N -2.25 1.10 -3.00 0.41 6.94 -1.13 -4.95 115.26 112.38 1bv3 n ASN 11 Ca 0.01 -2.48 -0.10 0.00 -0.02 0.00 0.00 54.58 51.99 1bv3 n ASN 11 Cb 0.48 -0.35 0.06 0.00 -2.36 0.00 0.00 39.78 37.62 1bv3 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bv3 n GLY 12 N -0.01 0.19 0.41 4.83 0.00 0.80 -0.86 105.19 110.54 1bv3 n GLY 12 Ca 0.09 -1.91 0.29 0.00 0.00 0.00 0.00 46.02 44.49 1bv3 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bv3 h PRO 13 N 0.00 0.22 0.00 1.61 0.11 -1.84 0.29 132.00 132.38 1bv3 h PRO 13 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1bv3 h PRO 13 Cb 0.51 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1bv3 h PRO 13 CO 0.14 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.23 1bv3 n GLU 14 N -4.80 0.73 -0.01 1.05 0.00 -1.26 -2.81 120.64 113.54 1bv3 n GLU 14 Ca 0.33 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.59 1bv3 n GLU 14 Cb 1.16 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.95 1bv3 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bv3 n HIS 15 N -1.03 0.00 -0.07 -1.84 8.25 0.10 -4.61 115.22 116.02 1bv3 n HIS 15 Ca 0.18 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.82 1bv3 n HIS 15 Cb 0.10 -0.45 0.62 0.00 1.12 0.00 0.00 29.99 31.37 1bv3 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bv3 h TRP 16 N 0.00 0.19 0.00 4.41 6.55 -1.44 -1.85 115.95 123.81 1bv3 h TRP 16 Ca -0.00 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1bv3 h TRP 16 Cb 0.91 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 29.15 1bv3 h TRP 16 CO 0.00 0.07 -0.03 1.12 -1.05 0.00 0.00 178.44 178.55 1bv3 h HIS 17 N 0.16 0.00 -0.54 0.49 2.07 -1.80 0.41 115.15 115.95 1bv3 h HIS 17 Ca 0.30 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.79 1bv3 h HIS 17 Cb 0.98 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.93 1bv3 h HIS 17 CO -0.00 0.03 0.18 0.87 -3.07 0.00 0.00 177.93 175.94 1bv3 h LYS 18 N 0.00 0.79 0.00 5.12 1.57 -1.68 -2.84 116.57 119.53 1bv3 h LYS 18 Ca -0.00 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1bv3 h LYS 18 Cb 0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1bv3 h LYS 18 CO 0.00 0.67 -1.78 -0.25 -0.57 0.00 0.00 179.45 177.53 1bv3 n ASP 19 N -4.32 0.32 -3.52 0.86 8.00 -0.82 -4.75 116.55 112.32 1bv3 n ASP 19 Ca 0.04 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 1bv3 n ASP 19 Cb 0.18 1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 42.36 1bv3 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bv3 s PHE 20 N -3.19 1.42 0.66 1.24 0.08 0.07 -4.99 117.98 113.26 1bv3 s PHE 20 Ca -0.06 -2.26 0.39 0.00 0.12 0.00 0.00 56.93 55.11 1bv3 s PHE 20 Cb 0.11 -1.29 2.15 0.00 -0.57 0.00 0.00 43.02 43.42 1bv3 s PHE 20 CO 0.86 -0.79 2.24 -1.35 -0.10 0.00 0.00 175.22 176.08 1bv3 h PRO 21 N 6.18 0.00 0.00 0.24 0.11 -1.75 0.85 132.00 137.63 1bv3 h PRO 21 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1bv3 h PRO 21 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1bv3 h PRO 21 CO 0.40 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.16 1bv3 h ILE 22 N 0.00 0.00 -0.41 4.15 2.10 -1.91 -2.17 117.51 119.28 1bv3 h ILE 22 Ca 0.01 -0.10 0.12 0.00 1.08 0.00 0.00 64.86 65.97 1bv3 h ILE 22 Cb 0.20 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 36.66 1bv3 h ILE 22 CO -0.00 0.00 0.49 0.00 -1.08 0.00 0.00 178.15 177.56 1bv3 h ALA 23 N 2.07 2.09 -0.49 0.18 0.00 -1.15 0.41 119.26 122.37 1bv3 h ALA 23 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1bv3 h ALA 23 Cb 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1bv3 h ALA 23 CO 0.00 -0.70 0.11 1.63 0.00 0.00 0.00 179.25 180.29 1bv3 n LYS 24 N -3.57 2.77 -0.53 0.00 5.02 -0.81 -4.97 118.16 116.07 1bv3 n LYS 24 Ca 0.07 -3.04 -0.12 0.00 -2.02 0.00 0.00 58.31 53.21 1bv3 n LYS 24 Cb 0.66 -1.97 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1bv3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bv3 n GLY 25 N -0.65 -2.18 0.08 0.72 0.00 0.14 -5.00 105.19 98.31 1bv3 n GLY 25 Ca 0.34 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1bv3 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bv3 h GLU 26 N 0.00 0.00 -1.32 1.61 4.39 -1.95 -3.37 114.58 113.93 1bv3 h GLU 26 Ca -0.17 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.06 1bv3 h GLU 26 Cb 0.50 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.74 1bv3 h GLU 26 CO 0.11 0.00 -0.98 2.89 -1.16 0.00 0.00 179.01 179.87 1bv3 n ARG 27 N -2.32 2.15 -3.17 2.33 1.85 -1.26 -4.65 116.66 111.58 1bv3 n ARG 27 Ca 0.02 -3.84 -0.30 0.00 -1.00 0.00 0.00 57.85 52.73 1bv3 n ARG 27 Cb 0.48 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 1bv3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bv3 s GLN 28 N -3.27 3.72 0.24 2.89 -1.52 -1.26 -2.40 119.66 118.06 1bv3 s GLN 28 Ca 0.37 0.22 0.11 0.00 -1.95 0.00 0.00 55.36 54.11 1bv3 s GLN 28 Cb 0.42 -2.55 -0.05 0.00 -0.22 0.00 0.00 33.01 30.61 1bv3 s GLN 28 CO -0.07 0.14 -0.20 -1.12 -0.25 0.00 0.00 175.29 173.79 1bv3 s SER 29 N -3.03 3.30 0.92 5.90 0.01 -1.26 -4.69 113.70 114.85 1bv3 s SER 29 Ca 0.47 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 1bv3 s SER 29 Cb -0.11 -0.25 0.16 0.00 0.21 0.00 0.00 66.02 66.03 1bv3 s SER 29 CO 0.29 0.01 1.23 -2.16 0.41 0.00 0.00 173.24 173.02 1bv3 s PRO 30 N -3.32 1.04 0.31 12.44 0.04 -1.26 -4.65 135.00 139.61 1bv3 s PRO 30 Ca 0.26 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.22 1bv3 s PRO 30 Cb -0.05 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1bv3 s PRO 30 CO 0.12 -2.19 0.15 0.14 0.04 0.00 0.00 177.00 175.26 1bv3 s VAL 31 N -3.64 0.40 0.16 -0.36 -7.23 -1.26 -1.26 120.40 107.21 1bv3 s VAL 31 Ca 0.68 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 1bv3 s VAL 31 Cb -0.08 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.27 1bv3 s VAL 31 CO 0.52 0.00 0.58 -0.62 -0.31 0.00 0.00 175.10 175.27 1bv3 s ASP 32 N -3.39 6.88 -0.45 4.85 2.15 -1.26 -3.14 116.67 122.31 1bv3 s ASP 32 Ca 0.35 1.15 -0.17 0.00 0.43 0.00 0.00 52.55 54.30 1bv3 s ASP 32 Cb 0.05 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1bv3 s ASP 32 CO 0.17 0.10 0.48 -0.63 -0.17 0.00 0.00 175.17 175.12 1bv3 s ILE 33 N -1.46 5.06 -0.51 4.11 1.01 0.99 -4.93 121.20 125.46 1bv3 s ILE 33 Ca 0.38 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1bv3 s ILE 33 Cb -0.15 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1bv3 s ILE 33 CO 0.19 -0.55 0.86 -0.62 0.00 0.00 0.00 174.94 174.82 1bv3 s ASP 34 N 2.17 6.36 0.37 3.58 2.15 -1.26 0.13 116.67 130.18 1bv3 s ASP 34 Ca 0.11 -0.29 0.28 0.00 0.43 0.00 0.00 52.55 53.08 1bv3 s ASP 34 Cb -0.19 -2.41 1.05 0.00 -0.30 0.00 0.00 42.92 41.08 1bv3 s ASP 34 CO 0.12 -1.07 1.81 0.71 -0.17 0.00 0.00 175.17 176.57 1bv3 h THR 35 N 6.00 0.00 -0.01 1.71 1.35 -1.94 -1.17 112.91 118.85 1bv3 h THR 35 Ca -0.26 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1bv3 h THR 35 Cb 1.08 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1bv3 h THR 35 CO 1.03 0.00 -0.19 1.41 -0.25 0.00 0.00 175.52 177.51 1bv3 n HIS 36 N -2.62 0.00 0.13 4.73 8.25 -1.26 -3.92 115.22 120.52 1bv3 n HIS 36 Ca 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1bv3 n HIS 36 Cb 0.30 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1bv3 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bv3 n THR 37 N -0.61 0.00 -1.69 1.59 -1.04 -0.59 -5.02 114.28 106.93 1bv3 n THR 37 Ca 0.14 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.05 61.49 1bv3 n THR 37 Cb 0.33 0.85 0.06 0.00 -1.82 0.00 0.00 70.33 69.75 1bv3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bv3 s ALA 38 N -1.58 2.40 -0.02 2.41 0.00 -0.55 -4.78 121.76 119.64 1bv3 s ALA 38 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1bv3 s ALA 38 Cb 0.03 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1bv3 s ALA 38 CO 0.15 -1.40 -0.13 0.21 0.00 0.00 0.00 175.76 174.59 1bv3 s LYS 39 N -4.07 1.14 0.35 0.00 2.36 -1.00 -4.94 119.74 113.58 1bv3 s LYS 39 Ca 0.68 -0.46 -0.27 0.00 -2.55 0.00 0.00 55.97 53.37 1bv3 s LYS 39 Cb -0.22 -1.08 -0.09 0.00 -1.05 0.00 0.00 37.83 35.39 1bv3 s LYS 39 CO 0.42 0.25 1.20 -0.47 1.55 0.00 0.00 175.35 178.30 1bv3 s TYR 40 N -0.17 3.17 -0.24 4.03 5.04 -1.26 -1.41 117.35 126.50 1bv3 s TYR 40 Ca 0.02 1.54 -0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1bv3 s TYR 40 Cb -0.07 -3.46 0.07 0.00 0.35 0.00 0.00 41.96 38.85 1bv3 s TYR 40 CO -0.00 -1.32 -0.01 0.34 -1.34 0.00 0.00 175.55 173.22 1bv3 s ASP 41 N -0.88 3.72 0.00 4.32 -1.08 -0.81 -4.86 116.67 117.08 1bv3 s ASP 41 Ca 0.52 -1.21 0.17 0.00 -0.52 0.00 0.00 52.55 51.50 1bv3 s ASP 41 Cb -0.34 -1.04 0.75 0.00 -1.46 0.00 0.00 42.92 40.84 1bv3 s ASP 41 CO 0.43 -0.28 1.53 -0.81 0.52 0.00 0.00 175.17 176.56 1bv3 n PRO 42 N 4.75 0.07 0.00 4.34 -0.04 -1.26 -2.29 135.00 140.56 1bv3 n PRO 42 Ca -0.09 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1bv3 n PRO 42 Cb 0.44 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 1bv3 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bv3 n SER 43 N -1.44 0.63 -4.74 3.54 3.41 -1.26 -4.84 113.62 108.92 1bv3 n SER 43 Ca 0.05 -0.41 -0.41 0.00 -0.26 0.00 0.00 58.87 57.84 1bv3 n SER 43 Cb 0.18 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1bv3 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bv3 s LEU 44 N -2.84 4.51 0.32 1.04 1.43 -0.97 -5.05 118.68 117.13 1bv3 s LEU 44 Ca 0.15 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1bv3 s LEU 44 Cb 0.18 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1bv3 s LEU 44 CO 0.64 -0.17 0.48 -0.54 0.23 0.00 0.00 176.35 176.99 1bv3 s LYS 45 N -0.64 3.32 0.54 1.70 1.02 -1.23 -4.99 119.74 119.47 1bv3 s LYS 45 Ca 0.48 -0.66 -0.22 0.00 0.02 0.00 0.00 55.97 55.59 1bv3 s LYS 45 Cb -0.29 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1bv3 s LYS 45 CO 0.36 0.16 1.33 -2.14 -0.92 0.00 0.00 175.35 174.14 1bv3 s PRO 46 N -4.20 3.18 0.47 -1.68 0.02 -1.26 -2.61 135.00 128.91 1bv3 s PRO 46 Ca 0.40 2.17 -0.23 0.00 0.02 0.00 0.00 61.00 63.36 1bv3 s PRO 46 Cb -0.09 -2.25 -0.07 0.00 0.02 0.00 0.00 34.50 32.11 1bv3 s PRO 46 CO 0.33 -1.14 1.16 -0.51 -0.33 0.00 0.00 177.00 176.51 1bv3 s LEU 47 N -3.52 3.99 -0.26 -5.54 1.43 -1.26 -1.63 118.68 111.88 1bv3 s LEU 47 Ca 0.71 2.29 0.02 0.00 -1.03 0.00 0.00 54.13 56.12 1bv3 s LEU 47 Cb -0.39 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.61 1bv3 s LEU 47 CO 0.46 -0.94 -0.09 -0.55 0.23 0.00 0.00 176.35 175.46 1bv3 s SER 48 N -1.40 4.41 -0.34 2.29 0.15 -0.06 -4.87 113.70 113.88 1bv3 s SER 48 Ca 0.64 -1.27 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 1bv3 s SER 48 Cb -0.28 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 1bv3 s SER 48 CO 0.34 -0.18 0.18 -0.69 1.20 0.00 0.00 173.24 174.08 1bv3 s VAL 49 N 1.16 4.58 -0.58 4.45 1.01 -1.26 -1.91 120.40 127.85 1bv3 s VAL 49 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1bv3 s VAL 49 Cb -0.19 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 32.89 1bv3 s VAL 49 CO -0.05 -0.08 0.36 -0.44 0.00 0.00 0.00 175.10 174.89 1bv3 s SER 50 N 1.58 4.86 0.00 3.32 0.01 0.82 -4.89 113.70 119.39 1bv3 s SER 50 Ca 0.03 -2.92 0.11 0.00 1.31 0.00 0.00 55.95 54.49 1bv3 s SER 50 Cb -0.18 -1.76 0.29 0.00 0.21 0.00 0.00 66.02 64.57 1bv3 s SER 50 CO 0.06 -0.31 1.21 -1.22 0.41 0.00 0.00 173.24 173.39 1bv3 n TYR 51 N 3.33 0.42 0.08 2.43 4.01 -1.26 -1.48 117.16 124.69 1bv3 n TYR 51 Ca 0.07 -0.43 0.03 0.00 -0.16 0.00 0.00 57.90 57.41 1bv3 n TYR 51 Cb 0.36 -0.02 0.43 0.00 -0.31 0.00 0.00 39.34 39.79 1bv3 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bv3 h ASP 52 N 2.13 0.33 -0.93 7.72 2.03 -1.90 -2.06 116.42 123.73 1bv3 h ASP 52 Ca 0.00 -0.03 -0.46 0.00 -0.73 0.00 0.00 57.03 55.80 1bv3 h ASP 52 Cb 0.71 -0.08 -0.28 0.00 -0.83 0.00 0.00 39.33 38.85 1bv3 h ASP 52 CO 0.00 0.34 0.57 0.00 -1.03 0.00 0.00 179.24 179.12 1bv3 n GLN 53 N -4.39 2.39 -1.77 4.15 1.13 -1.13 -5.00 117.38 112.75 1bv3 n GLN 53 Ca 0.01 -3.03 -0.41 0.00 -1.94 0.00 0.00 57.00 51.62 1bv3 n GLN 53 Cb 0.16 -2.16 -0.01 0.00 0.11 0.00 0.00 30.24 28.33 1bv3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bv3 s ALA 54 N -3.26 3.72 -0.44 -1.58 0.00 -0.78 -4.62 121.76 114.80 1bv3 s ALA 54 Ca 0.56 1.58 0.03 0.00 0.00 0.00 0.00 51.96 54.13 1bv3 s ALA 54 Cb 0.47 -3.65 0.12 0.00 0.00 0.00 0.00 23.12 20.06 1bv3 s ALA 54 CO 0.11 -1.00 0.18 0.99 0.00 0.00 0.00 175.76 176.04 1bv3 s THR 55 N -0.17 2.63 0.47 0.00 2.01 -1.26 -4.90 115.64 114.41 1bv3 s THR 55 Ca 0.62 -2.77 -0.20 0.00 0.31 0.00 0.00 61.69 59.64 1bv3 s THR 55 Cb -0.48 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1bv3 s THR 55 CO 0.50 -0.71 1.00 -0.94 -0.69 0.00 0.00 174.62 173.78 1bv3 s SER 56 N 0.49 6.59 0.00 3.53 1.04 -1.26 -1.15 113.70 122.94 1bv3 s SER 56 Ca 0.14 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.38 1bv3 s SER 56 Cb -0.22 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1bv3 s SER 56 CO -0.04 -0.60 0.00 0.18 0.98 0.00 0.00 173.24 173.76 1bv3 n LEU 57 N -0.88 0.18 -3.63 2.42 4.77 0.79 -4.03 117.00 116.61 1bv3 n LEU 57 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1bv3 n LEU 57 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1bv3 n LEU 57 CO 0.39 0.02 0.16 -0.60 -1.33 0.00 0.00 177.39 176.02 1bv3 s ARG 58 N -2.00 1.06 0.02 3.23 3.52 -1.20 -0.99 118.95 122.59 1bv3 s ARG 58 Ca 0.00 -0.71 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1bv3 s ARG 58 Cb 0.00 0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1bv3 s ARG 58 CO 0.00 -0.42 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.37 1bv3 s ILE 59 N -3.80 1.60 -0.04 4.11 2.07 -0.23 0.01 121.20 124.92 1bv3 s ILE 59 Ca 0.03 -1.05 -0.03 0.00 -1.41 0.00 0.00 60.65 58.19 1bv3 s ILE 59 Cb 0.02 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.26 1bv3 s ILE 59 CO -0.12 0.29 0.10 -0.22 -1.91 0.00 0.00 174.94 173.08 1bv3 s LEU 60 N -0.89 1.45 -0.29 8.50 2.96 -0.36 -1.14 118.68 128.90 1bv3 s LEU 60 Ca 0.07 0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.97 1bv3 s LEU 60 Cb -0.08 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.89 1bv3 s LEU 60 CO 0.01 -0.06 0.64 0.21 -1.32 0.00 0.00 176.35 175.83 1bv3 s ASN 61 N 0.31 6.53 -0.04 3.68 3.84 -0.45 -0.59 114.94 128.23 1bv3 s ASN 61 Ca -0.02 0.53 0.18 0.00 0.21 0.00 0.00 52.86 53.77 1bv3 s ASN 61 Cb -0.03 -2.34 0.58 0.00 -0.55 0.00 0.00 41.25 38.91 1bv3 s ASN 61 CO -0.01 -0.45 1.49 -0.46 -2.79 0.00 0.00 177.10 174.88 1bv3 n ASN 62 N 5.85 3.94 0.00 -4.21 0.23 -0.85 -0.94 115.26 119.28 1bv3 n ASN 62 Ca -0.01 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 1bv3 n ASN 62 Cb 0.49 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1bv3 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bv3 n GLY 63 N 1.14 0.62 0.00 4.83 0.00 -1.26 -4.59 105.19 105.93 1bv3 n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bv3 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bv3 n HIS 64 N -2.02 0.00 0.00 1.61 -0.00 -1.26 -4.71 115.22 108.84 1bv3 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1bv3 n HIS 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1bv3 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bv3 n ALA 65 N 0.00 0.00 -2.82 1.59 0.00 1.48 -4.91 120.51 115.85 1bv3 n ALA 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1bv3 n ALA 65 Cb 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 1bv3 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bv3 s PHE 66 N -2.00 2.77 -0.08 0.00 -0.12 -1.26 -2.02 117.98 115.26 1bv3 s PHE 66 Ca 0.00 -0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 56.43 1bv3 s PHE 66 Cb 0.00 -1.75 -0.03 0.00 -0.63 0.00 0.00 43.02 40.61 1bv3 s PHE 66 CO 0.00 -0.04 0.01 -0.80 -0.05 0.00 0.00 175.22 174.34 1bv3 s ASN 67 N -0.12 5.26 -0.26 1.98 0.02 0.24 -4.25 114.94 117.81 1bv3 s ASN 67 Ca -0.01 0.15 -0.10 0.00 -1.02 0.00 0.00 52.86 51.87 1bv3 s ASN 67 Cb -0.14 -1.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.60 1bv3 s ASN 67 CO 0.03 0.38 0.16 -0.69 0.02 0.00 0.00 177.10 177.00 1bv3 s VAL 68 N -0.89 5.20 0.07 1.60 1.01 0.45 -1.22 120.40 126.62 1bv3 s VAL 68 Ca 0.13 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1bv3 s VAL 68 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1bv3 s VAL 68 CO 0.03 0.30 0.11 -1.61 0.00 0.00 0.00 175.10 173.92 1bv3 s GLU 69 N 1.44 3.02 0.15 2.72 2.02 0.10 -1.45 118.70 126.70 1bv3 s GLU 69 Ca 0.07 -0.61 0.10 0.00 0.02 0.00 0.00 54.97 54.54 1bv3 s GLU 69 Cb -0.15 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1bv3 s GLU 69 CO 0.08 0.58 -0.22 -0.06 0.02 0.00 0.00 175.26 175.66 1bv3 s PHE 70 N -1.39 2.02 -0.13 1.61 0.40 -0.22 -0.15 117.98 120.12 1bv3 s PHE 70 Ca 0.30 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1bv3 s PHE 70 Cb -0.12 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 1bv3 s PHE 70 CO 0.22 0.35 1.44 0.34 0.70 0.00 0.00 175.22 178.28 1bv3 s ASP 71 N -2.42 6.80 -0.18 1.36 2.15 -0.30 -4.82 116.67 119.27 1bv3 s ASP 71 Ca 0.15 1.90 0.16 0.00 0.43 0.00 0.00 52.55 55.19 1bv3 s ASP 71 Cb -0.08 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 1bv3 s ASP 71 CO 0.07 -0.86 1.33 -0.90 -0.17 0.00 0.00 175.17 174.65 1bv3 n ASP 72 N 6.93 3.14 0.00 -0.34 5.75 -1.26 -4.62 116.55 126.15 1bv3 n ASP 72 Ca 0.15 -3.17 0.15 0.00 -0.01 0.00 0.00 54.79 51.92 1bv3 n ASP 72 Cb 0.44 -0.52 0.92 0.00 -1.03 0.00 0.00 41.12 40.93 1bv3 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bv3 n SER 73 N -0.91 0.00 -3.78 -1.12 3.41 -1.26 -4.85 113.62 105.11 1bv3 n SER 73 Ca 0.21 -0.98 -0.09 0.00 -0.26 0.00 0.00 58.87 57.75 1bv3 n SER 73 Cb 0.82 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 1bv3 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bv3 s GLN 74 N -2.00 1.37 -1.37 4.33 -0.21 -1.26 -5.09 119.66 115.43 1bv3 s GLN 74 Ca 0.46 -0.92 -0.15 0.00 0.02 0.00 0.00 55.36 54.77 1bv3 s GLN 74 Cb 0.21 0.50 0.01 0.00 1.00 0.00 0.00 33.01 34.73 1bv3 s GLN 74 CO 0.36 -0.58 2.23 -0.25 -2.12 0.00 0.00 175.29 174.93 1bv3 n ASP 75 N -0.33 3.97 -0.01 5.90 8.00 -1.26 -4.63 116.55 128.18 1bv3 n ASP 75 Ca -0.09 -2.80 -0.02 0.00 0.71 0.00 0.00 54.79 52.59 1bv3 n ASP 75 Cb 0.62 -1.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.03 1bv3 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bv3 n LYS 76 N 6.07 0.64 -3.37 -1.24 5.02 -1.26 -4.79 118.16 119.24 1bv3 n LYS 76 Ca 0.53 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1bv3 n LYS 76 Cb 0.38 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 1bv3 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bv3 s ALA 77 N -2.87 -0.82 0.14 7.82 0.00 -1.26 -2.84 121.76 121.93 1bv3 s ALA 77 Ca -0.05 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1bv3 s ALA 77 Cb 0.09 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1bv3 s ALA 77 CO 0.83 -1.59 -0.11 0.14 0.00 0.00 0.00 175.76 175.03 1bv3 s VAL 78 N 2.46 1.19 -0.06 0.00 -7.23 -0.55 -1.32 120.40 114.89 1bv3 s VAL 78 Ca 0.10 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1bv3 s VAL 78 Cb -0.14 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1bv3 s VAL 78 CO -0.27 -0.70 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.38 1bv3 s LEU 79 N -3.06 2.01 0.30 1.32 2.96 -0.61 -0.13 118.68 121.47 1bv3 s LEU 79 Ca 0.15 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1bv3 s LEU 79 Cb 0.01 -1.25 -0.00 0.00 0.50 0.00 0.00 46.19 45.45 1bv3 s LEU 79 CO 0.01 0.19 0.44 -1.59 -1.32 0.00 0.00 176.35 174.08 1bv3 s LYS 80 N 0.04 1.72 1.76 1.98 -2.85 -0.80 -1.30 119.74 120.28 1bv3 s LYS 80 Ca -0.07 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 1bv3 s LYS 80 Cb -0.14 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1bv3 s LYS 80 CO 0.04 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.20 1bv3 n GLY 81 N -0.47 -1.48 7.00 0.59 0.00 -1.26 -0.88 105.19 108.69 1bv3 n GLY 81 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1bv3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bv3 n GLY 82 N 0.00 2.01 0.64 -0.02 0.00 -0.65 -1.52 105.19 105.65 1bv3 n GLY 82 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.54 1bv3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bv3 n PRO 83 N 10.60 1.81 -3.52 1.61 -0.04 -1.26 -3.52 135.00 140.69 1bv3 n PRO 83 Ca 0.00 -1.25 -0.34 0.00 -0.04 0.00 0.00 63.50 61.86 1bv3 n PRO 83 Cb 0.00 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1bv3 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bv3 s LEU 84 N -1.17 4.33 -0.21 1.53 1.43 -0.58 -5.07 118.68 118.94 1bv3 s LEU 84 Ca 0.27 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1bv3 s LEU 84 Cb 0.14 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1bv3 s LEU 84 CO 0.19 0.13 0.04 -1.81 0.23 0.00 0.00 176.35 175.13 1bv3 s ASP 85 N -1.85 5.14 0.00 2.29 1.01 -1.26 -4.21 116.67 117.79 1bv3 s ASP 85 Ca 0.36 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.49 1bv3 s ASP 85 Cb -0.14 -1.89 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1bv3 s ASP 85 CO 0.19 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.25 1bv3 n GLY 86 N 4.25 -3.27 3.76 0.21 0.00 -1.26 -4.93 105.19 103.95 1bv3 n GLY 86 Ca -0.17 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 1bv3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bv3 s THR 87 N -0.85 4.94 -0.04 2.61 2.01 -1.26 -4.52 115.64 118.53 1bv3 s THR 87 Ca 0.00 -0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1bv3 s THR 87 Cb 0.00 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1bv3 s THR 87 CO 0.00 0.59 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.95 1bv3 s TYR 88 N -0.75 2.39 -0.05 4.92 1.51 -0.42 -2.26 117.35 122.70 1bv3 s TYR 88 Ca 0.12 -0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 55.51 1bv3 s TYR 88 Cb -0.12 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1bv3 s TYR 88 CO 0.03 -0.15 0.19 1.03 -1.11 0.00 0.00 175.55 175.53 1bv3 s ARG 89 N -0.33 3.48 0.04 -0.62 0.52 0.79 -1.57 118.95 121.26 1bv3 s ARG 89 Ca 0.02 -0.17 -0.31 0.00 -0.52 0.00 0.00 55.73 54.75 1bv3 s ARG 89 Cb -0.12 -3.14 -0.06 0.00 0.52 0.00 0.00 34.95 32.15 1bv3 s ARG 89 CO 0.02 0.71 1.24 -1.17 0.02 0.00 0.00 175.30 176.13 1bv3 s LEU 90 N -1.50 4.35 -0.09 2.53 2.96 -0.43 -1.66 118.68 124.84 1bv3 s LEU 90 Ca 0.22 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 56.19 1bv3 s LEU 90 Cb -0.13 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 1bv3 s LEU 90 CO 0.12 -0.53 -0.06 0.00 -1.32 0.00 0.00 176.35 174.56 1bv3 n ILE 91 N 4.11 0.54 -3.53 6.68 3.06 -0.57 -4.55 119.36 125.09 1bv3 n ILE 91 Ca 0.10 -0.24 -0.09 0.00 -2.50 0.00 0.00 62.75 60.03 1bv3 n ILE 91 Cb 0.46 -0.83 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 1bv3 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bv3 s GLN 92 N -2.19 0.99 0.16 9.51 1.03 -1.23 -1.05 119.66 126.88 1bv3 s GLN 92 Ca -0.10 -0.40 0.05 0.00 0.04 0.00 0.00 55.36 54.95 1bv3 s GLN 92 Cb 0.03 0.43 -0.05 0.00 0.03 0.00 0.00 33.01 33.46 1bv3 s GLN 92 CO 0.24 -0.44 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.86 1bv3 s PHE 93 N -3.29 1.38 0.25 9.60 -0.12 -0.53 -0.93 117.98 124.34 1bv3 s PHE 93 Ca 0.05 -0.73 -0.20 0.00 -0.05 0.00 0.00 56.93 56.01 1bv3 s PHE 93 Cb -0.01 -0.69 0.02 0.00 -0.63 0.00 0.00 43.02 41.71 1bv3 s PHE 93 CO -0.08 0.14 0.65 -3.38 -0.05 0.00 0.00 175.22 172.50 1bv3 s HIS 94 N -3.25 -0.15 0.38 3.49 -3.43 -0.83 -0.41 115.29 111.08 1bv3 s HIS 94 Ca 0.19 -0.25 0.08 0.00 -0.80 0.00 0.00 55.06 54.28 1bv3 s HIS 94 Cb 0.02 0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 31.69 1bv3 s HIS 94 CO 0.02 -1.13 0.01 -0.06 -2.00 0.00 0.00 174.74 171.59 1bv3 s PHE 95 N -3.91 2.51 -0.04 0.38 0.40 -1.26 -1.11 117.98 114.95 1bv3 s PHE 95 Ca 0.11 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1bv3 s PHE 95 Cb -0.04 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1bv3 s PHE 95 CO 0.04 0.45 -0.08 -1.01 0.70 0.00 0.00 175.22 175.31 1bv3 s HIS 96 N -2.63 1.01 0.29 0.36 3.76 -0.70 -4.75 115.29 112.63 1bv3 s HIS 96 Ca 0.35 -0.30 -0.07 0.00 -0.15 0.00 0.00 55.06 54.89 1bv3 s HIS 96 Cb 0.05 -0.77 -0.00 0.00 1.11 0.00 0.00 32.58 32.97 1bv3 s HIS 96 CO 0.19 -0.17 0.45 1.67 -0.85 0.00 0.00 174.74 176.02 1bv3 s TRP 97 N 0.54 0.78 0.54 1.40 -2.14 -1.22 -1.20 118.94 117.65 1bv3 s TRP 97 Ca -0.09 -1.08 0.01 0.00 2.66 0.00 0.00 56.10 57.61 1bv3 s TRP 97 Cb -0.12 -0.00 0.01 0.00 -3.10 0.00 0.00 33.47 30.26 1bv3 s TRP 97 CO 0.01 -1.05 0.12 0.41 -2.66 0.00 0.00 176.95 173.79 1bv3 n GLY 98 N -0.46 3.31 0.16 3.67 0.00 -1.16 -1.76 105.19 108.95 1bv3 n GLY 98 Ca -0.00 -2.36 0.12 0.00 0.00 0.00 0.00 46.02 43.78 1bv3 n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bv3 h SER 99 N 1.10 0.00 -4.25 1.61 4.64 -1.89 -3.39 113.55 111.37 1bv3 h SER 99 Ca -0.42 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 60.61 1bv3 h SER 99 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.27 1bv3 h SER 99 CO 0.68 0.00 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.18 1bv3 s LEU 100 N -5.42 2.49 0.19 5.97 1.43 -1.26 -5.05 118.68 117.02 1bv3 s LEU 100 Ca 0.08 -1.03 0.20 0.00 -1.03 0.00 0.00 54.13 52.36 1bv3 s LEU 100 Cb 0.08 -0.22 0.87 0.00 0.03 0.00 0.00 46.19 46.96 1bv3 s LEU 100 CO 0.65 -0.41 1.63 0.47 0.23 0.00 0.00 176.35 178.92 1bv3 n ASP 101 N -0.15 0.47 -0.43 2.29 8.00 -1.26 -2.66 116.55 122.81 1bv3 n ASP 101 Ca -0.11 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.10 1bv3 n ASP 101 Cb 0.61 -0.72 0.32 0.00 -0.02 0.00 0.00 41.12 41.31 1bv3 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bv3 n GLY 102 N -0.10 0.03 3.30 0.44 0.00 -1.26 -3.77 105.19 103.82 1bv3 n GLY 102 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1bv3 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bv3 s GLN 103 N -1.78 1.04 0.00 1.61 -2.07 -1.09 -4.69 119.66 112.67 1bv3 s GLN 103 Ca 0.27 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 1bv3 s GLN 103 Cb 0.14 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1bv3 s GLN 103 CO 0.21 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 1bv3 n GLY 104 N -0.17 1.98 3.77 2.60 0.00 -1.05 -3.05 105.19 109.28 1bv3 n GLY 104 Ca -0.12 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1bv3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bv3 s SER 105 N 0.00 4.77 -0.25 1.61 1.04 -0.45 -3.37 113.70 117.05 1bv3 s SER 105 Ca 0.00 1.87 -0.17 0.00 0.48 0.00 0.00 55.95 58.13 1bv3 s SER 105 Cb 0.00 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.44 1bv3 s SER 105 CO 0.00 -1.86 -0.11 -0.62 0.98 0.00 0.00 173.24 171.63 1bv3 n GLU 106 N -3.12 0.58 -1.76 4.02 1.02 -1.26 -4.84 120.64 115.28 1bv3 n GLU 106 Ca 0.09 0.40 -0.32 0.00 -0.02 0.00 0.00 57.16 57.32 1bv3 n GLU 106 Cb 0.53 -1.60 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1bv3 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bv3 s HIS 107 N -2.45 3.07 0.25 -0.32 3.76 -1.26 -4.47 115.29 113.86 1bv3 s HIS 107 Ca -0.34 1.46 0.04 0.00 -0.15 0.00 0.00 55.06 56.07 1bv3 s HIS 107 Cb 0.11 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 1bv3 s HIS 107 CO 0.53 -1.18 -0.01 0.95 -0.85 0.00 0.00 174.74 174.18 1bv3 s THR 108 N -2.82 1.18 -0.21 1.30 -4.23 -1.19 -4.74 115.64 104.94 1bv3 s THR 108 Ca 0.60 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1bv3 s THR 108 Cb -0.15 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.33 1bv3 s THR 108 CO 0.48 -0.29 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.45 1bv3 s VAL 109 N -3.32 1.83 -1.45 2.29 1.01 -0.69 -0.01 120.40 120.06 1bv3 s VAL 109 Ca 0.29 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1bv3 s VAL 109 Cb 0.05 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1bv3 s VAL 109 CO 0.10 0.22 1.02 0.47 0.00 0.00 0.00 175.10 176.91 1bv3 n ASP 110 N 4.62 -4.87 0.00 3.32 8.00 0.12 -1.44 116.55 126.30 1bv3 n ASP 110 Ca -0.16 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1bv3 n ASP 110 Cb 0.46 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1bv3 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bv3 n LYS 111 N -4.73 -0.45 -2.52 -1.24 4.76 -1.26 -4.99 118.16 107.73 1bv3 n LYS 111 Ca -0.01 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 1bv3 n LYS 111 Cb 0.55 -3.94 -0.03 0.00 -1.84 0.00 0.00 35.03 29.77 1bv3 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bv3 s LYS 112 N -0.86 4.43 -0.12 1.97 2.20 -0.52 -5.00 119.74 121.84 1bv3 s LYS 112 Ca 0.00 1.64 -0.08 0.00 -0.36 0.00 0.00 55.97 57.17 1bv3 s LYS 112 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1bv3 s LYS 112 CO 0.00 -0.28 0.15 0.15 -0.36 0.00 0.00 175.35 175.01 1bv3 s LYS 113 N 1.50 3.55 0.48 4.03 1.02 -1.26 -1.71 119.74 127.34 1bv3 s LYS 113 Ca 0.56 -0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.51 1bv3 s LYS 113 Cb -0.25 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1bv3 s LYS 113 CO 0.26 0.72 0.65 0.71 -0.92 0.00 0.00 175.35 176.77 1bv3 s TYR 114 N -0.87 2.45 0.01 3.18 2.02 -1.26 -4.74 117.35 118.14 1bv3 s TYR 114 Ca 0.15 -0.44 0.24 0.00 -0.37 0.00 0.00 57.07 56.65 1bv3 s TYR 114 Cb -0.12 -2.39 0.81 0.00 -0.40 0.00 0.00 41.96 39.87 1bv3 s TYR 114 CO 0.04 -0.67 1.78 0.00 -1.57 0.00 0.00 175.55 175.13 1bv3 h ALA 115 N 0.45 0.97 -2.34 3.71 0.00 -1.41 -1.12 119.26 119.52 1bv3 h ALA 115 Ca -0.38 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.55 1bv3 h ALA 115 Cb 1.28 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1bv3 h ALA 115 CO 0.44 0.24 0.57 0.00 0.00 0.00 0.00 179.25 180.51 1bv3 s ALA 116 N -3.50 -1.70 -0.18 0.00 0.00 -1.18 -2.97 121.76 112.22 1bv3 s ALA 116 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1bv3 s ALA 116 Cb 0.09 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.95 1bv3 s ALA 116 CO 0.64 -1.06 0.43 -2.00 0.00 0.00 0.00 175.76 173.77 1bv3 s GLU 117 N -2.64 0.40 -0.03 0.00 2.12 -0.34 -1.89 118.70 116.32 1bv3 s GLU 117 Ca 0.17 0.86 -0.16 0.00 0.36 0.00 0.00 54.97 56.20 1bv3 s GLU 117 Cb -0.01 0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1bv3 s GLU 117 CO 0.03 -0.17 0.44 -1.17 -0.54 0.00 0.00 175.26 173.85 1bv3 s LEU 118 N 1.62 4.42 -0.17 2.70 2.96 -0.20 -1.73 118.68 128.28 1bv3 s LEU 118 Ca -0.08 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1bv3 s LEU 118 Cb -0.09 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 43.99 1bv3 s LEU 118 CO -0.13 0.22 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.98 1bv3 s HIS 119 N -0.56 2.34 -0.30 5.38 3.76 -0.26 -1.28 115.29 124.37 1bv3 s HIS 119 Ca 0.25 -1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 53.65 1bv3 s HIS 119 Cb -0.16 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 1bv3 s HIS 119 CO 0.13 -0.71 0.18 -0.51 -0.85 0.00 0.00 174.74 172.97 1bv3 s LEU 120 N 1.43 4.08 -0.16 0.89 1.02 -0.49 -1.97 118.68 123.48 1bv3 s LEU 120 Ca 0.03 -0.27 -0.07 0.00 0.02 0.00 0.00 54.13 53.84 1bv3 s LEU 120 Cb -0.14 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 1bv3 s LEU 120 CO -0.10 -0.13 0.08 -0.69 0.02 0.00 0.00 176.35 175.53 1bv3 s VAL 121 N 1.69 4.99 0.06 -1.59 1.01 -0.10 -0.68 120.40 125.78 1bv3 s VAL 121 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1bv3 s VAL 121 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1bv3 s VAL 121 CO 0.09 0.51 -0.11 -1.00 0.00 0.00 0.00 175.10 174.59 1bv3 s HIS 122 N -0.07 0.94 0.05 5.22 3.76 -0.14 -1.52 115.29 123.54 1bv3 s HIS 122 Ca 0.08 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.55 1bv3 s HIS 122 Cb -0.12 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 1bv3 s HIS 122 CO 0.01 -0.02 -0.19 1.67 -0.85 0.00 0.00 174.74 175.36 1bv3 s TRP 123 N -1.46 1.69 -0.37 1.40 1.48 -0.66 -1.06 118.94 119.96 1bv3 s TRP 123 Ca -0.05 -0.38 -0.28 0.00 -1.06 0.00 0.00 56.10 54.34 1bv3 s TRP 123 Cb -0.09 -0.99 -0.03 0.00 -1.16 0.00 0.00 33.47 31.19 1bv3 s TRP 123 CO 0.01 0.10 2.00 1.21 -4.06 0.00 0.00 176.95 176.21 1bv3 s ASN 124 N -1.28 5.47 0.00 -2.66 3.84 -0.40 -0.15 114.94 119.75 1bv3 s ASN 124 Ca 0.06 1.25 0.10 0.00 0.21 0.00 0.00 52.86 54.48 1bv3 s ASN 124 Cb -0.09 -2.52 0.49 0.00 -0.55 0.00 0.00 41.25 38.59 1bv3 s ASN 124 CO 0.02 -2.05 1.21 0.35 -2.79 0.00 0.00 177.10 173.84 1bv3 n THR 125 N 7.55 0.82 0.28 -5.21 -2.24 -0.96 -2.34 114.28 112.19 1bv3 n THR 125 Ca 0.26 0.20 0.17 0.00 -2.27 0.00 0.00 64.05 62.41 1bv3 n THR 125 Cb 0.48 -1.04 0.82 0.00 -2.10 0.00 0.00 70.33 68.50 1bv3 n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bv3 h LYS 127 N 0.00 0.00 -0.02 -0.78 2.10 -1.91 -2.13 116.57 113.83 1bv3 h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bv3 h LYS 127 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1bv3 h LYS 127 CO 0.00 0.06 -0.04 0.66 -2.00 0.00 0.00 179.45 178.13 1bv3 n TYR 128 N -3.31 0.00 0.00 0.07 4.01 -0.99 -5.00 117.16 111.94 1bv3 n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1bv3 n TYR 128 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1bv3 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bv3 n GLY 129 N 1.23 1.35 3.36 2.72 0.00 -0.80 -4.55 105.19 108.50 1bv3 n GLY 129 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1bv3 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bv3 s ASP 130 N 0.00 -0.00 0.31 1.61 1.47 -1.26 -5.05 116.67 113.75 1bv3 s ASP 130 Ca 0.00 -0.79 0.02 0.00 1.18 0.00 0.00 52.55 52.96 1bv3 s ASP 130 Cb 0.00 0.45 0.58 0.00 -0.34 0.00 0.00 42.92 43.61 1bv3 s ASP 130 CO 0.00 -0.91 1.92 0.15 0.68 0.00 0.00 175.17 177.01 1bv3 h PHE 131 N 2.50 0.98 -0.86 2.11 3.57 -1.94 -2.15 116.94 121.15 1bv3 h PHE 131 Ca -0.31 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1bv3 h PHE 131 Cb 1.23 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1bv3 h PHE 131 CO 0.39 0.51 0.47 0.78 -2.23 0.00 0.00 178.31 178.23 1bv3 h GLY 132 N 0.97 1.28 2.00 2.40 0.00 -1.96 -1.85 103.07 105.91 1bv3 h GLY 132 Ca 0.37 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1bv3 h GLY 132 CO -0.14 0.56 -0.72 0.50 0.00 0.00 0.00 176.54 176.75 1bv3 h LYS 133 N 1.20 0.00 -0.69 4.80 1.79 -1.74 -3.27 116.57 118.66 1bv3 h LYS 133 Ca 0.30 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.83 1bv3 h LYS 133 Cb 0.03 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1bv3 h LYS 133 CO -0.05 0.72 0.45 0.00 -1.08 0.00 0.00 179.45 179.49 1bv3 h ALA 134 N 1.28 1.71 -0.04 3.86 0.00 -0.73 -2.49 119.26 122.86 1bv3 h ALA 134 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bv3 h ALA 134 Cb 1.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bv3 h ALA 134 CO 0.09 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.87 1bv3 n VAL 135 N -4.47 0.15 -0.36 0.00 0.24 -0.76 -2.00 118.33 111.13 1bv3 n VAL 135 Ca 0.10 -0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.36 1bv3 n VAL 135 Cb 0.20 -0.40 0.11 0.00 -1.47 0.00 0.00 33.84 32.29 1bv3 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bv3 n GLN 136 N -0.03 2.70 -4.30 7.34 1.13 -0.94 -4.95 117.38 118.33 1bv3 n GLN 136 Ca 0.02 -2.04 -0.24 0.00 -1.94 0.00 0.00 57.00 52.79 1bv3 n GLN 136 Cb 0.26 -1.29 -0.12 0.00 0.11 0.00 0.00 30.24 29.20 1bv3 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1bv3 s GLN 137 N -1.53 1.17 0.56 -1.09 -1.52 -0.85 -5.03 119.66 111.37 1bv3 s GLN 137 Ca 0.19 -1.20 0.34 0.00 -1.95 0.00 0.00 55.36 52.73 1bv3 s GLN 137 Cb 0.13 -1.45 1.52 0.00 -0.22 0.00 0.00 33.01 33.00 1bv3 s GLN 137 CO 0.07 0.34 2.05 -1.00 -0.25 0.00 0.00 175.29 176.50 1bv3 h PRO 138 N 3.99 0.00 -0.33 2.91 0.13 -1.86 -2.65 132.00 134.19 1bv3 h PRO 138 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 1bv3 h PRO 138 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1bv3 h PRO 138 CO 0.40 0.04 -0.64 -0.40 -0.23 0.00 0.00 178.00 177.17 1bv3 n ASP 139 N -3.19 3.12 0.13 1.44 5.75 -1.26 -4.32 116.55 118.21 1bv3 n ASP 139 Ca -0.00 -3.83 0.00 0.00 -0.01 0.00 0.00 54.79 50.94 1bv3 n ASP 139 Cb 0.27 -0.45 0.10 0.00 -1.03 0.00 0.00 41.12 40.01 1bv3 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bv3 h GLY 140 N 1.52 0.00 -3.31 6.12 0.00 -1.31 -3.43 103.07 102.66 1bv3 h GLY 140 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.19 1bv3 h GLY 140 CO 0.33 0.00 -0.72 1.08 0.00 0.00 0.00 176.54 177.23 1bv3 s LEU 141 N -6.90 2.46 -0.04 3.11 1.43 0.06 -1.28 118.68 117.52 1bv3 s LEU 141 Ca 0.01 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1bv3 s LEU 141 Cb 0.10 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 46.06 1bv3 s LEU 141 CO 0.75 -0.32 -0.05 0.00 0.23 0.00 0.00 176.35 176.96 1bv3 s ALA 142 N -2.90 0.72 -0.07 4.21 0.00 -0.22 -0.49 121.76 123.01 1bv3 s ALA 142 Ca 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1bv3 s ALA 142 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1bv3 s ALA 142 CO -0.01 0.02 -0.20 0.08 0.00 0.00 0.00 175.76 175.65 1bv3 s VAL 143 N 0.80 1.72 -0.34 0.00 1.01 -0.66 -0.97 120.40 121.95 1bv3 s VAL 143 Ca -0.11 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1bv3 s VAL 143 Cb -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1bv3 s VAL 143 CO 0.01 0.48 0.34 -0.22 0.00 0.00 0.00 175.10 175.71 1bv3 s LEU 144 N 0.17 4.42 -0.14 3.92 2.96 0.14 -1.68 118.68 128.47 1bv3 s LEU 144 Ca -0.10 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1bv3 s LEU 144 Cb -0.15 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 1bv3 s LEU 144 CO 0.05 -0.31 0.01 -0.83 -1.32 0.00 0.00 176.35 173.94 1bv3 s GLY 145 N 1.73 1.83 -0.07 7.98 0.00 0.66 -1.40 107.32 118.04 1bv3 s GLY 145 Ca 0.11 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1bv3 s GLY 145 CO 0.11 -0.17 -0.12 -0.42 0.00 0.00 0.00 173.10 172.50 1bv3 s ILE 146 N -0.01 1.14 0.54 0.90 1.01 -0.40 -1.01 121.20 123.36 1bv3 s ILE 146 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1bv3 s ILE 146 Cb -0.13 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1bv3 s ILE 146 CO 0.02 0.36 0.93 -0.36 0.00 0.00 0.00 174.94 175.89 1bv3 s PHE 147 N 0.77 3.56 -0.11 3.97 0.08 -1.26 -1.03 117.98 123.96 1bv3 s PHE 147 Ca -0.13 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1bv3 s PHE 147 Cb -0.15 -2.60 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 1bv3 s PHE 147 CO 0.02 -0.46 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.07 1bv3 s LEU 148 N -4.70 1.37 0.21 -0.37 1.02 -0.79 -1.34 118.68 114.08 1bv3 s LEU 148 Ca 0.53 -0.34 0.06 0.00 0.02 0.00 0.00 54.13 54.41 1bv3 s LEU 148 Cb -0.11 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1bv3 s LEU 148 CO 0.45 -0.08 0.15 -1.59 0.02 0.00 0.00 176.35 175.30 1bv3 s LYS 149 N 1.45 2.84 -0.09 1.70 -2.85 -0.33 -1.68 119.74 120.79 1bv3 s LYS 149 Ca 0.01 -1.01 -0.19 0.00 -1.00 0.00 0.00 55.97 53.77 1bv3 s LYS 149 Cb -0.13 -2.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 1bv3 s LYS 149 CO -0.06 0.43 0.54 0.08 0.10 0.00 0.00 175.35 176.44 1bv3 s VAL 150 N -1.97 5.12 0.00 1.79 1.01 -1.26 -1.43 120.40 123.65 1bv3 s VAL 150 Ca 0.32 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1bv3 s VAL 150 Cb -0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1bv3 s VAL 150 CO 0.24 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1bv3 n GLY 151 N 3.10 0.70 3.79 4.51 0.00 -0.01 -4.89 105.19 112.39 1bv3 n GLY 151 Ca -0.06 0.45 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 1bv3 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bv3 s SER 152 N 2.00 6.08 0.47 1.61 0.01 -1.26 -4.05 113.70 118.56 1bv3 s SER 152 Ca 0.00 2.01 -0.23 0.00 1.31 0.00 0.00 55.95 59.04 1bv3 s SER 152 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1bv3 s SER 152 CO 0.00 -0.97 1.23 0.00 0.41 0.00 0.00 173.24 173.91 1bv3 s ALA 153 N -1.94 2.98 -0.42 1.44 0.00 -1.26 -2.63 121.76 119.92 1bv3 s ALA 153 Ca 0.69 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 1bv3 s ALA 153 Cb -0.19 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.53 1bv3 s ALA 153 CO 0.24 -0.85 0.29 0.21 0.00 0.00 0.00 175.76 175.65 1bv3 s LYS 154 N -2.68 2.89 0.26 0.00 2.47 -1.24 -4.80 119.74 116.64 1bv3 s LYS 154 Ca 0.64 -1.17 -0.02 0.00 -1.56 0.00 0.00 55.97 53.86 1bv3 s LYS 154 Cb -0.33 -3.93 0.51 0.00 -1.46 0.00 0.00 37.83 32.62 1bv3 s LYS 154 CO 0.40 -0.83 1.76 -1.35 0.16 0.00 0.00 175.35 175.49 1bv3 h PRO 155 N 8.58 0.60 0.00 4.03 0.11 -1.92 0.56 132.00 143.96 1bv3 h PRO 155 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1bv3 h PRO 155 Cb 1.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1bv3 h PRO 155 CO 0.75 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1bv3 n GLY 156 N -1.32 -0.90 0.05 -0.55 0.00 -1.26 -1.93 105.19 99.28 1bv3 n GLY 156 Ca 0.16 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1bv3 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bv3 n LEU 157 N -1.45 0.44 -0.10 0.99 7.94 0.18 -4.48 117.00 120.52 1bv3 n LEU 157 Ca 0.04 0.11 0.04 0.00 -1.11 0.00 0.00 56.01 55.09 1bv3 n LEU 157 Cb 0.14 -0.04 0.37 0.00 0.53 0.00 0.00 43.42 44.42 1bv3 n LEU 157 CO 0.12 -0.06 1.20 -0.61 -1.11 0.00 0.00 177.39 176.92 1bv3 h GLN 158 N 0.00 0.69 0.00 1.96 5.75 -1.35 -1.05 115.11 121.11 1bv3 h GLN 158 Ca 0.00 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1bv3 h GLN 158 Cb 0.95 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 1bv3 h GLN 158 CO 0.00 0.46 -0.30 0.87 -2.65 0.00 0.00 178.83 177.20 1bv3 h LYS 159 N 0.71 0.00 -0.07 1.69 1.57 -1.78 -1.39 116.57 117.30 1bv3 h LYS 159 Ca 0.23 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1bv3 h LYS 159 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1bv3 h LYS 159 CO -0.06 0.30 -0.14 0.28 -0.57 0.00 0.00 179.45 179.27 1bv3 h VAL 160 N 0.00 1.41 -0.87 0.50 2.07 -1.49 -3.16 116.25 114.71 1bv3 h VAL 160 Ca -0.00 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.17 1bv3 h VAL 160 Cb 0.57 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1bv3 h VAL 160 CO 0.04 0.40 0.56 0.58 0.02 0.00 0.00 177.57 179.17 1bv3 h VAL 161 N -0.27 0.98 0.00 2.57 2.07 -0.99 -2.55 116.25 118.06 1bv3 h VAL 161 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1bv3 h VAL 161 Cb 0.72 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1bv3 h VAL 161 CO 0.03 0.16 0.00 0.44 0.02 0.00 0.00 177.57 178.22 1bv3 h ASP 162 N 0.87 0.00 0.13 0.57 3.32 -1.23 -2.80 116.42 117.28 1bv3 h ASP 162 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1bv3 h ASP 162 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bv3 h ASP 162 CO -0.16 0.00 -0.83 0.55 -1.72 0.00 0.00 179.24 177.07 1bv3 n VAL 163 N -2.55 0.00 -0.23 -1.35 3.14 -0.97 -4.43 118.33 111.93 1bv3 n VAL 163 Ca 0.04 -0.02 0.15 0.00 -2.96 0.00 0.00 64.34 61.54 1bv3 n VAL 163 Cb 0.38 0.82 0.45 0.00 -1.06 0.00 0.00 33.84 34.42 1bv3 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bv3 h LEU 164 N 0.16 0.52 -1.95 6.55 3.38 -1.44 -1.24 115.31 121.28 1bv3 h LEU 164 Ca 0.00 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1bv3 h LEU 164 Cb 0.51 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1bv3 h LEU 164 CO 0.00 0.25 0.56 0.44 0.09 0.00 0.00 178.44 179.78 1bv3 h ASP 165 N 0.54 0.04 0.04 -0.43 5.19 -1.79 -1.80 116.42 118.21 1bv3 h ASP 165 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1bv3 h ASP 165 Cb 0.86 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1bv3 h ASP 165 CO -0.18 0.02 -0.08 -1.54 -3.12 0.00 0.00 179.24 174.34 1bv3 n SER 166 N -4.32 1.62 -2.60 6.45 3.41 -0.47 -3.89 113.62 113.81 1bv3 n SER 166 Ca 0.16 -1.42 -0.13 0.00 -0.26 0.00 0.00 58.87 57.21 1bv3 n SER 166 Cb 0.82 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.85 1bv3 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bv3 n ILE 167 N 0.13 1.47 -0.02 -1.33 -5.35 -0.68 -4.68 119.36 108.90 1bv3 n ILE 167 Ca 0.16 -3.59 0.02 0.00 -0.27 0.00 0.00 62.75 59.07 1bv3 n ILE 167 Cb 0.39 0.15 0.34 0.00 -1.74 0.00 0.00 39.64 38.78 1bv3 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bv3 h LYS 168 N 2.79 0.57 -5.92 6.28 3.64 -1.66 -3.42 116.57 118.87 1bv3 h LYS 168 Ca 0.03 -0.08 -0.62 0.00 -1.27 0.00 0.00 60.65 58.71 1bv3 h LYS 168 Cb 1.15 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.72 1bv3 h LYS 168 CO 0.56 0.48 -0.68 0.95 -2.27 0.00 0.00 179.45 178.50 1bv3 s THR 169 N -5.26 2.22 0.24 1.00 -4.23 -1.26 -1.00 115.64 107.34 1bv3 s THR 169 Ca -0.08 -2.20 -0.31 0.00 -1.18 0.00 0.00 61.69 57.92 1bv3 s THR 169 Cb 0.16 -2.65 -0.12 0.00 1.34 0.00 0.00 72.50 71.23 1bv3 s THR 169 CO 0.75 -0.20 1.69 1.17 -0.54 0.00 0.00 174.62 177.50 1bv3 n LYS 170 N -0.79 2.77 0.00 3.99 4.81 -0.08 -2.82 118.16 126.04 1bv3 n LYS 170 Ca -0.05 1.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1bv3 n LYS 170 Cb 0.64 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1bv3 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bv3 n GLY 171 N 3.41 2.22 3.75 3.14 0.00 -0.11 0.43 105.19 118.03 1bv3 n GLY 171 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1bv3 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bv3 s LYS 172 N -0.77 4.78 0.06 1.61 1.02 -1.13 -4.72 119.74 120.60 1bv3 s LYS 172 Ca 0.00 1.60 -0.00 0.00 0.02 0.00 0.00 55.97 57.59 1bv3 s LYS 172 Cb 0.00 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1bv3 s LYS 172 CO 0.00 0.41 -0.04 -1.54 -0.92 0.00 0.00 175.35 173.26 1bv3 s SER 173 N -1.07 0.66 -0.05 2.83 1.04 -1.26 -1.34 113.70 114.51 1bv3 s SER 173 Ca 0.42 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 1bv3 s SER 173 Cb -0.28 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.01 1bv3 s SER 173 CO 0.35 -0.54 0.14 0.00 0.98 0.00 0.00 173.24 174.17 1bv3 s ALA 174 N -3.65 -0.35 0.23 5.32 0.00 -0.30 -4.93 121.76 118.09 1bv3 s ALA 174 Ca 0.07 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 1bv3 s ALA 174 Cb 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 23.12 22.83 1bv3 s ALA 174 CO -0.08 -0.08 1.20 -0.25 0.00 0.00 0.00 175.76 176.56 1bv3 n ASP 175 N 2.88 1.84 -3.10 0.00 8.00 -1.26 -1.06 116.55 123.85 1bv3 n ASP 175 Ca -0.13 1.16 -0.20 0.00 0.71 0.00 0.00 54.79 56.32 1bv3 n ASP 175 Cb 0.59 -1.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.33 1bv3 n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1bv3 n PHE 176 N 1.21 -0.97 -3.25 1.24 7.35 -0.16 -4.73 117.46 118.15 1bv3 n PHE 176 Ca 0.12 -3.20 -0.23 0.00 -0.76 0.00 0.00 57.45 53.38 1bv3 n PHE 176 Cb 0.29 0.06 -0.00 0.00 0.35 0.00 0.00 39.48 40.18 1bv3 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bv3 s THR 177 N -0.86 4.59 -1.48 -2.13 -4.23 -1.26 -3.21 115.64 107.05 1bv3 s THR 177 Ca 0.35 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1bv3 s THR 177 Cb 0.20 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.39 1bv3 s THR 177 CO -0.13 -0.43 0.74 0.59 -0.54 0.00 0.00 174.62 174.84 1bv3 n ASN 178 N -1.88 -5.71 -4.81 3.99 4.13 -1.26 -4.96 115.26 104.77 1bv3 n ASN 178 Ca -0.02 -0.39 -0.38 0.00 1.68 0.00 0.00 54.58 55.47 1bv3 n ASN 178 Cb 0.57 -4.59 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 1bv3 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1bv3 s PHE 179 N -3.18 3.66 -0.36 3.10 5.36 -1.26 -5.00 117.98 120.30 1bv3 s PHE 179 Ca 0.41 0.90 -0.09 0.00 -0.96 0.00 0.00 56.93 57.19 1bv3 s PHE 179 Cb -0.19 -2.30 0.03 0.00 -0.34 0.00 0.00 43.02 40.23 1bv3 s PHE 179 CO 0.50 0.55 0.17 0.34 -1.46 0.00 0.00 175.22 175.32 1bv3 s ASP 180 N -0.70 5.56 0.29 6.13 -1.08 -1.26 -4.45 116.67 121.16 1bv3 s ASP 180 Ca 0.22 -1.08 0.22 0.00 -0.52 0.00 0.00 52.55 51.40 1bv3 s ASP 180 Cb -0.16 -1.96 1.06 0.00 -1.46 0.00 0.00 42.92 40.41 1bv3 s ASP 180 CO 0.11 -0.37 1.68 -0.81 0.52 0.00 0.00 175.17 176.30 1bv3 n PRO 181 N 4.92 0.17 0.31 4.34 -0.04 -1.26 -2.38 135.00 141.06 1bv3 n PRO 181 Ca -0.12 0.53 0.20 0.00 -0.04 0.00 0.00 63.50 64.06 1bv3 n PRO 181 Cb 0.45 -1.91 1.03 0.00 -0.04 0.00 0.00 33.50 33.04 1bv3 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bv3 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.64 114.38 114.44 1bv3 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bv3 h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1bv3 h ARG 182 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1bv3 n GLY 183 N -0.88 -1.01 0.38 0.04 0.00 -1.00 -2.50 105.19 100.23 1bv3 n GLY 183 Ca -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1bv3 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bv3 n LEU 184 N -1.24 1.76 -4.87 0.99 4.77 -0.61 -4.38 117.00 113.40 1bv3 n LEU 184 Ca 0.12 -0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 55.13 1bv3 n LEU 184 Cb 0.17 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1bv3 n LEU 184 CO 0.17 0.34 0.52 -0.76 -1.33 0.00 0.00 177.39 176.33 1bv3 s LEU 185 N -2.58 3.68 0.89 2.23 1.43 -1.04 -4.95 118.68 118.34 1bv3 s LEU 185 Ca 0.17 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 1bv3 s LEU 185 Cb 0.18 -4.14 0.17 0.00 0.03 0.00 0.00 46.19 42.43 1bv3 s LEU 185 CO 0.63 -0.53 1.23 -2.16 0.23 0.00 0.00 176.35 175.75 1bv3 s PRO 186 N -4.23 1.05 0.02 1.29 0.04 -1.26 -4.98 135.00 126.93 1bv3 s PRO 186 Ca 0.52 -0.48 -0.25 0.00 0.04 0.00 0.00 61.00 60.83 1bv3 s PRO 186 Cb -0.10 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 1bv3 s PRO 186 CO 0.37 -2.09 1.46 1.49 0.04 0.00 0.00 177.00 178.27 1bv3 h GLU 187 N -1.32 0.01 -6.53 4.56 4.81 -1.91 -3.44 114.58 110.75 1bv3 h GLU 187 Ca -0.43 -0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.27 1bv3 h GLU 187 Cb 1.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1bv3 h GLU 187 CO 0.42 0.30 -0.07 0.45 -0.73 0.00 0.00 179.01 179.38 1bv3 s SER 188 N -5.50 6.60 -0.21 1.04 0.15 -1.26 -5.01 113.70 109.51 1bv3 s SER 188 Ca -0.15 0.95 0.14 0.00 0.70 0.00 0.00 55.95 57.60 1bv3 s SER 188 Cb 0.03 -2.24 0.50 0.00 -1.71 0.00 0.00 66.02 62.61 1bv3 s SER 188 CO 0.67 -0.15 1.41 0.18 1.20 0.00 0.00 173.24 176.55 1bv3 n LEU 189 N -0.45 3.84 -4.75 3.45 4.77 -1.26 -4.75 117.00 117.86 1bv3 n LEU 189 Ca 0.01 -3.27 -0.37 0.00 -0.03 0.00 0.00 56.01 52.35 1bv3 n LEU 189 Cb 0.53 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1bv3 n LEU 189 CO 0.45 0.86 0.90 -1.81 -1.33 0.00 0.00 177.39 176.47 1bv3 s ASP 190 N -2.21 5.12 0.26 -1.43 1.01 -1.26 -4.78 116.67 113.38 1bv3 s ASP 190 Ca 0.42 2.56 -0.12 0.00 0.71 0.00 0.00 52.55 56.13 1bv3 s ASP 190 Cb 0.36 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 1bv3 s ASP 190 CO 0.05 -1.65 0.48 -0.72 0.21 0.00 0.00 175.17 173.54 1bv3 s TYR 191 N -1.44 0.45 0.13 4.23 -0.85 -1.26 -1.22 117.35 117.38 1bv3 s TYR 191 Ca 0.76 -0.80 0.08 0.00 -0.52 0.00 0.00 57.07 56.59 1bv3 s TYR 191 Cb -0.35 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1bv3 s TYR 191 CO 0.39 -1.01 -0.10 -1.58 -1.52 0.00 0.00 175.55 171.73 1bv3 s TRP 192 N -3.88 2.70 0.01 -3.49 0.51 -0.50 -0.79 118.94 113.50 1bv3 s TRP 192 Ca 0.24 -0.18 0.00 0.00 -2.12 0.00 0.00 56.10 54.04 1bv3 s TRP 192 Cb -0.01 -1.39 -0.01 0.00 -0.81 0.00 0.00 33.47 31.26 1bv3 s TRP 192 CO 0.10 0.45 -0.03 -0.08 -0.51 0.00 0.00 176.95 176.89 1bv3 s THR 193 N -1.36 0.13 0.03 2.01 -1.32 0.11 -0.93 115.64 114.31 1bv3 s THR 193 Ca 0.22 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.83 1bv3 s THR 193 Cb -0.10 -0.21 0.07 0.00 -1.51 0.00 0.00 72.50 70.75 1bv3 s THR 193 CO 0.14 -0.29 0.67 -0.72 -2.21 0.00 0.00 174.62 172.21 1bv3 s TYR 194 N -0.91 -0.59 0.02 9.09 1.13 -1.08 -1.68 117.35 123.34 1bv3 s TYR 194 Ca -0.09 0.77 -0.28 0.00 -1.41 0.00 0.00 57.07 56.06 1bv3 s TYR 194 Cb -0.06 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1bv3 s TYR 194 CO -0.01 -0.69 0.88 -1.25 -2.51 0.00 0.00 175.55 171.98 1bv3 s PRO 195 N -2.23 4.55 0.00 -3.49 0.04 -1.26 -1.44 135.00 131.17 1bv3 s PRO 195 Ca -0.05 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1bv3 s PRO 195 Cb -0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1bv3 s PRO 195 CO 0.00 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1bv3 n GLY 196 N 2.69 4.36 3.37 0.56 0.00 0.54 -4.85 105.19 111.86 1bv3 n GLY 196 Ca 0.02 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1bv3 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bv3 s SER 197 N 1.57 1.75 0.70 1.61 1.04 -1.01 -2.42 113.70 116.93 1bv3 s SER 197 Ca 0.00 -1.54 -0.13 0.00 0.48 0.00 0.00 55.95 54.75 1bv3 s SER 197 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1bv3 s SER 197 CO 0.00 -0.85 1.11 -0.76 0.98 0.00 0.00 173.24 173.71 1bv3 s LEU 198 N -3.41 3.27 0.00 2.42 1.43 -0.35 -4.49 118.68 117.55 1bv3 s LEU 198 Ca 0.34 1.95 0.21 0.00 -1.03 0.00 0.00 54.13 55.60 1bv3 s LEU 198 Cb 0.05 -4.54 0.25 0.00 0.03 0.00 0.00 46.19 41.98 1bv3 s LEU 198 CO 0.17 -1.78 1.24 0.35 0.23 0.00 0.00 176.35 176.55 1bv3 n THR 199 N -2.80 0.18 -4.30 5.49 -2.24 -1.26 -4.40 114.28 104.95 1bv3 n THR 199 Ca 0.10 -0.59 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1bv3 n THR 199 Cb 0.52 1.28 -0.12 0.00 -2.10 0.00 0.00 70.33 69.91 1bv3 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bv3 s THR 200 N -1.65 1.73 0.25 4.28 -4.23 -1.26 -4.77 115.64 109.98 1bv3 s THR 200 Ca 0.29 -1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1bv3 s THR 200 Cb 0.19 -1.63 -0.14 0.00 1.34 0.00 0.00 72.50 72.25 1bv3 s THR 200 CO 0.28 -0.14 1.11 -2.65 -0.54 0.00 0.00 174.62 172.67 1bv3 n PRO 201 N 0.85 1.39 -0.03 3.99 -0.02 -1.26 -0.61 135.00 139.31 1bv3 n PRO 201 Ca -0.18 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1bv3 n PRO 201 Cb 0.55 -1.94 0.43 0.00 -0.02 0.00 0.00 33.50 32.52 1bv3 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bv3 n PRO 202 N 1.18 1.23 -2.26 0.52 -0.04 -1.26 -5.00 135.00 129.37 1bv3 n PRO 202 Ca 0.11 -0.35 -0.11 0.00 -0.04 0.00 0.00 63.50 63.11 1bv3 n PRO 202 Cb 0.30 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1bv3 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bv3 n LEU 203 N -0.41 -1.59 -4.76 1.53 4.77 0.22 -4.90 117.00 111.86 1bv3 n LEU 203 Ca 0.13 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1bv3 n LEU 203 Cb 0.14 -1.84 -0.03 0.00 -2.33 0.00 0.00 43.42 39.36 1bv3 n LEU 203 CO 0.10 -0.09 0.92 -0.76 -1.33 0.00 0.00 177.39 176.23 1bv3 s LEU 204 N -3.34 4.46 0.00 2.23 1.43 -1.26 -4.47 118.68 117.73 1bv3 s LEU 204 Ca 0.02 2.50 -0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1bv3 s LEU 204 Cb -0.01 -3.63 -0.16 0.00 0.03 0.00 0.00 46.19 42.42 1bv3 s LEU 204 CO 0.02 -0.41 2.49 -0.62 0.23 0.00 0.00 176.35 178.06 1bv3 n GLU 205 N 1.31 1.29 -0.07 1.70 1.02 -1.26 -1.21 120.64 123.42 1bv3 n GLU 205 Ca 0.01 -0.59 0.03 0.00 -0.02 0.00 0.00 57.16 56.59 1bv3 n GLU 205 Cb 0.43 -1.74 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 1bv3 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bv3 s VAL 207 N -0.87 4.37 -0.30 0.00 1.01 -1.01 -0.76 120.40 122.84 1bv3 s VAL 207 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1bv3 s VAL 207 Cb 0.06 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1bv3 s VAL 207 CO 0.08 0.50 0.19 -0.89 0.00 0.00 0.00 175.10 174.98 1bv3 s THR 208 N 0.19 5.13 0.09 3.92 2.01 0.36 -0.34 115.64 127.00 1bv3 s THR 208 Ca 0.01 -0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 1bv3 s THR 208 Cb -0.13 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 1bv3 s THR 208 CO 0.02 0.15 0.59 0.26 -0.69 0.00 0.00 174.62 174.95 1bv3 s TRP 209 N 1.72 3.82 -0.26 4.92 0.52 -0.52 -1.66 118.94 127.47 1bv3 s TRP 209 Ca 0.06 1.31 -0.01 0.00 0.02 0.00 0.00 56.10 57.49 1bv3 s TRP 209 Cb -0.17 -2.53 0.08 0.00 -1.15 0.00 0.00 33.47 29.71 1bv3 s TRP 209 CO 0.10 0.58 0.04 0.42 0.02 0.00 0.00 176.95 178.10 1bv3 s ILE 210 N -1.13 1.04 -0.30 2.03 1.01 -0.67 -2.62 121.20 120.57 1bv3 s ILE 210 Ca 0.30 -1.18 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1bv3 s ILE 210 Cb -0.20 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1bv3 s ILE 210 CO 0.20 -0.39 0.12 -0.69 0.00 0.00 0.00 174.94 174.18 1bv3 s VAL 211 N 1.58 4.39 0.15 2.92 1.01 -0.10 -0.25 120.40 130.10 1bv3 s VAL 211 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1bv3 s VAL 211 Cb -0.18 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1bv3 s VAL 211 CO -0.14 0.12 1.11 -0.76 0.00 0.00 0.00 175.10 175.42 1bv3 s LEU 212 N 1.59 4.47 0.25 3.92 1.43 -0.18 -1.41 118.68 128.74 1bv3 s LEU 212 Ca 0.04 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1bv3 s LEU 212 Cb -0.17 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 42.76 1bv3 s LEU 212 CO 0.05 -0.26 1.75 0.50 0.23 0.00 0.00 176.35 178.62 1bv3 h LYS 213 N 5.45 0.84 -5.58 1.70 3.64 -1.51 -3.43 116.57 117.69 1bv3 h LYS 213 Ca -0.44 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.12 1bv3 h LYS 213 Cb 1.21 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.83 1bv3 h LYS 213 CO 0.74 0.83 0.18 -2.00 -2.27 0.00 0.00 179.45 176.93 1bv3 s GLU 214 N -5.03 4.15 0.90 1.90 2.12 -1.26 -5.02 118.70 116.46 1bv3 s GLU 214 Ca -0.10 0.61 -0.11 0.00 0.36 0.00 0.00 54.97 55.73 1bv3 s GLU 214 Cb 0.15 -3.63 0.13 0.00 0.26 0.00 0.00 34.13 31.04 1bv3 s GLU 214 CO 0.82 -0.37 1.09 -1.25 -0.54 0.00 0.00 175.26 175.00 1bv3 s PRO 215 N 2.37 1.24 0.18 4.30 0.04 -1.26 -4.68 135.00 137.19 1bv3 s PRO 215 Ca 0.28 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1bv3 s PRO 215 Cb -0.16 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1bv3 s PRO 215 CO 0.09 -2.26 0.23 0.96 0.04 0.00 0.00 177.00 176.06 1bv3 s ILE 216 N -2.92 4.91 -0.05 0.56 -4.36 -0.45 -4.88 121.20 114.02 1bv3 s ILE 216 Ca 0.63 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 60.05 1bv3 s ILE 216 Cb -0.18 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 1bv3 s ILE 216 CO 0.57 -0.17 0.06 -0.44 0.24 0.00 0.00 174.94 175.21 1bv3 s SER 217 N -3.37 5.63 0.24 4.36 0.01 -1.26 -1.19 113.70 118.11 1bv3 s SER 217 Ca 0.33 0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.87 1bv3 s SER 217 Cb -0.10 -1.64 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 1bv3 s SER 217 CO 0.26 0.33 -0.15 0.68 0.41 0.00 0.00 173.24 174.77 1bv3 s VAL 218 N -1.06 1.96 0.68 3.43 -7.23 -0.52 -3.63 120.40 114.04 1bv3 s VAL 218 Ca 0.18 -2.26 -0.09 0.00 -1.81 0.00 0.00 61.98 58.00 1bv3 s VAL 218 Cb -0.12 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1bv3 s VAL 218 CO 0.08 -0.49 1.04 -0.94 -0.31 0.00 0.00 175.10 174.48 1bv3 s SER 219 N -3.40 5.34 0.35 4.85 1.04 -1.15 -0.83 113.70 119.90 1bv3 s SER 219 Ca 0.26 0.91 0.07 0.00 0.48 0.00 0.00 55.95 57.67 1bv3 s SER 219 Cb -0.01 -1.72 0.66 0.00 0.10 0.00 0.00 66.02 65.05 1bv3 s SER 219 CO 0.10 -1.34 1.87 -1.28 0.98 0.00 0.00 173.24 173.57 1bv3 h SER 220 N -0.55 0.34 -0.54 7.02 0.87 -1.93 -1.95 113.55 116.82 1bv3 h SER 220 Ca -0.45 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 59.93 1bv3 h SER 220 Cb 1.27 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1bv3 h SER 220 CO 0.63 0.49 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.02 1bv3 h GLU 221 N 0.33 1.02 -0.25 2.24 3.07 -1.95 -1.43 114.58 117.61 1bv3 h GLU 221 Ca 0.07 -0.35 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 1bv3 h GLU 221 Cb 0.42 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1bv3 h GLU 221 CO 0.02 1.04 0.00 1.96 -1.40 0.00 0.00 179.01 180.63 1bv3 h GLN 222 N 0.91 0.44 -0.22 2.33 4.20 -1.74 -3.11 115.11 117.92 1bv3 h GLN 222 Ca 0.15 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1bv3 h GLN 222 Cb 0.63 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1bv3 h GLN 222 CO 0.04 0.61 -0.22 0.28 -0.67 0.00 0.00 178.83 178.87 1bv3 h VAL 223 N 0.22 1.25 -0.90 -0.54 2.07 -1.39 -2.46 116.25 114.51 1bv3 h VAL 223 Ca 0.07 -1.15 0.13 0.00 0.82 0.00 0.00 66.70 66.57 1bv3 h VAL 223 Cb 0.41 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1bv3 h VAL 223 CO 0.01 0.36 0.58 -0.07 0.02 0.00 0.00 177.57 178.47 1bv3 h LEU 224 N 0.37 0.71 -1.16 2.57 3.38 -1.19 -1.57 115.31 118.41 1bv3 h LEU 224 Ca 0.06 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1bv3 h LEU 224 Cb 0.59 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1bv3 h LEU 224 CO 0.04 0.37 -0.23 0.11 0.09 0.00 0.00 178.44 178.83 1bv3 h LYS 225 N 0.76 0.00 -0.14 1.13 1.57 -1.38 -1.62 116.57 116.88 1bv3 h LYS 225 Ca 0.44 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1bv3 h LYS 225 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1bv3 h LYS 225 CO -0.20 0.23 -0.37 0.74 -0.57 0.00 0.00 179.45 179.28 1bv3 h PHE 226 N 0.00 0.34 0.00 -1.35 -1.00 -1.28 -2.79 116.94 110.86 1bv3 h PHE 226 Ca -0.00 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1bv3 h PHE 226 Cb 0.72 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.21 1bv3 h PHE 226 CO 0.00 0.63 0.00 0.54 -1.61 0.00 0.00 178.31 177.87 1bv3 n ARG 227 N -4.06 0.69 0.00 1.51 1.74 -0.62 -2.49 116.66 113.43 1bv3 n ARG 227 Ca -0.01 0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 1bv3 n ARG 227 Cb 0.45 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.67 1bv3 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bv3 n LYS 228 N -1.08 2.01 -1.40 5.56 5.02 -1.05 -4.43 118.16 122.79 1bv3 n LYS 228 Ca 0.17 -1.49 -0.29 0.00 -2.02 0.00 0.00 58.31 54.68 1bv3 n LYS 228 Cb 0.12 -1.47 0.18 0.00 -0.02 0.00 0.00 35.03 33.83 1bv3 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bv3 s LEU 229 N -2.02 1.68 0.01 -0.35 1.43 -1.04 -4.86 118.68 113.53 1bv3 s LEU 229 Ca 0.32 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.32 1bv3 s LEU 229 Cb 0.20 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1bv3 s LEU 229 CO 0.33 -3.09 -0.19 0.20 0.23 0.00 0.00 176.35 173.83 1bv3 s ASN 230 N -3.98 2.28 0.13 2.29 0.02 -0.17 -0.43 114.94 115.08 1bv3 s ASN 230 Ca 0.67 -0.43 0.04 0.00 -1.02 0.00 0.00 52.86 52.12 1bv3 s ASN 230 Cb -0.13 -0.22 -0.14 0.00 0.02 0.00 0.00 41.25 40.78 1bv3 s ASN 230 CO 0.55 0.19 1.29 -0.26 0.02 0.00 0.00 177.10 178.89 1bv3 h PHE 231 N 5.28 0.16 -4.29 2.20 0.04 -1.63 -3.37 116.94 115.33 1bv3 h PHE 231 Ca -0.40 -0.11 -0.46 0.00 2.80 0.00 0.00 57.97 59.80 1bv3 h PHE 231 Cb 1.15 -0.01 0.13 0.00 2.20 0.00 0.00 35.95 39.42 1bv3 h PHE 231 CO 0.45 1.03 0.36 0.54 -0.60 0.00 0.00 178.31 180.09 1bv3 s ASN 232 N -6.86 3.63 0.53 2.17 4.22 -1.26 -4.42 114.94 112.95 1bv3 s ASN 232 Ca -0.01 0.72 0.01 0.00 -2.14 0.00 0.00 52.86 51.44 1bv3 s ASN 232 Cb 0.10 -1.12 0.02 0.00 1.28 0.00 0.00 41.25 41.53 1bv3 s ASN 232 CO 0.83 -2.45 0.75 -0.83 -2.04 0.00 0.00 177.10 173.36 1bv3 s GLY 233 N -4.42 1.77 0.34 0.45 0.00 -1.26 -0.90 107.32 103.29 1bv3 s GLY 233 Ca 0.66 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 1bv3 s GLY 233 CO 0.52 -1.02 1.38 -2.21 0.00 0.00 0.00 173.10 171.77 1bv3 n GLU 234 N -2.27 2.31 -1.10 2.90 2.13 -1.26 -2.36 120.64 120.99 1bv3 n GLU 234 Ca 0.06 0.81 -0.03 0.00 0.66 0.00 0.00 57.16 58.66 1bv3 n GLU 234 Cb 0.59 -2.46 -0.01 0.00 0.27 0.00 0.00 31.44 29.83 1bv3 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bv3 n GLY 235 N 0.96 0.64 3.43 8.31 0.00 -1.26 -5.01 105.19 112.26 1bv3 n GLY 235 Ca 0.05 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1bv3 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bv3 s GLU 236 N -1.83 1.57 0.23 1.61 2.02 -0.99 -5.08 118.70 116.22 1bv3 s GLU 236 Ca 0.00 -1.71 -0.31 0.00 0.02 0.00 0.00 54.97 52.97 1bv3 s GLU 236 Cb 0.00 -1.58 -0.14 0.00 0.10 0.00 0.00 34.13 32.51 1bv3 s GLU 236 CO 0.00 0.29 1.33 -0.35 0.02 0.00 0.00 175.26 176.55 1bv3 n PRO 237 N -0.52 1.84 -2.33 0.39 -0.04 -1.26 -4.88 135.00 128.19 1bv3 n PRO 237 Ca -0.06 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 1bv3 n PRO 237 Cb 0.60 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 1bv3 n PRO 237 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1bv3 s GLU 238 N -0.54 4.31 -0.22 0.54 2.12 -1.26 -4.76 118.70 118.89 1bv3 s GLU 238 Ca 0.68 1.83 -0.01 0.00 0.36 0.00 0.00 54.97 57.83 1bv3 s GLU 238 Cb -0.69 -3.59 0.06 0.00 0.26 0.00 0.00 34.13 30.18 1bv3 s GLU 238 CO 0.51 -0.53 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.47 1bv3 s GLU 239 N 2.42 1.28 0.50 4.30 2.02 -1.26 -5.06 118.70 122.90 1bv3 s GLU 239 Ca 0.60 -0.76 -0.24 0.00 0.02 0.00 0.00 54.97 54.59 1bv3 s GLU 239 Cb -0.28 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.50 1bv3 s GLU 239 CO 0.24 -0.60 1.39 -0.51 0.02 0.00 0.00 175.26 175.80 1bv3 s LEU 240 N 1.57 3.99 -0.80 1.80 1.43 -1.26 -1.87 118.68 123.54 1bv3 s LEU 240 Ca -0.04 2.83 -0.21 0.00 -1.03 0.00 0.00 54.13 55.68 1bv3 s LEU 240 Cb -0.18 -4.10 0.10 0.00 0.03 0.00 0.00 46.19 42.04 1bv3 s LEU 240 CO -0.07 -1.35 1.06 -0.32 0.23 0.00 0.00 176.35 175.90 1bv3 s MET 241 N -2.67 3.36 0.05 1.70 -2.45 0.42 -4.61 119.30 115.10 1bv3 s MET 241 Ca 0.66 -1.28 -0.01 0.00 -1.25 0.00 0.00 55.69 53.81 1bv3 s MET 241 Cb -0.42 -4.61 -0.04 0.00 1.25 0.00 0.00 34.83 31.01 1bv3 s MET 241 CO 0.52 -1.82 -0.02 0.14 1.05 0.00 0.00 175.02 174.88 1bv3 s VAL 242 N 3.48 0.22 -1.31 10.11 -7.23 -1.26 -4.50 120.40 119.91 1bv3 s VAL 242 Ca 0.28 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1bv3 s VAL 242 Cb -0.10 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1bv3 s VAL 242 CO -0.00 -0.98 0.81 0.47 -0.31 0.00 0.00 175.10 175.09 1bv3 n ASP 243 N 0.12 -1.98 -2.84 4.85 8.00 -0.72 -4.86 116.55 119.12 1bv3 n ASP 243 Ca -0.14 -0.76 -0.35 0.00 0.71 0.00 0.00 54.79 54.24 1bv3 n ASP 243 Cb 0.61 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1bv3 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bv3 n ASN 244 N -3.05 7.17 -4.51 -2.24 6.94 -1.08 -4.92 115.26 113.57 1bv3 n ASN 244 Ca -0.25 -3.58 -0.26 0.00 -0.02 0.00 0.00 54.58 50.48 1bv3 n ASN 244 Cb 0.65 -1.15 -0.10 0.00 -2.36 0.00 0.00 39.78 36.83 1bv3 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bv3 s TRP 245 N -3.14 2.46 -0.17 -2.53 1.48 -1.26 -4.61 118.94 111.17 1bv3 s TRP 245 Ca 0.54 -0.29 -0.09 0.00 -1.06 0.00 0.00 56.10 55.20 1bv3 s TRP 245 Cb 0.39 -1.16 -0.05 0.00 -1.16 0.00 0.00 33.47 31.50 1bv3 s TRP 245 CO -0.32 0.58 0.12 0.50 -4.06 0.00 0.00 176.95 173.76 1bv3 s ARG 246 N -3.08 3.93 0.71 3.25 3.52 -1.26 -4.98 118.95 121.03 1bv3 s ARG 246 Ca 0.26 -0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.48 1bv3 s ARG 246 Cb -0.07 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1bv3 s ARG 246 CO 0.14 0.43 1.21 -1.25 -0.81 0.00 0.00 175.30 175.02 1bv3 s PRO 247 N -0.03 2.29 0.42 5.12 0.04 -1.26 -4.70 135.00 136.88 1bv3 s PRO 247 Ca 0.09 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1bv3 s PRO 247 Cb -0.11 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1bv3 s PRO 247 CO -0.00 -1.72 1.43 0.00 0.04 0.00 0.00 177.00 176.74 1bv3 s ALA 248 N -1.91 3.34 0.36 8.56 0.00 -1.26 -4.46 121.76 126.40 1bv3 s ALA 248 Ca 0.75 1.46 0.08 0.00 0.00 0.00 0.00 51.96 54.25 1bv3 s ALA 248 Cb -0.30 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1bv3 s ALA 248 CO 0.43 -1.10 0.29 -0.65 0.00 0.00 0.00 175.76 174.74 1bv3 s GLN 249 N -2.31 2.59 0.22 0.00 -1.52 -0.39 -4.98 119.66 113.28 1bv3 s GLN 249 Ca 0.58 -1.43 -0.31 0.00 -1.95 0.00 0.00 55.36 52.25 1bv3 s GLN 249 Cb -0.44 -2.38 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 1bv3 s GLN 249 CO 0.57 0.00 1.58 -2.14 -0.25 0.00 0.00 175.29 175.06 1bv3 s PRO 250 N -4.01 4.18 0.33 2.91 0.02 -1.26 -4.55 135.00 132.62 1bv3 s PRO 250 Ca 0.43 2.46 0.08 0.00 0.02 0.00 0.00 61.00 63.98 1bv3 s PRO 250 Cb -0.04 -3.10 0.59 0.00 0.02 0.00 0.00 34.50 31.97 1bv3 s PRO 250 CO 0.26 -0.61 1.79 1.25 -0.33 0.00 0.00 177.00 179.36 1bv3 h LEU 251 N 6.00 0.24 0.00 -5.54 5.85 -1.95 -3.44 115.31 116.47 1bv3 h LEU 251 Ca -0.44 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1bv3 h LEU 251 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1bv3 h LEU 251 CO 0.87 0.54 0.00 0.29 -0.34 0.00 0.00 178.44 179.79 1bv3 n LYS 252 N -4.13 0.00 -1.13 1.25 5.02 -1.26 -2.97 118.16 114.95 1bv3 n LYS 252 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 1bv3 n LYS 252 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.31 1bv3 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bv3 n ASN 253 N 2.86 5.83 -4.34 4.39 5.15 -1.26 -4.92 115.26 122.97 1bv3 n ASN 253 Ca 0.00 -2.80 -0.22 0.00 -0.60 0.00 0.00 54.58 50.95 1bv3 n ASN 253 Cb 0.00 -1.29 -0.11 0.00 -0.53 0.00 0.00 39.78 37.85 1bv3 n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bv3 s ARG 254 N -0.38 1.30 -0.13 1.20 0.52 -1.16 -5.14 118.95 115.16 1bv3 s ARG 254 Ca 0.54 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1bv3 s ARG 254 Cb 0.31 -1.39 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 1bv3 s ARG 254 CO -0.08 0.29 -0.09 -1.14 0.02 0.00 0.00 175.30 174.29 1bv3 s GLN 255 N -2.76 3.43 -0.10 3.54 0.74 -1.26 -5.04 119.66 118.22 1bv3 s GLN 255 Ca 0.16 -0.61 -0.20 0.00 0.05 0.00 0.00 55.36 54.76 1bv3 s GLN 255 Cb -0.06 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.27 1bv3 s GLN 255 CO 0.07 0.27 0.55 0.42 -0.55 0.00 0.00 175.29 176.05 1bv3 s ILE 256 N 0.24 5.14 0.03 -2.34 1.01 -1.26 -4.71 121.20 119.30 1bv3 s ILE 256 Ca -0.06 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.72 1bv3 s ILE 256 Cb -0.15 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1bv3 s ILE 256 CO 0.04 0.31 0.05 -0.54 0.00 0.00 0.00 174.94 174.79 1bv3 s LYS 257 N 0.65 2.86 0.08 2.79 1.02 -0.67 -2.38 119.74 124.09 1bv3 s LYS 257 Ca 0.30 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.73 1bv3 s LYS 257 Cb -0.16 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1bv3 s LYS 257 CO 0.13 0.61 -0.10 0.00 -0.92 0.00 0.00 175.35 175.06 1bv3 s ALA 258 N -1.23 2.93 -2.33 5.17 0.00 -0.50 -0.71 121.76 125.09 1bv3 s ALA 258 Ca 0.24 -1.20 0.23 0.00 0.00 0.00 0.00 51.96 51.23 1bv3 s ALA 258 Cb -0.12 -0.92 0.87 0.00 0.00 0.00 0.00 23.12 22.95 1bv3 s ALA 258 CO 0.15 0.63 1.62 -1.13 0.00 0.00 0.00 175.76 177.04 1bv3 n SER 259 N 0.96 1.54 -3.98 0.00 3.41 0.03 -1.93 113.62 113.64 1bv3 n SER 259 Ca -0.14 -1.63 -0.09 0.00 -0.26 0.00 0.00 58.87 56.75 1bv3 n SER 259 Cb 0.52 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 1bv3 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bv3 s PHE 260 N -1.86 0.27 -2.00 7.33 -0.71 -1.26 -4.90 117.98 114.84 1bv3 s PHE 260 Ca 0.34 -0.49 0.31 0.00 -1.04 0.00 0.00 56.93 56.05 1bv3 s PHE 260 Cb 0.18 -0.19 1.86 0.00 -1.21 0.00 0.00 43.02 43.66 1bv3 s PHE 260 CO 0.28 -0.17 2.18 1.17 -1.34 0.00 0.00 175.22 177.35