#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cv4 s GLY 3 N 0.00 1.27 -0.39 0.55 0.00 -1.26 -5.08 107.32 102.41 2cv4 s GLY 3 Ca 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.17 2cv4 s GLY 3 CO 0.00 -1.22 0.17 -0.45 0.00 0.00 0.00 173.10 171.60 2cv4 s SER 4 N -3.14 5.18 0.21 1.64 0.15 -1.26 -5.12 113.70 111.37 2cv4 s SER 4 Ca 0.35 -1.91 0.05 0.00 0.70 0.00 0.00 55.95 55.14 2cv4 s SER 4 Cb 0.05 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2cv4 s SER 4 CO 0.12 -0.49 0.30 0.27 1.20 0.00 0.00 173.24 174.64 2cv4 s ILE 5 N 1.15 5.09 0.46 6.45 -4.36 -1.26 -3.76 121.20 124.97 2cv4 s ILE 5 Ca 0.06 -0.99 -0.21 0.00 -0.26 0.00 0.00 60.65 59.26 2cv4 s ILE 5 Cb -0.22 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 39.68 2cv4 s ILE 5 CO -0.04 -0.26 0.99 -2.84 0.24 0.00 0.00 174.94 173.04 2cv4 s PRO 6 N -3.71 4.02 0.15 0.37 0.02 -1.26 -5.02 135.00 129.56 2cv4 s PRO 6 Ca 0.34 1.25 0.05 0.00 0.02 0.00 0.00 61.00 62.66 2cv4 s PRO 6 Cb -0.09 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 2cv4 s PRO 6 CO 0.28 -0.22 0.06 -0.51 -0.33 0.00 0.00 177.00 176.28 2cv4 s LEU 7 N -3.31 3.59 0.19 -5.54 1.43 -1.26 -5.05 118.68 108.74 2cv4 s LEU 7 Ca 0.64 -0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 53.22 2cv4 s LEU 7 Cb -0.13 -2.24 -0.12 0.00 0.03 0.00 0.00 46.19 43.73 2cv4 s LEU 7 CO 0.17 0.10 1.74 -0.38 0.23 0.00 0.00 176.35 178.22 2cv4 n ILE 8 N -0.03 0.06 0.00 -0.59 5.41 -1.26 -1.30 119.36 121.65 2cv4 n ILE 8 Ca -0.09 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2cv4 n ILE 8 Cb 0.54 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 2cv4 n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cv4 n GLY 9 N 4.02 2.96 3.89 7.39 0.00 -0.23 -5.01 105.19 118.21 2cv4 n GLY 9 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2cv4 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cv4 s GLU 10 N -0.77 3.69 0.41 1.61 2.02 -0.42 -4.79 118.70 120.45 2cv4 s GLU 10 Ca 0.00 0.30 -0.25 0.00 0.02 0.00 0.00 54.97 55.04 2cv4 s GLU 10 Cb 0.00 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 2cv4 s GLU 10 CO 0.00 -0.02 1.20 0.50 0.02 0.00 0.00 175.26 176.95 2cv4 s ARG 11 N -4.00 3.99 0.17 1.61 3.00 -1.26 -1.72 118.95 120.73 2cv4 s ARG 11 Ca 0.49 1.89 -0.32 0.00 -1.00 0.00 0.00 55.73 56.80 2cv4 s ARG 11 Cb -0.10 -2.66 -0.10 0.00 0.00 0.00 0.00 34.95 32.09 2cv4 s ARG 11 CO 0.34 -0.39 1.56 0.12 0.00 0.00 0.00 175.30 176.93 2cv4 s PHE 12 N -1.40 3.07 0.25 5.12 2.19 0.71 -4.85 117.98 123.07 2cv4 s PHE 12 Ca 0.58 0.64 -0.30 0.00 0.33 0.00 0.00 56.93 58.19 2cv4 s PHE 12 Cb -0.32 -3.92 -0.14 0.00 -1.31 0.00 0.00 43.02 37.33 2cv4 s PHE 12 CO 0.40 -3.38 1.14 -2.30 1.83 0.00 0.00 175.22 172.92 2cv4 n PRO 13 N 3.93 1.48 -1.72 10.12 -0.02 -1.26 -4.50 135.00 143.02 2cv4 n PRO 13 Ca 0.14 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 2cv4 n PRO 13 Cb 0.39 -1.99 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2cv4 n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2cv4 s GLU 14 N -1.07 2.66 -0.06 -0.52 2.12 -1.26 -4.39 118.70 116.19 2cv4 s GLU 14 Ca 0.64 1.55 0.02 0.00 0.36 0.00 0.00 54.97 57.54 2cv4 s GLU 14 Cb -0.72 -1.92 0.01 0.00 0.26 0.00 0.00 34.13 31.76 2cv4 s GLU 14 CO 0.56 -1.39 -0.12 -2.00 -0.54 0.00 0.00 175.26 171.77 2cv4 s GLU 16 N -3.91 1.62 0.17 4.30 2.12 -1.26 -4.98 118.70 116.75 2cv4 s GLU 16 Ca 0.70 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.70 2cv4 s GLU 16 Cb -0.24 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 2cv4 s GLU 16 CO 0.41 0.05 -0.14 0.14 -0.54 0.00 0.00 175.26 175.17 2cv4 s VAL 17 N 0.59 1.58 -0.20 3.70 -7.23 -0.13 -4.98 120.40 113.74 2cv4 s VAL 17 Ca -0.13 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 57.95 2cv4 s VAL 17 Cb -0.15 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2cv4 s VAL 17 CO 0.03 -0.52 0.06 -0.89 -0.31 0.00 0.00 175.10 173.47 2cv4 s THR 18 N -2.65 4.60 0.35 5.32 2.01 -1.26 -1.22 115.64 122.79 2cv4 s THR 18 Ca 0.17 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.14 2cv4 s THR 18 Cb -0.02 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 2cv4 s THR 18 CO 0.05 0.43 0.02 0.42 -0.69 0.00 0.00 174.62 174.84 2cv4 s THR 19 N 0.73 1.60 -1.64 -0.82 -4.23 0.48 -0.50 115.64 111.25 2cv4 s THR 19 Ca 0.03 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2cv4 s THR 19 Cb -0.13 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2cv4 s THR 19 CO 0.02 -0.05 0.58 -0.90 -0.54 0.00 0.00 174.62 173.73 2cv4 n ASP 20 N -0.78 0.26 0.00 3.99 5.68 -0.66 -0.87 116.55 124.17 2cv4 n ASP 20 Ca -0.04 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 2cv4 n ASP 20 Cb 0.66 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2cv4 n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2cv4 n HIS 21 N -0.27 0.00 0.00 2.11 8.25 -1.26 -4.96 115.22 119.09 2cv4 n HIS 21 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2cv4 n HIS 21 Cb 0.06 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2cv4 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cv4 n GLY 22 N -0.02 0.87 3.75 -1.41 0.00 -0.05 -5.05 105.19 103.29 2cv4 n GLY 22 Ca 0.00 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 2cv4 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 23 N -0.96 4.29 0.03 1.61 1.01 -1.26 -0.39 120.40 124.73 2cv4 s VAL 23 Ca 0.00 1.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.93 2cv4 s VAL 23 Cb 0.00 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2cv4 s VAL 23 CO 0.00 0.44 0.04 -0.51 0.00 0.00 0.00 175.10 175.07 2cv4 s ILE 24 N -0.77 0.13 -0.12 2.22 2.07 -0.36 -4.95 121.20 119.43 2cv4 s ILE 24 Ca 0.41 -1.05 -0.04 0.00 -1.41 0.00 0.00 60.65 58.57 2cv4 s ILE 24 Cb -0.24 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 2cv4 s ILE 24 CO 0.30 -0.58 0.02 -0.75 -1.91 0.00 0.00 174.94 172.02 2cv4 s LYS 25 N -2.15 3.31 0.01 3.50 2.20 -1.26 -0.95 119.74 124.40 2cv4 s LYS 25 Ca -0.09 -0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 2cv4 s LYS 25 Cb -0.04 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 2cv4 s LYS 25 CO -0.03 0.57 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.86 2cv4 s LEU 26 N -0.51 2.66 0.00 5.43 1.43 -1.26 -1.68 118.68 124.76 2cv4 s LEU 26 Ca 0.09 -0.34 0.27 0.00 -1.03 0.00 0.00 54.13 53.12 2cv4 s LEU 26 Cb -0.12 -1.55 0.87 0.00 0.03 0.00 0.00 46.19 45.42 2cv4 s LEU 26 CO 0.02 0.29 1.64 -0.81 0.23 0.00 0.00 176.35 177.72 2cv4 n PRO 27 N 1.80 0.74 -0.30 1.29 -0.04 -1.26 -4.22 135.00 133.02 2cv4 n PRO 27 Ca -0.16 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2cv4 n PRO 27 Cb 0.52 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2cv4 n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cv4 n ASP 28 N -0.79 -0.46 -0.27 3.54 9.92 -1.24 -1.34 116.55 125.92 2cv4 n ASP 28 Ca 0.12 1.35 0.21 0.00 -0.53 0.00 0.00 54.79 55.95 2cv4 n ASP 28 Cb 0.33 -0.33 0.53 0.00 -0.64 0.00 0.00 41.12 41.00 2cv4 n ASP 28 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2cv4 h HIS 29 N 0.00 0.53 0.06 1.24 2.76 -1.68 0.41 115.15 118.48 2cv4 h HIS 29 Ca 0.29 0.02 -0.35 0.00 -2.20 0.00 0.00 60.37 58.13 2cv4 h HIS 29 Cb 0.49 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 2cv4 h HIS 29 CO -0.66 0.11 -1.97 0.66 -1.30 0.00 0.00 177.93 174.77 2cv4 n TYR 30 N -4.52 0.85 -0.12 5.26 4.01 -0.45 -3.86 117.16 118.33 2cv4 n TYR 30 Ca 0.21 0.23 0.04 0.00 -0.16 0.00 0.00 57.90 58.23 2cv4 n TYR 30 Cb 0.78 -1.10 0.36 0.00 -0.31 0.00 0.00 39.34 39.06 2cv4 n TYR 30 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2cv4 h VAL 31 N -0.30 1.09 0.00 -0.72 2.07 -0.84 -0.45 116.25 117.10 2cv4 h VAL 31 Ca -0.46 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2cv4 h VAL 31 Cb 1.80 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2cv4 h VAL 31 CO -0.07 0.13 0.00 0.77 0.02 0.00 0.00 177.57 178.43 2cv4 h SER 32 N 0.74 0.00 -0.46 0.57 4.64 -0.35 -1.37 113.55 117.33 2cv4 h SER 32 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2cv4 h SER 32 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2cv4 h SER 32 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 2cv4 n GLN 33 N -2.55 2.50 -1.50 4.77 6.02 -0.32 -4.94 117.38 121.35 2cv4 n GLN 33 Ca 0.02 -2.30 -0.14 0.00 -0.01 0.00 0.00 57.00 54.57 2cv4 n GLN 33 Cb 0.30 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.02 2cv4 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cv4 n GLY 34 N 1.38 1.30 3.91 1.08 0.00 -0.51 -4.99 105.19 107.36 2cv4 n GLY 34 Ca 0.19 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2cv4 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s LYS 35 N -3.37 3.30 0.36 1.61 1.02 -0.34 -4.81 119.74 117.50 2cv4 s LYS 35 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.27 2cv4 s LYS 35 Cb 0.00 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2cv4 s LYS 35 CO 0.00 0.48 0.54 -1.58 -0.92 0.00 0.00 175.35 173.87 2cv4 s TRP 36 N -1.86 3.38 0.04 3.18 0.52 -0.67 -3.94 118.94 119.60 2cv4 s TRP 36 Ca 0.34 0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.58 2cv4 s TRP 36 Cb -0.10 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2cv4 s TRP 36 CO 0.27 0.03 0.14 -0.59 0.02 0.00 0.00 176.95 176.83 2cv4 s PHE 37 N -2.31 0.15 -0.21 -1.98 -0.71 -0.67 -0.09 117.98 112.15 2cv4 s PHE 37 Ca 0.42 -0.43 0.01 0.00 -1.04 0.00 0.00 56.93 55.89 2cv4 s PHE 37 Cb -0.10 -0.10 0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2cv4 s PHE 37 CO 0.35 -0.40 -0.12 0.08 -1.34 0.00 0.00 175.22 173.78 2cv4 s VAL 38 N -2.71 1.85 -0.27 -2.49 1.01 -0.21 -1.23 120.40 116.36 2cv4 s VAL 38 Ca -0.04 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 2cv4 s VAL 38 Cb -0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2cv4 s VAL 38 CO -0.05 0.18 0.18 -0.22 0.00 0.00 0.00 175.10 175.19 2cv4 s LEU 39 N 1.30 4.03 -0.05 3.92 0.20 -0.39 -1.52 118.68 126.18 2cv4 s LEU 39 Ca -0.02 0.02 0.05 0.00 0.69 0.00 0.00 54.13 54.87 2cv4 s LEU 39 Cb -0.17 -2.11 -0.01 0.00 -0.43 0.00 0.00 46.19 43.48 2cv4 s LEU 39 CO -0.08 -0.02 -0.20 0.72 -0.29 0.00 0.00 176.35 176.48 2cv4 s PHE 40 N 1.55 2.01 0.20 5.38 -0.12 -0.48 -0.88 117.98 125.64 2cv4 s PHE 40 Ca 0.07 -0.59 0.06 0.00 -0.05 0.00 0.00 56.93 56.43 2cv4 s PHE 40 Cb -0.15 -1.34 -0.04 0.00 -0.63 0.00 0.00 43.02 40.86 2cv4 s PHE 40 CO 0.09 -0.19 0.12 -1.54 -0.05 0.00 0.00 175.22 173.65 2cv4 s SER 41 N -0.04 5.33 0.03 1.98 1.04 -0.13 -0.92 113.70 120.98 2cv4 s SER 41 Ca -0.04 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.15 2cv4 s SER 41 Cb -0.12 -1.32 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 2cv4 s SER 41 CO 0.03 0.04 -0.04 -1.00 0.98 0.00 0.00 173.24 173.24 2cv4 s HIS 42 N -1.90 0.41 0.12 5.02 3.76 0.11 -3.98 115.29 118.83 2cv4 s HIS 42 Ca 0.31 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 2cv4 s HIS 42 Cb -0.09 -0.27 -0.11 0.00 1.11 0.00 0.00 32.58 33.22 2cv4 s HIS 42 CO 0.23 -0.18 1.31 -1.00 -0.85 0.00 0.00 174.74 174.25 2cv4 h PRO 43 N 4.42 0.60 -1.70 8.40 0.13 -1.74 -3.37 132.00 138.74 2cv4 h PRO 43 Ca -0.33 -0.56 0.04 0.00 -0.87 0.00 0.00 66.00 64.27 2cv4 h PRO 43 Cb 1.20 0.14 -0.22 0.00 0.13 0.00 0.00 31.00 32.24 2cv4 h PRO 43 CO 0.44 1.18 0.42 0.00 -0.23 0.00 0.00 178.00 179.80 2cv4 s ALA 44 N -3.51 -1.89 0.91 -0.56 0.00 -1.26 -4.18 121.76 111.27 2cv4 s ALA 44 Ca -0.08 1.59 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 2cv4 s ALA 44 Cb 0.09 -0.66 0.14 0.00 0.00 0.00 0.00 23.12 22.69 2cv4 s ALA 44 CO 0.89 -0.32 1.15 -0.51 0.00 0.00 0.00 175.76 176.97 2cv4 s ASP 45 N -0.85 2.95 -1.47 0.00 1.11 -1.26 -3.63 116.67 113.52 2cv4 s ASP 45 Ca -0.03 2.18 -0.11 0.00 0.18 0.00 0.00 52.55 54.77 2cv4 s ASP 45 Cb -0.01 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.47 2cv4 s ASP 45 CO 0.03 -3.08 0.89 0.49 1.18 0.00 0.00 175.17 174.67 2cv4 n PHE 46 N -4.22 -2.28 -5.05 4.23 3.01 -1.26 -5.00 117.46 106.90 2cv4 n PHE 46 Ca 0.12 0.80 -0.28 0.00 1.01 0.00 0.00 57.45 59.10 2cv4 n PHE 46 Cb 0.52 -4.09 -0.16 0.00 -0.01 0.00 0.00 39.48 35.75 2cv4 n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2cv4 s THR 47 N -3.23 1.69 0.08 4.37 -4.23 -1.24 -5.08 115.64 108.01 2cv4 s THR 47 Ca 0.56 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.88 2cv4 s THR 47 Cb -0.27 -1.41 -0.11 0.00 1.34 0.00 0.00 72.50 72.05 2cv4 s THR 47 CO 0.69 0.47 1.42 1.55 -0.54 0.00 0.00 174.62 178.21 2cv4 h PRO 48 N 5.58 -0.54 -0.10 3.99 0.14 -1.94 -0.52 132.00 138.61 2cv4 h PRO 48 Ca -0.40 0.04 0.00 0.00 0.14 0.00 0.00 66.00 65.78 2cv4 h PRO 48 Cb 1.14 0.12 0.00 0.00 0.14 0.00 0.00 31.00 32.40 2cv4 h PRO 48 CO 0.48 -0.36 0.00 0.28 0.14 0.00 0.00 178.00 178.54 2cv4 n VAL 49 N -4.76 0.00 0.00 1.56 0.31 -1.26 -1.30 118.33 112.88 2cv4 n VAL 49 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2cv4 n VAL 49 Cb 0.31 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 2cv4 n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2cv4 n THR 51 N 0.39 0.00 -0.06 2.52 -1.04 -0.20 -1.40 114.28 114.48 2cv4 n THR 51 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2cv4 n THR 51 Cb 0.00 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.83 2cv4 n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2cv4 h THR 52 N 0.00 1.17 -0.54 12.58 1.35 -1.48 -1.39 112.91 124.60 2cv4 h THR 52 Ca 0.00 -0.48 -0.11 0.00 -0.55 0.00 0.00 66.41 65.26 2cv4 h THR 52 Cb 0.00 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2cv4 h THR 52 CO 0.00 0.20 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.04 2cv4 h GLU 53 N 0.67 1.02 -0.58 4.72 5.08 -1.50 0.47 114.58 124.46 2cv4 h GLU 53 Ca 0.17 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 2cv4 h GLU 53 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2cv4 h GLU 53 CO -0.02 1.06 0.06 0.74 -1.00 0.00 0.00 179.01 179.85 2cv4 h PHE 54 N 0.89 1.05 -0.68 4.33 -1.00 -1.68 0.19 116.94 120.05 2cv4 h PHE 54 Ca 0.14 -0.16 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 2cv4 h PHE 54 Cb 0.67 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 2cv4 h PHE 54 CO 0.05 0.93 0.11 0.28 -1.61 0.00 0.00 178.31 178.06 2cv4 h VAL 55 N 0.87 1.26 -0.38 -0.55 2.07 -1.07 -1.15 116.25 117.30 2cv4 h VAL 55 Ca 0.17 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2cv4 h VAL 55 Cb 0.47 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2cv4 h VAL 55 CO 0.02 0.39 0.18 -1.28 0.02 0.00 0.00 177.57 176.91 2cv4 h SER 56 N 1.05 0.50 -0.91 0.57 0.87 -0.33 -2.07 113.55 113.24 2cv4 h SER 56 Ca 0.21 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2cv4 h SER 56 Cb 0.45 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 2cv4 h SER 56 CO 0.01 0.49 0.54 -0.26 -0.53 0.00 0.00 176.83 177.08 2cv4 h PHE 57 N 0.48 1.21 -0.29 2.24 0.04 -0.81 -2.61 116.94 117.20 2cv4 h PHE 57 Ca 0.13 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2cv4 h PHE 57 Cb 0.12 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2cv4 h PHE 57 CO -0.01 0.81 0.13 0.00 -0.60 0.00 0.00 178.31 178.64 2cv4 h ALA 58 N 1.29 0.37 0.00 2.45 0.00 -0.81 -1.45 119.26 121.12 2cv4 h ALA 58 Ca 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cv4 h ALA 58 Cb -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2cv4 h ALA 58 CO -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.12 2cv4 h ARG 59 N 0.33 0.00 -0.70 0.00 2.47 -1.23 -1.54 114.38 113.71 2cv4 h ARG 59 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2cv4 h ARG 59 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2cv4 h ARG 59 CO -0.01 0.01 0.00 0.54 0.56 0.00 0.00 179.97 181.07 2cv4 n ARG 60 N -4.21 3.16 -0.25 0.04 1.74 -0.86 -4.56 116.66 111.71 2cv4 n ARG 60 Ca -0.03 -2.77 -0.05 0.00 -0.77 0.00 0.00 57.85 54.23 2cv4 n ARG 60 Cb 0.10 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 29.89 2cv4 n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2cv4 h TYR 61 N 4.23 0.89 -0.35 -1.55 -0.00 -0.23 -2.25 116.97 117.70 2cv4 h TYR 61 Ca 0.00 0.02 0.05 0.00 -0.00 0.00 0.00 58.73 58.81 2cv4 h TYR 61 Cb 1.19 -0.30 -0.05 0.00 -0.00 0.00 0.00 36.73 37.57 2cv4 h TYR 61 CO 0.61 0.56 0.05 1.49 -0.00 0.00 0.00 178.16 180.87 2cv4 h GLU 62 N 0.95 0.16 -0.55 1.82 4.22 -1.81 -0.66 114.58 118.72 2cv4 h GLU 62 Ca 0.26 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.73 2cv4 h GLU 62 Cb -0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2cv4 h GLU 62 CO -0.06 0.11 0.37 -0.44 -2.18 0.00 0.00 179.01 176.81 2cv4 h ASP 63 N 0.16 0.50 -0.08 1.04 3.32 -1.78 0.67 116.42 120.25 2cv4 h ASP 63 Ca 0.17 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2cv4 h ASP 63 Cb 0.20 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.65 2cv4 h ASP 63 CO -0.24 0.34 -0.65 -0.26 -1.72 0.00 0.00 179.24 176.72 2cv4 h PHE 64 N 0.58 0.81 -0.87 4.55 0.04 -0.76 -3.08 116.94 118.22 2cv4 h PHE 64 Ca 0.23 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2cv4 h PHE 64 Cb 0.18 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 2cv4 h PHE 64 CO -0.00 1.19 0.49 1.96 -0.60 0.00 0.00 178.31 181.35 2cv4 h GLN 65 N 0.21 1.19 0.00 1.51 4.20 -0.60 0.19 115.11 121.81 2cv4 h GLN 65 Ca -0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2cv4 h GLN 65 Cb 1.30 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 2cv4 h GLN 65 CO 0.13 0.86 -0.06 0.00 -0.67 0.00 0.00 178.83 179.09 2cv4 h ARG 66 N 1.20 0.00 -0.25 1.46 3.08 -0.87 0.32 114.38 119.32 2cv4 h ARG 66 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2cv4 h ARG 66 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2cv4 h ARG 66 CO -0.05 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 2cv4 n LEU 67 N -4.03 1.99 -1.51 3.04 4.77 -0.17 -4.91 117.00 116.18 2cv4 n LEU 67 Ca -0.03 -0.88 -0.09 0.00 -0.03 0.00 0.00 56.01 54.98 2cv4 n LEU 67 Cb 0.14 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2cv4 n LEU 67 CO 0.31 0.44 0.04 0.61 -1.33 0.00 0.00 177.39 177.46 2cv4 n GLY 68 N 1.17 0.25 3.16 -0.72 0.00 0.11 -4.92 105.19 104.24 2cv4 n GLY 68 Ca 0.16 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 2cv4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 69 N -2.91 1.55 0.33 1.61 1.01 -0.12 -1.67 120.40 120.19 2cv4 s VAL 69 Ca 0.17 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2cv4 s VAL 69 Cb -0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2cv4 s VAL 69 CO 0.20 0.44 0.26 -0.62 0.00 0.00 0.00 175.10 175.38 2cv4 s ASP 70 N 0.03 5.18 0.07 3.32 -1.08 0.87 -3.57 116.67 121.48 2cv4 s ASP 70 Ca -0.04 -0.54 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 2cv4 s ASP 70 Cb -0.12 -0.94 -0.03 0.00 -1.46 0.00 0.00 42.92 40.36 2cv4 s ASP 70 CO 0.03 -0.33 -0.26 -0.76 0.52 0.00 0.00 175.17 174.37 2cv4 s LEU 71 N -3.96 2.21 -0.18 -1.34 1.43 -1.26 -1.04 118.68 114.54 2cv4 s LEU 71 Ca 0.40 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2cv4 s LEU 71 Cb -0.05 -1.22 0.08 0.00 0.03 0.00 0.00 46.19 45.02 2cv4 s LEU 71 CO 0.26 0.22 0.39 -0.51 0.23 0.00 0.00 176.35 176.94 2cv4 s ILE 72 N -0.88 -0.42 0.72 -0.59 2.07 -0.57 -4.27 121.20 117.26 2cv4 s ILE 72 Ca 0.12 0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.51 2cv4 s ILE 72 Cb -0.10 -0.61 0.12 0.00 0.13 0.00 0.00 42.46 42.00 2cv4 s ILE 72 CO 0.03 0.07 0.99 -0.83 -1.91 0.00 0.00 174.94 173.29 2cv4 s GLY 73 N 2.19 1.76 -0.23 1.50 0.00 -0.28 -1.39 107.32 110.87 2cv4 s GLY 73 Ca -0.04 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.80 2cv4 s GLY 73 CO -0.12 -1.16 0.59 -2.27 0.00 0.00 0.00 173.10 170.15 2cv4 s LEU 74 N -5.13 -0.48 0.11 0.66 0.20 -0.10 -0.50 118.68 113.45 2cv4 s LEU 74 Ca 0.66 1.25 -0.05 0.00 0.69 0.00 0.00 54.13 56.68 2cv4 s LEU 74 Cb -0.05 2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 47.71 2cv4 s LEU 74 CO 0.44 -0.22 0.14 -0.55 -0.29 0.00 0.00 176.35 175.87 2cv4 s SER 75 N 0.99 0.22 0.09 3.68 0.15 -1.00 0.05 113.70 117.89 2cv4 s SER 75 Ca -0.05 -0.94 0.26 0.00 0.70 0.00 0.00 55.95 55.91 2cv4 s SER 75 Cb -0.05 0.33 0.99 0.00 -1.71 0.00 0.00 66.02 65.58 2cv4 s SER 75 CO -0.09 -0.75 1.80 0.52 1.20 0.00 0.00 173.24 175.92 2cv4 n VAL 76 N -0.08 0.41 -1.78 4.45 0.31 -1.26 -0.89 118.33 119.49 2cv4 n VAL 76 Ca -0.10 -0.04 -0.29 0.00 -0.01 0.00 0.00 64.34 63.90 2cv4 n VAL 76 Cb 0.63 -0.66 0.13 0.00 -0.91 0.00 0.00 33.84 33.02 2cv4 n VAL 76 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2cv4 s ASP 77 N -3.63 3.84 0.74 4.52 1.01 -1.26 -2.42 116.67 119.47 2cv4 s ASP 77 Ca 0.11 0.73 -0.08 0.00 0.71 0.00 0.00 52.55 54.02 2cv4 s ASP 77 Cb 0.15 -1.15 0.08 0.00 1.01 0.00 0.00 42.92 43.01 2cv4 s ASP 77 CO 0.50 -2.32 1.06 -0.94 0.21 0.00 0.00 175.17 173.68 2cv4 s SER 78 N -4.46 4.63 0.39 0.27 1.04 -1.26 -3.33 113.70 110.96 2cv4 s SER 78 Ca 0.65 0.45 0.16 0.00 0.48 0.00 0.00 55.95 57.70 2cv4 s SER 78 Cb -0.11 -1.03 0.79 0.00 0.10 0.00 0.00 66.02 65.77 2cv4 s SER 78 CO 0.51 -1.74 1.82 -0.37 0.98 0.00 0.00 173.24 174.45 2cv4 h VAL 79 N -0.74 1.09 -0.31 5.02 -1.51 -1.95 -1.16 116.25 116.70 2cv4 h VAL 79 Ca -0.44 -1.30 -0.04 0.00 -1.23 0.00 0.00 66.70 63.69 2cv4 h VAL 79 Cb 1.31 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 2cv4 h VAL 79 CO 0.59 0.35 0.06 -0.26 -1.23 0.00 0.00 177.57 177.07 2cv4 h PHE 80 N 0.00 0.54 -0.48 5.19 0.04 -1.99 -1.45 116.94 118.78 2cv4 h PHE 80 Ca -0.00 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 2cv4 h PHE 80 Cb 0.71 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 2cv4 h PHE 80 CO 0.00 0.58 0.15 0.77 -0.60 0.00 0.00 178.31 179.22 2cv4 h SER 81 N 0.33 0.70 -0.41 2.17 0.02 -1.82 -0.65 113.55 113.89 2cv4 h SER 81 Ca 0.09 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2cv4 h SER 81 Cb 0.33 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 2cv4 h SER 81 CO 0.00 0.72 -0.04 0.45 -1.14 0.00 0.00 176.83 176.83 2cv4 h HIS 82 N 0.65 -0.09 -0.44 3.45 3.86 -1.03 0.11 115.15 121.65 2cv4 h HIS 82 Ca 0.16 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 2cv4 h HIS 82 Cb 0.27 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2cv4 h HIS 82 CO 0.01 -0.12 -0.19 0.82 0.86 0.00 0.00 177.93 179.31 2cv4 h ILE 83 N 0.07 1.27 -0.42 2.45 2.04 -1.09 0.14 117.51 121.97 2cv4 h ILE 83 Ca 0.20 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2cv4 h ILE 83 Cb 0.30 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2cv4 h ILE 83 CO -0.37 0.46 0.24 0.11 0.00 0.00 0.00 178.15 178.58 2cv4 h LYS 84 N 0.75 0.57 -0.11 2.37 1.79 -0.57 0.06 116.57 121.43 2cv4 h LYS 84 Ca 0.10 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2cv4 h LYS 84 Cb 0.76 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2cv4 h LYS 84 CO 0.06 0.44 0.07 2.35 -1.08 0.00 0.00 179.45 181.30 2cv4 h TRP 85 N 0.54 0.14 -0.74 -1.35 7.01 -0.56 0.67 115.95 121.66 2cv4 h TRP 85 Ca 0.15 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.16 2cv4 h TRP 85 Cb 0.03 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.01 2cv4 h TRP 85 CO -0.03 0.09 0.49 0.87 -2.79 0.00 0.00 178.44 177.06 2cv4 h LYS 86 N 0.15 0.96 -0.58 2.65 1.57 -0.54 -0.52 116.57 120.25 2cv4 h LYS 86 Ca 0.04 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2cv4 h LYS 86 Cb -0.02 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2cv4 h LYS 86 CO -0.01 0.63 0.38 1.49 -0.57 0.00 0.00 179.45 181.37 2cv4 h GLU 87 N 0.99 0.74 -0.36 3.15 4.81 -0.36 -0.62 114.58 122.92 2cv4 h GLU 87 Ca 0.28 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2cv4 h GLU 87 Cb -0.09 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 2cv4 h GLU 87 CO -0.07 0.49 0.15 2.35 -0.73 0.00 0.00 179.01 181.19 2cv4 h TRP 88 N 0.76 0.27 -0.39 0.92 7.01 -0.04 0.44 115.95 124.92 2cv4 h TRP 88 Ca 0.22 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.25 2cv4 h TRP 88 Cb -0.05 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2cv4 h TRP 88 CO -0.04 0.12 0.24 0.82 -2.79 0.00 0.00 178.44 176.79 2cv4 h ILE 89 N 0.31 1.05 -0.47 2.65 2.04 -0.51 0.50 117.51 123.07 2cv4 h ILE 89 Ca 0.16 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2cv4 h ILE 89 Cb 0.11 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2cv4 h ILE 89 CO -0.14 0.09 0.06 -0.08 0.00 0.00 0.00 178.15 178.07 2cv4 h GLU 90 N 0.48 0.75 0.11 2.37 4.81 -0.57 0.23 114.58 122.76 2cv4 h GLU 90 Ca 0.15 -0.17 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 2cv4 h GLU 90 Cb -0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2cv4 h GLU 90 CO -0.07 0.72 -1.36 -0.09 -0.73 0.00 0.00 179.01 177.48 2cv4 h ARG 91 N 0.71 0.23 0.00 1.92 2.43 -0.49 -2.40 114.38 116.79 2cv4 h ARG 91 Ca 0.15 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2cv4 h ARG 91 Cb 0.36 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2cv4 h ARG 91 CO 0.01 1.13 -1.80 0.72 -1.51 0.00 0.00 179.97 178.52 2cv4 n HIS 92 N -3.47 0.27 0.28 2.20 8.25 0.17 -4.40 115.22 118.52 2cv4 n HIS 92 Ca -0.11 0.08 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2cv4 n HIS 92 Cb 1.03 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 2cv4 n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2cv4 n ILE 93 N -2.44 0.00 -1.02 1.59 5.41 0.79 -5.01 119.36 118.69 2cv4 n ILE 93 Ca -0.06 -0.31 -0.01 0.00 1.00 0.00 0.00 62.75 63.37 2cv4 n ILE 93 Cb 0.64 0.90 -0.00 0.00 -0.71 0.00 0.00 39.64 40.47 2cv4 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cv4 n GLY 94 N 1.30 0.47 3.13 7.39 0.00 -0.90 -5.00 105.19 111.59 2cv4 n GLY 94 Ca 0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2cv4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s VAL 95 N -1.95 1.62 -0.21 1.61 0.11 -1.25 -4.98 120.40 115.35 2cv4 s VAL 95 Ca 0.00 -0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 58.09 2cv4 s VAL 95 Cb 0.00 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 2cv4 s VAL 95 CO 0.00 0.46 0.57 -0.60 -3.33 0.00 0.00 175.10 172.21 2cv4 s ARG 96 N 0.45 4.17 -0.41 1.54 3.52 -1.26 -3.09 118.95 123.87 2cv4 s ARG 96 Ca -0.16 0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 55.65 2cv4 s ARG 96 Cb -0.17 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 2cv4 s ARG 96 CO 0.06 -0.24 1.14 0.42 -0.81 0.00 0.00 175.30 175.87 2cv4 s ILE 97 N 1.93 4.29 -0.56 4.11 1.09 -1.26 -4.92 121.20 125.88 2cv4 s ILE 97 Ca 0.26 1.39 0.24 0.00 -1.10 0.00 0.00 60.65 61.44 2cv4 s ILE 97 Cb -0.16 -4.50 0.24 0.00 -1.06 0.00 0.00 42.46 36.98 2cv4 s ILE 97 CO 0.10 -0.79 1.57 1.55 -0.10 0.00 0.00 174.94 177.27 2cv4 h PRO 98 N 8.91 0.00 -6.32 2.79 0.13 -1.96 -3.47 132.00 132.08 2cv4 h PRO 98 Ca -0.22 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.37 2cv4 h PRO 98 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2cv4 h PRO 98 CO 1.09 0.00 -0.25 -0.59 -0.23 0.00 0.00 178.00 178.02 2cv4 s PHE 99 N -3.18 3.48 0.60 1.56 -0.71 -1.26 -5.08 117.98 113.39 2cv4 s PHE 99 Ca 0.07 0.50 -0.17 0.00 -1.04 0.00 0.00 56.93 56.30 2cv4 s PHE 99 Cb 0.10 -1.98 -0.03 0.00 -1.21 0.00 0.00 43.02 39.89 2cv4 s PHE 99 CO 0.66 0.30 1.09 -1.25 -1.34 0.00 0.00 175.22 174.68 2cv4 s PRO 100 N -3.30 3.19 -0.10 1.99 0.04 -1.26 -4.85 135.00 130.71 2cv4 s PRO 100 Ca 0.41 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2cv4 s PRO 100 Cb -0.11 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2cv4 s PRO 100 CO 0.28 -0.94 -0.20 0.42 0.04 0.00 0.00 177.00 176.61 2cv4 s ILE 101 N -2.25 1.80 0.23 0.56 1.01 -1.26 -1.13 121.20 120.16 2cv4 s ILE 101 Ca 0.67 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 2cv4 s ILE 101 Cb -0.19 -1.59 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 2cv4 s ILE 101 CO 0.35 0.50 1.26 -0.63 0.00 0.00 0.00 174.94 176.42 2cv4 s ILE 102 N 0.62 3.25 -0.37 2.92 1.01 0.35 -1.66 121.20 127.32 2cv4 s ILE 102 Ca -0.13 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.49 2cv4 s ILE 102 Cb -0.17 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2cv4 s ILE 102 CO 0.04 0.19 0.22 0.00 0.00 0.00 0.00 174.94 175.39 2cv4 s ALA 103 N -0.29 3.32 -0.66 9.38 0.00 0.34 -2.38 121.76 131.47 2cv4 s ALA 103 Ca 0.53 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2cv4 s ALA 103 Cb -0.36 -2.62 0.31 0.00 0.00 0.00 0.00 23.12 20.46 2cv4 s ALA 103 CO 0.41 -1.31 1.00 -3.47 0.00 0.00 0.00 175.76 172.38 2cv4 n ASP 104 N 5.03 4.64 0.19 0.00 2.03 -0.07 -4.60 116.55 123.77 2cv4 n ASP 104 Ca -0.12 -3.61 0.08 0.00 0.52 0.00 0.00 54.79 51.66 2cv4 n ASP 104 Cb 0.47 -0.68 0.42 0.00 -0.72 0.00 0.00 41.12 40.61 2cv4 n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2cv4 h PRO 105 N 3.54 0.00 0.00 -0.67 0.11 -1.64 -1.19 132.00 132.15 2cv4 h PRO 105 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2cv4 h PRO 105 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2cv4 h PRO 105 CO 0.88 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.71 2cv4 n GLN 106 N -2.19 0.85 -0.97 1.05 6.02 -1.26 -4.96 117.38 115.92 2cv4 n GLN 106 Ca -0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 57.00 56.06 2cv4 n GLN 106 Cb 0.35 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.65 2cv4 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cv4 n GLY 107 N -0.22 0.52 0.32 1.08 0.00 -0.45 -4.90 105.19 101.53 2cv4 n GLY 107 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2cv4 n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2cv4 h THR 108 N 0.00 0.28 -0.22 2.61 2.02 -1.93 0.85 112.91 116.52 2cv4 h THR 108 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2cv4 h THR 108 Cb 0.15 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2cv4 h THR 108 CO 0.00 0.00 0.00 0.58 0.37 0.00 0.00 175.52 176.47 2cv4 h VAL 109 N -0.26 1.25 -0.98 3.16 2.07 -1.90 -0.68 116.25 118.91 2cv4 h VAL 109 Ca 0.16 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2cv4 h VAL 109 Cb 0.52 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2cv4 h VAL 109 CO -0.48 0.27 0.64 0.00 0.02 0.00 0.00 177.57 178.02 2cv4 h ALA 110 N 0.80 1.41 -0.14 1.67 0.00 -1.73 -0.64 119.26 120.63 2cv4 h ALA 110 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2cv4 h ALA 110 Cb 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2cv4 h ALA 110 CO 0.01 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.47 2cv4 h ARG 111 N 1.17 0.41 -0.83 0.00 3.08 0.84 0.44 114.38 119.49 2cv4 h ARG 111 Ca 0.41 -0.26 0.20 0.00 0.07 0.00 0.00 59.98 60.40 2cv4 h ARG 111 Cb 0.12 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 2cv4 h ARG 111 CO -0.15 0.86 0.57 -0.09 -1.07 0.00 0.00 179.97 180.08 2cv4 h ARG 112 N 0.01 0.28 -0.38 0.04 9.65 -0.45 -0.02 114.38 123.51 2cv4 h ARG 112 Ca 0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2cv4 h ARG 112 Cb 0.84 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 2cv4 h ARG 112 CO 0.06 0.19 0.00 1.28 2.80 0.00 0.00 179.97 184.29 2cv4 n LEU 113 N -4.45 3.26 -1.93 3.80 4.77 -0.31 -4.80 117.00 117.35 2cv4 n LEU 113 Ca 0.17 -1.41 -0.17 0.00 -0.03 0.00 0.00 56.01 54.57 2cv4 n LEU 113 Cb 0.71 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2cv4 n LEU 113 CO 0.33 0.71 -0.20 0.61 -1.33 0.00 0.00 177.39 177.50 2cv4 n GLY 114 N 1.47 -0.32 0.38 -0.72 0.00 -0.02 -4.42 105.19 101.56 2cv4 n GLY 114 Ca 0.19 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2cv4 n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cv4 n LEU 115 N -2.43 1.19 -4.47 0.99 4.77 0.14 -4.57 117.00 112.62 2cv4 n LEU 115 Ca -0.19 -0.40 -0.44 0.00 -0.03 0.00 0.00 56.01 54.95 2cv4 n LEU 115 Cb 0.65 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2cv4 n LEU 115 CO 0.24 0.20 1.33 -0.22 -1.33 0.00 0.00 177.39 177.60 2cv4 s LEU 116 N -1.97 4.90 0.00 2.23 2.96 -1.24 -1.34 118.68 124.21 2cv4 s LEU 116 Ca 0.40 -2.63 -0.10 0.00 -0.22 0.00 0.00 54.13 51.58 2cv4 s LEU 116 Cb 0.21 -2.42 0.13 0.00 0.50 0.00 0.00 46.19 44.61 2cv4 s LEU 116 CO 0.34 -0.90 0.77 1.41 -1.32 0.00 0.00 176.35 176.65 2cv4 n HIS 117 N 6.24 -3.98 -0.59 5.38 8.25 -1.26 -4.97 115.22 124.28 2cv4 n HIS 117 Ca 0.34 -0.68 0.04 0.00 -0.26 0.00 0.00 57.72 57.16 2cv4 n HIS 117 Cb 0.45 -0.60 0.33 0.00 1.12 0.00 0.00 29.99 31.29 2cv4 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cv4 n ALA 118 N -3.52 3.74 1.21 -1.41 0.00 -1.26 -4.00 120.51 115.27 2cv4 n ALA 118 Ca -0.13 -1.63 0.13 0.00 0.00 0.00 0.00 53.44 51.81 2cv4 n ALA 118 Cb 0.34 -1.12 0.43 0.00 0.00 0.00 0.00 19.45 19.10 2cv4 n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cv4 n GLU 119 N 0.45 0.53 0.00 0.00 2.13 -1.26 -4.84 120.64 117.64 2cv4 n GLU 119 Ca 0.25 -0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2cv4 n GLU 119 Cb 1.06 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2cv4 n GLU 119 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2cv4 n SER 120 N -1.01 0.00 -4.74 4.31 7.64 -1.26 -5.13 113.62 113.43 2cv4 n SER 120 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 2cv4 n SER 120 Cb 0.32 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.60 2cv4 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cv4 s ALA 121 N 0.00 2.27 0.59 -0.43 0.00 -1.26 -4.62 121.76 118.30 2cv4 s ALA 121 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2cv4 s ALA 121 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2cv4 s ALA 121 CO 0.00 -1.61 0.00 0.25 0.00 0.00 0.00 175.76 174.40 2cv4 n THR 122 N -2.60 -1.13 -2.49 0.00 -2.24 -1.26 -4.97 114.28 99.59 2cv4 n THR 122 Ca 0.12 0.96 -0.05 0.00 -2.27 0.00 0.00 64.05 62.82 2cv4 n THR 122 Cb 0.51 -1.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 2cv4 n THR 122 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2cv4 n HIS 123 N -4.09 -4.35 -1.65 4.78 -0.00 -1.26 -4.94 115.22 103.72 2cv4 n HIS 123 Ca -0.08 2.54 -0.38 0.00 -0.00 0.00 0.00 57.72 59.81 2cv4 n HIS 123 Cb 0.62 -3.81 0.05 0.00 -0.00 0.00 0.00 29.99 26.85 2cv4 n HIS 123 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2cv4 n THR 124 N 1.64 3.85 -0.73 1.59 -1.04 -1.26 -4.79 114.28 113.54 2cv4 n THR 124 Ca -0.35 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 60.86 2cv4 n THR 124 Cb 0.54 -1.25 0.27 0.00 -1.82 0.00 0.00 70.33 68.06 2cv4 n THR 124 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2cv4 s VAL 125 N -1.46 1.35 -0.96 12.58 1.01 -0.45 -3.15 120.40 129.32 2cv4 s VAL 125 Ca 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 2cv4 s VAL 125 Cb -0.42 -2.29 0.32 0.00 0.00 0.00 0.00 36.38 33.99 2cv4 s VAL 125 CO 0.47 0.00 1.93 -1.14 0.00 0.00 0.00 175.10 176.36 2cv4 n ARG 126 N -5.25 4.33 -2.85 2.72 0.63 -1.25 -3.88 116.66 111.11 2cv4 n ARG 126 Ca 0.14 -4.16 -0.30 0.00 -0.92 0.00 0.00 57.85 52.61 2cv4 n ARG 126 Cb 0.60 -2.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.09 2cv4 n ARG 126 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2cv4 s GLY 127 N -1.18 1.91 -0.04 5.14 0.00 -1.26 -2.46 107.32 109.43 2cv4 s GLY 127 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2cv4 s GLY 127 CO -0.24 -0.05 -0.01 0.14 0.00 0.00 0.00 173.10 172.94 2cv4 s VAL 128 N -2.39 0.29 -0.11 1.40 1.01 0.10 -0.95 120.40 119.75 2cv4 s VAL 128 Ca 0.51 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2cv4 s VAL 128 Cb -0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2cv4 s VAL 128 CO 0.32 0.19 -0.15 -0.36 0.00 0.00 0.00 175.10 175.10 2cv4 s PHE 129 N 1.24 2.74 -0.26 5.22 0.40 -0.05 -1.32 117.98 125.94 2cv4 s PHE 129 Ca -0.07 -0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 55.60 2cv4 s PHE 129 Cb -0.13 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 2cv4 s PHE 129 CO -0.02 -0.16 0.03 0.42 0.70 0.00 0.00 175.22 176.19 2cv4 s ILE 130 N 0.11 3.83 -0.06 0.64 1.01 -0.46 -1.26 121.20 125.02 2cv4 s ILE 130 Ca -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2cv4 s ILE 130 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2cv4 s ILE 130 CO 0.05 0.27 -0.24 -0.69 0.00 0.00 0.00 174.94 174.33 2cv4 s VAL 131 N 1.52 2.14 0.76 2.92 1.01 -0.36 -0.26 120.40 128.13 2cv4 s VAL 131 Ca 0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2cv4 s VAL 131 Cb -0.16 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.60 2cv4 s VAL 131 CO 0.01 0.57 1.05 -0.90 0.00 0.00 0.00 175.10 175.82 2cv4 n ASP 132 N 2.96 0.97 0.00 3.32 5.68 -0.25 -1.67 116.55 127.56 2cv4 n ASP 132 Ca -0.17 -1.92 0.07 0.00 -0.50 0.00 0.00 54.79 52.26 2cv4 n ASP 132 Cb 0.52 -0.72 0.38 0.00 -1.14 0.00 0.00 41.12 40.17 2cv4 n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cv4 n ALA 133 N -3.16 1.93 -0.76 2.12 0.00 -1.25 -1.03 120.51 118.36 2cv4 n ALA 133 Ca -0.17 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.27 2cv4 n ALA 133 Cb 0.56 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 19.04 2cv4 n ALA 133 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2cv4 n ARG 134 N -1.09 3.06 -0.99 0.00 1.85 -1.26 -4.63 116.66 113.61 2cv4 n ARG 134 Ca 0.09 -2.66 0.00 0.00 -1.00 0.00 0.00 57.85 54.28 2cv4 n ARG 134 Cb 0.06 -1.72 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 2cv4 n ARG 134 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cv4 n GLY 135 N -0.10 0.53 3.79 2.89 0.00 -0.20 -4.97 105.19 107.13 2cv4 n GLY 135 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2cv4 n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 136 N -2.20 4.93 -0.14 1.61 1.01 -1.26 -0.21 120.40 124.14 2cv4 s VAL 136 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 2cv4 s VAL 136 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2cv4 s VAL 136 CO 0.00 0.50 1.18 -0.63 0.00 0.00 0.00 175.10 176.15 2cv4 s ILE 137 N -0.65 4.40 -0.05 2.22 1.01 -0.70 -1.09 121.20 126.34 2cv4 s ILE 137 Ca 0.27 1.70 0.14 0.00 0.00 0.00 0.00 60.65 62.77 2cv4 s ILE 137 Cb -0.18 -4.09 -0.22 0.00 0.01 0.00 0.00 42.46 37.98 2cv4 s ILE 137 CO 0.16 -0.10 0.26 0.54 0.00 0.00 0.00 174.94 175.80 2cv4 n ARG 138 N 6.03 0.75 -1.07 2.79 5.12 0.64 -1.07 116.66 129.85 2cv4 n ARG 138 Ca 0.12 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2cv4 n ARG 138 Cb 0.46 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 2cv4 n ARG 138 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2cv4 n THR 139 N -2.14 0.00 -3.65 0.55 -1.04 -1.18 -4.93 114.28 101.90 2cv4 n THR 139 Ca -0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 2cv4 n THR 139 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.97 2cv4 n THR 139 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cv4 s LEU 141 N 0.00 -0.23 -0.38 -4.42 1.43 -0.44 -1.35 118.68 113.29 2cv4 s LEU 141 Ca 0.00 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 2cv4 s LEU 141 Cb 0.00 1.40 0.11 0.00 0.03 0.00 0.00 46.19 47.73 2cv4 s LEU 141 CO 0.00 -0.07 0.14 -0.31 0.23 0.00 0.00 176.35 176.34 2cv4 s TYR 142 N 0.58 2.52 0.28 0.29 2.02 -1.26 -0.72 117.35 121.06 2cv4 s TYR 142 Ca -0.01 -2.45 -0.03 0.00 -0.37 0.00 0.00 57.07 54.22 2cv4 s TYR 142 Cb -0.04 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2cv4 s TYR 142 CO -0.12 -0.85 0.51 0.71 -1.57 0.00 0.00 175.55 174.22 2cv4 s TYR 143 N 0.85 3.48 0.00 2.71 4.12 -1.03 -5.00 117.35 122.48 2cv4 s TYR 143 Ca 0.13 0.50 0.00 0.00 0.02 0.00 0.00 57.07 57.72 2cv4 s TYR 143 Cb -0.21 -1.99 0.00 0.00 -1.52 0.00 0.00 41.96 38.24 2cv4 s TYR 143 CO -0.11 0.22 0.00 -0.35 0.02 0.00 0.00 175.55 175.33 2cv4 n PRO 144 N -1.05 0.00 0.00 -1.71 -0.04 -1.26 -3.79 135.00 127.15 2cv4 n PRO 144 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2cv4 n PRO 144 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2cv4 n PRO 144 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2cv4 n GLU 146 N 0.00 0.00 -4.02 0.54 0.00 -1.26 -4.69 120.64 111.22 2cv4 n GLU 146 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 2cv4 n GLU 146 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 2cv4 n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2cv4 s LEU 147 N 0.00 2.81 0.62 -1.84 0.20 -1.26 -5.08 118.68 114.13 2cv4 s LEU 147 Ca 0.00 -1.15 -0.18 0.00 0.69 0.00 0.00 54.13 53.48 2cv4 s LEU 147 Cb 0.00 -1.36 -0.02 0.00 -0.43 0.00 0.00 46.19 44.38 2cv4 s LEU 147 CO 0.00 -0.18 1.23 -0.83 -0.29 0.00 0.00 176.35 176.28 2cv4 s GLY 148 N 1.27 2.74 0.84 7.98 0.00 -1.26 -4.94 107.32 113.95 2cv4 s GLY 148 Ca -0.05 1.05 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 2cv4 s GLY 148 CO -0.07 1.45 1.12 0.50 0.00 0.00 0.00 173.10 176.10 2cv4 s ARG 149 N -3.39 1.70 -0.67 2.90 0.52 -1.26 -5.01 118.95 113.75 2cv4 s ARG 149 Ca 0.78 0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 56.32 2cv4 s ARG 149 Cb -0.32 -1.89 0.17 0.00 0.52 0.00 0.00 34.95 33.43 2cv4 s ARG 149 CO 0.35 -1.84 0.56 -1.17 0.02 0.00 0.00 175.30 173.23 2cv4 s LEU 150 N -5.85 6.10 0.38 2.53 0.20 -1.26 -4.98 118.68 115.80 2cv4 s LEU 150 Ca 0.62 -2.45 0.06 0.00 0.69 0.00 0.00 54.13 53.05 2cv4 s LEU 150 Cb -0.14 -2.08 0.76 0.00 -0.43 0.00 0.00 46.19 44.30 2cv4 s LEU 150 CO 0.53 -0.59 2.00 0.58 -0.29 0.00 0.00 176.35 178.58 2cv4 h VAL 151 N 5.34 1.14 -0.13 1.68 2.07 -1.96 -2.04 116.25 122.34 2cv4 h VAL 151 Ca -0.04 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2cv4 h VAL 151 Cb 1.03 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2cv4 h VAL 151 CO 0.80 0.16 0.09 0.44 0.02 0.00 0.00 177.57 179.08 2cv4 h ASP 152 N 0.56 0.02 0.50 0.57 3.32 -1.93 0.97 116.42 120.43 2cv4 h ASP 152 Ca 0.14 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 2cv4 h ASP 152 Cb 0.05 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2cv4 h ASP 152 CO -0.02 0.02 -0.52 -0.08 -1.72 0.00 0.00 179.24 176.92 2cv4 h GLU 153 N 0.03 0.02 -0.39 3.56 4.57 -1.73 -0.80 114.58 119.85 2cv4 h GLU 153 Ca 0.06 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 2cv4 h GLU 153 Cb 0.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2cv4 h GLU 153 CO -0.00 0.53 -0.29 0.82 -1.18 0.00 0.00 179.01 178.89 2cv4 h ILE 154 N 0.02 1.28 -0.19 2.32 2.04 -0.83 -0.75 117.51 121.40 2cv4 h ILE 154 Ca -0.00 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 2cv4 h ILE 154 Cb 0.92 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2cv4 h ILE 154 CO 0.07 0.48 0.08 -0.07 0.00 0.00 0.00 178.15 178.71 2cv4 h LEU 155 N 0.71 0.26 -0.63 1.44 3.38 -1.14 -2.08 115.31 117.25 2cv4 h LEU 155 Ca 0.08 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2cv4 h LEU 155 Cb 0.84 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2cv4 h LEU 155 CO 0.07 0.34 0.30 -0.09 0.09 0.00 0.00 178.44 179.15 2cv4 h ARG 156 N 0.15 0.53 -0.20 1.13 2.43 -0.89 0.14 114.38 117.67 2cv4 h ARG 156 Ca 0.06 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2cv4 h ARG 156 Cb 0.16 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2cv4 h ARG 156 CO -0.01 0.35 0.12 0.82 -1.51 0.00 0.00 179.97 179.74 2cv4 h ILE 157 N 0.54 1.03 -0.22 1.20 2.04 -0.94 -0.53 117.51 120.62 2cv4 h ILE 157 Ca 0.30 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 2cv4 h ILE 157 Cb 0.28 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2cv4 h ILE 157 CO -0.24 0.04 0.10 0.58 0.00 0.00 0.00 178.15 178.63 2cv4 h VAL 158 N 0.24 1.15 0.41 1.67 2.07 -0.71 -0.75 116.25 120.34 2cv4 h VAL 158 Ca 0.08 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2cv4 h VAL 158 Cb -0.01 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2cv4 h VAL 158 CO -0.03 0.15 -0.50 0.50 0.02 0.00 0.00 177.57 177.71 2cv4 h LYS 159 N 0.22 -0.90 -0.70 1.57 1.63 -0.59 -1.91 116.57 115.88 2cv4 h LYS 159 Ca 0.08 0.06 0.14 0.00 -0.85 0.00 0.00 60.65 60.08 2cv4 h LYS 159 Cb 0.15 0.20 -0.10 0.00 -0.60 0.00 0.00 32.23 31.89 2cv4 h LYS 159 CO -0.01 -0.60 0.19 0.00 -3.45 0.00 0.00 179.45 175.58 2cv4 h ALA 160 N -0.74 0.90 -0.65 5.00 0.00 -1.03 -0.65 119.26 122.08 2cv4 h ALA 160 Ca -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2cv4 h ALA 160 Cb 0.84 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2cv4 h ALA 160 CO -0.12 -0.30 0.29 -0.07 0.00 0.00 0.00 179.25 179.05 2cv4 h LEU 161 N 0.30 0.88 -0.50 0.00 3.38 -0.94 0.38 115.31 118.82 2cv4 h LEU 161 Ca 0.38 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2cv4 h LEU 161 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2cv4 h LEU 161 CO -0.45 0.79 0.06 0.11 0.09 0.00 0.00 178.44 179.04 2cv4 h LYS 162 N 0.91 0.83 -0.50 1.13 1.57 -0.53 0.11 116.57 120.10 2cv4 h LYS 162 Ca 0.22 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2cv4 h LYS 162 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2cv4 h LYS 162 CO -0.02 0.84 0.25 -0.07 -0.57 0.00 0.00 179.45 179.88 2cv4 h LEU 163 N 0.71 0.65 -0.77 2.94 3.38 -0.78 -0.37 115.31 121.07 2cv4 h LEU 163 Ca 0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2cv4 h LEU 163 Cb 0.43 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2cv4 h LEU 163 CO 0.01 0.59 0.51 1.23 0.09 0.00 0.00 178.44 180.87 2cv4 h GLY 164 N 0.67 1.08 0.75 0.83 0.00 0.13 -0.81 103.07 105.72 2cv4 h GLY 164 Ca 0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2cv4 h GLY 164 CO -0.02 0.39 -0.04 -0.55 0.00 0.00 0.00 176.54 176.31 2cv4 h ASP 165 N 1.04 0.29 -0.15 0.19 3.32 -0.40 -0.18 116.42 120.53 2cv4 h ASP 165 Ca 0.28 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 2cv4 h ASP 165 Cb -0.11 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2cv4 h ASP 165 CO -0.07 0.60 -0.56 0.77 -1.72 0.00 0.00 179.24 178.27 2cv4 h SER 166 N -0.03 0.83 -0.29 6.45 4.64 -0.84 -3.13 113.55 121.16 2cv4 h SER 166 Ca 0.03 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2cv4 h SER 166 Cb 0.48 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2cv4 h SER 166 CO 0.02 1.21 0.00 0.18 -0.87 0.00 0.00 176.83 177.37 2cv4 n LEU 167 N -3.98 2.49 -3.73 5.97 4.77 -0.33 -4.96 117.00 117.22 2cv4 n LEU 167 Ca -0.04 -1.08 -0.31 0.00 -0.03 0.00 0.00 56.01 54.55 2cv4 n LEU 167 Cb 0.62 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2cv4 n LEU 167 CO 0.49 0.54 -0.10 0.29 -1.33 0.00 0.00 177.39 177.29 2cv4 n LYS 168 N 0.86 -1.57 -4.13 3.23 5.02 -0.46 -4.99 118.16 116.13 2cv4 n LYS 168 Ca 0.17 0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 56.81 2cv4 n LYS 168 Cb 0.45 -4.14 -0.10 0.00 -0.02 0.00 0.00 35.03 31.22 2cv4 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cv4 s ARG 169 N -6.12 0.72 0.15 1.97 1.81 -0.21 -4.66 118.95 112.61 2cv4 s ARG 169 Ca 0.40 -1.28 0.03 0.00 -1.72 0.00 0.00 55.73 53.16 2cv4 s ARG 169 Cb -0.15 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 2cv4 s ARG 169 CO 0.87 -0.08 0.27 0.00 -0.68 0.00 0.00 175.30 175.68 2cv4 s ALA 170 N -3.80 3.92 -0.16 2.13 0.00 0.22 -4.47 121.76 119.60 2cv4 s ALA 170 Ca 0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2cv4 s ALA 170 Cb 0.07 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2cv4 s ALA 170 CO -0.07 0.54 -0.05 0.08 0.00 0.00 0.00 175.76 176.26 2cv4 s VAL 171 N -1.74 3.79 0.64 0.00 1.01 -1.26 -0.72 120.40 122.12 2cv4 s VAL 171 Ca 0.34 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2cv4 s VAL 171 Cb -0.11 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2cv4 s VAL 171 CO 0.28 0.49 1.07 -2.16 0.00 0.00 0.00 175.10 174.78 2cv4 s PRO 172 N 0.43 3.03 0.26 2.72 0.04 -1.26 -4.96 135.00 135.27 2cv4 s PRO 172 Ca -0.04 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 2cv4 s PRO 172 Cb -0.14 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 2cv4 s PRO 172 CO 0.03 -1.04 1.09 0.00 0.04 0.00 0.00 177.00 177.12 2cv4 n ALA 173 N -2.47 -0.16 -1.11 8.56 0.00 -1.26 -2.00 120.51 122.06 2cv4 n ALA 173 Ca 0.09 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 2cv4 n ALA 173 Cb 0.53 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2cv4 n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cv4 n ASP 174 N 1.44 -5.19 -4.68 0.00 8.00 -1.26 -4.11 116.55 110.74 2cv4 n ASP 174 Ca 0.11 0.10 -0.39 0.00 0.71 0.00 0.00 54.79 55.31 2cv4 n ASP 174 Cb 0.31 -3.03 0.04 0.00 -0.02 0.00 0.00 41.12 38.41 2cv4 n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2cv4 n TRP 175 N -2.31 1.72 0.57 1.24 -0.00 -0.85 -0.64 117.44 117.17 2cv4 n TRP 175 Ca -0.04 0.46 0.02 0.00 -0.00 0.00 0.00 57.50 57.94 2cv4 n TRP 175 Cb 0.42 -2.28 0.11 0.00 -0.00 0.00 0.00 31.31 29.55 2cv4 n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2cv4 n PRO 176 N -0.72 1.99 -2.27 5.87 -0.04 -1.26 -4.90 135.00 133.66 2cv4 n PRO 176 Ca 0.11 -0.83 -0.29 0.00 -0.04 0.00 0.00 63.50 62.45 2cv4 n PRO 176 Cb 0.44 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2cv4 n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cv4 n ASN 177 N 0.16 5.29 -4.75 3.54 3.02 0.18 -3.03 115.26 119.66 2cv4 n ASN 177 Ca 0.07 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.47 2cv4 n ASN 177 Cb 0.47 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2cv4 n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2cv4 s ASN 178 N -3.12 6.81 0.45 6.41 2.47 -0.52 -4.83 114.94 122.60 2cv4 s ASN 178 Ca 0.50 2.55 0.22 0.00 0.42 0.00 0.00 52.86 56.55 2cv4 s ASN 178 Cb 0.41 -2.62 1.04 0.00 -1.45 0.00 0.00 41.25 38.62 2cv4 s ASN 178 CO -0.18 -0.57 1.90 -0.33 -3.72 0.00 0.00 177.10 174.21 2cv4 h GLU 179 N 4.69 0.00 0.11 0.43 5.08 -1.88 0.40 114.58 123.41 2cv4 h GLU 179 Ca -0.46 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.61 2cv4 h GLU 179 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2cv4 h GLU 179 CO 0.74 0.24 -1.50 0.82 -1.00 0.00 0.00 179.01 178.31 2cv4 h ILE 180 N 0.00 0.95 0.00 3.13 2.04 -1.94 -3.42 117.51 118.27 2cv4 h ILE 180 Ca -0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 2cv4 h ILE 180 Cb 0.61 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2cv4 h ILE 180 CO 0.03 0.70 -0.09 2.30 0.00 0.00 0.00 178.15 181.09 2cv4 n ILE 181 N -3.90 0.68 0.00 -0.67 -5.35 -1.24 -5.10 119.36 103.79 2cv4 n ILE 181 Ca -0.27 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2cv4 n ILE 181 Cb 0.90 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 2cv4 n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2cv4 n GLY 182 N -0.43 1.57 1.20 3.28 0.00 0.14 -1.29 105.19 109.65 2cv4 n GLY 182 Ca 0.03 0.41 0.11 0.00 0.00 0.00 0.00 46.02 46.57 2cv4 n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cv4 n GLU 183 N 1.03 2.51 -2.25 1.61 0.28 -1.17 -1.44 120.64 121.20 2cv4 n GLU 183 Ca 0.00 -2.34 -0.37 0.00 -0.16 0.00 0.00 57.16 54.29 2cv4 n GLU 183 Cb 0.00 -1.51 -0.01 0.00 1.43 0.00 0.00 31.44 31.35 2cv4 n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2cv4 s GLY 184 N -1.05 2.78 -0.13 -1.84 0.00 -0.41 -4.83 107.32 101.84 2cv4 s GLY 184 Ca 0.43 0.94 -0.05 0.00 0.00 0.00 0.00 44.72 46.04 2cv4 s GLY 184 CO 0.30 1.40 0.06 1.08 0.00 0.00 0.00 173.10 175.94 2cv4 s LEU 185 N -3.03 3.89 0.01 0.66 1.43 -0.73 -4.49 118.68 116.41 2cv4 s LEU 185 Ca 0.64 0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.67 2cv4 s LEU 185 Cb -0.29 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2cv4 s LEU 185 CO 0.35 0.31 0.90 -0.63 0.23 0.00 0.00 176.35 177.51 2cv4 s ILE 186 N -0.48 4.83 0.04 -0.59 1.01 0.10 -2.16 121.20 123.95 2cv4 s ILE 186 Ca 0.10 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 2cv4 s ILE 186 Cb -0.12 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2cv4 s ILE 186 CO 0.02 0.23 1.04 -0.69 0.00 0.00 0.00 174.94 175.54 2cv4 s VAL 187 N 0.69 4.54 0.14 2.92 1.01 0.01 -0.61 120.40 129.09 2cv4 s VAL 187 Ca 0.47 1.87 -0.35 0.00 0.00 0.00 0.00 61.98 63.97 2cv4 s VAL 187 Cb -0.21 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 2cv4 s VAL 187 CO 0.26 0.17 1.45 -2.65 0.00 0.00 0.00 175.10 174.33 2cv4 n PRO 188 N 3.68 1.69 -1.22 2.72 -0.02 -1.26 -4.57 135.00 136.02 2cv4 n PRO 188 Ca 0.06 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 2cv4 n PRO 188 Cb 0.49 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.76 2cv4 n PRO 188 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2cv4 n PRO 189 N 2.85 0.30 -2.50 0.52 -0.02 -1.26 -4.95 135.00 129.93 2cv4 n PRO 189 Ca 0.17 0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 2cv4 n PRO 189 Cb 0.25 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 2cv4 n PRO 189 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2cv4 s PRO 190 N -3.35 4.15 0.00 0.52 0.02 -1.26 -4.97 135.00 130.11 2cv4 s PRO 190 Ca 0.69 1.57 0.11 0.00 0.02 0.00 0.00 61.00 63.40 2cv4 s PRO 190 Cb -0.32 -2.58 0.17 0.00 0.02 0.00 0.00 34.50 31.79 2cv4 s PRO 190 CO 0.54 -0.17 1.00 0.25 -0.33 0.00 0.00 177.00 178.30 2cv4 n THR 191 N -0.02 0.34 -4.13 0.99 -2.24 -1.26 -4.90 114.28 103.05 2cv4 n THR 191 Ca 0.05 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 2cv4 n THR 191 Cb 0.49 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2cv4 n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cv4 s THR 192 N -0.97 0.54 0.19 4.28 -4.23 -1.26 -5.06 115.64 109.13 2cv4 s THR 192 Ca 0.17 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 2cv4 s THR 192 Cb 0.11 -1.50 0.11 0.00 1.34 0.00 0.00 72.50 72.56 2cv4 s THR 192 CO 0.15 -0.85 1.74 -0.33 -0.54 0.00 0.00 174.62 174.79 2cv4 h GLU 193 N 3.21 0.32 -0.36 3.99 5.08 -1.99 -1.15 114.58 123.68 2cv4 h GLU 193 Ca -0.35 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2cv4 h GLU 193 Cb 1.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2cv4 h GLU 193 CO 0.62 0.21 0.18 -0.44 -1.00 0.00 0.00 179.01 178.58 2cv4 h ASP 194 N 0.33 0.47 -0.99 1.42 3.32 -1.99 -1.14 116.42 117.84 2cv4 h ASP 194 Ca 0.26 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2cv4 h ASP 194 Cb 0.31 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2cv4 h ASP 194 CO -0.28 0.46 0.65 -0.61 -1.72 0.00 0.00 179.24 177.74 2cv4 h GLN 195 N 0.45 1.24 -0.15 3.56 4.15 -1.89 0.35 115.11 122.82 2cv4 h GLN 195 Ca 0.13 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 2cv4 h GLN 195 Cb 0.11 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2cv4 h GLN 195 CO -0.02 0.82 -0.37 0.00 -1.93 0.00 0.00 178.83 177.33 2cv4 h ALA 196 N 1.41 1.08 -0.13 3.38 0.00 -0.56 -1.82 119.26 122.63 2cv4 h ALA 196 Ca 0.39 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2cv4 h ALA 196 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2cv4 h ALA 196 CO -0.11 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.42 2cv4 h ARG 197 N 0.28 0.42 -0.51 0.00 3.08 -0.75 -2.95 114.38 113.96 2cv4 h ARG 197 Ca 0.03 -0.29 0.15 0.00 0.07 0.00 0.00 59.98 59.94 2cv4 h ARG 197 Cb 0.79 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2cv4 h ARG 197 CO 0.06 0.90 0.37 0.00 -1.07 0.00 0.00 179.97 180.23 2cv4 h ALA 198 N 0.53 2.47 -1.93 0.04 0.00 -0.74 -3.52 119.26 116.11 2cv4 h ALA 198 Ca -0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 2cv4 h ALA 198 Cb 0.90 0.04 0.21 0.00 0.00 0.00 0.00 17.79 18.94 2cv4 h ALA 198 CO 0.06 -0.64 -0.17 0.54 0.00 0.00 0.00 179.25 179.05 2cv4 n ARG 199 N -4.35 -4.57 -4.02 0.00 1.74 -0.70 -5.09 116.66 99.66 2cv4 n ARG 199 Ca 0.09 -1.35 -0.31 0.00 -0.77 0.00 0.00 57.85 55.51 2cv4 n ARG 199 Cb 0.59 -1.92 -0.15 0.00 -1.02 0.00 0.00 32.46 29.96 2cv4 n ARG 199 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2cv4 s GLU 201 N -4.93 1.67 0.00 5.56 2.12 -1.26 -5.04 118.70 116.83 2cv4 s GLU 201 Ca 0.66 -1.69 0.00 0.00 0.36 0.00 0.00 54.97 54.30 2cv4 s GLU 201 Cb -0.13 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2cv4 s GLU 201 CO 0.56 -0.83 0.00 0.45 -0.54 0.00 0.00 175.26 174.90 2cv4 n SER 202 N 4.33 0.07 -4.05 -1.70 2.88 -1.18 -4.99 113.62 108.97 2cv4 n SER 202 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.18 2cv4 n SER 202 Cb 0.42 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 2cv4 n SER 202 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cv4 s GLY 203 N -0.26 2.52 0.00 0.46 0.00 -1.26 -4.04 107.32 104.75 2cv4 s GLY 203 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 44.72 41.41 2cv4 s GLY 203 CO 0.00 1.08 0.00 -1.06 0.00 0.00 0.00 173.10 173.12 2cv4 n GLN 204 N 3.31 0.00 -2.96 2.90 1.13 -1.26 -5.08 117.38 115.42 2cv4 n GLN 204 Ca 0.08 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.99 2cv4 n GLN 204 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.70 2cv4 n GLN 204 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2cv4 n TYR 205 N 0.00 -2.07 -1.91 1.08 0.53 -1.26 -4.36 117.16 109.17 2cv4 n TYR 205 Ca 0.00 -2.53 -0.37 0.00 -1.02 0.00 0.00 57.90 53.98 2cv4 n TYR 205 Cb 0.00 0.73 0.04 0.00 -1.03 0.00 0.00 39.34 39.08 2cv4 n TYR 205 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2cv4 s ARG 206 N -0.07 3.00 0.01 -0.72 3.00 -0.80 -3.11 118.95 120.27 2cv4 s ARG 206 Ca 0.33 1.99 0.01 0.00 0.00 0.00 0.00 55.73 58.06 2cv4 s ARG 206 Cb 0.18 -2.05 -0.01 0.00 0.00 0.00 0.00 34.95 33.07 2cv4 s ARG 206 CO -0.18 -1.22 -0.03 0.00 0.00 0.00 0.00 175.30 173.87 2cv4 n LEU 208 N 2.20 0.00 -3.80 0.00 4.77 -0.26 -5.00 117.00 114.92 2cv4 n LEU 208 Ca -0.19 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 2cv4 n LEU 208 Cb 0.57 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2cv4 n LEU 208 CO 0.23 0.13 0.69 -0.62 -1.33 0.00 0.00 177.39 176.49 2cv4 s ASP 209 N -4.50 -0.13 0.57 -1.43 -1.08 -1.25 -4.97 116.67 103.88 2cv4 s ASP 209 Ca -0.08 -0.57 0.30 0.00 -0.52 0.00 0.00 52.55 51.68 2cv4 s ASP 209 Cb 0.10 0.56 1.73 0.00 -1.46 0.00 0.00 42.92 43.85 2cv4 s ASP 209 CO 0.78 -1.06 2.20 4.11 0.52 0.00 0.00 175.17 181.72 2cv4 h TRP 210 N 2.00 0.00 -0.20 -5.34 5.08 -1.96 -1.50 115.95 114.03 2cv4 h TRP 210 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 2cv4 h TRP 210 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 2cv4 h TRP 210 CO 0.71 0.04 0.00 -2.67 -1.28 0.00 0.00 178.44 175.24 2cv4 n TRP 211 N -3.75 0.25 -3.51 0.12 4.27 -1.26 -4.59 117.44 108.97 2cv4 n TRP 211 Ca -0.03 -0.12 -0.27 0.00 -3.89 0.00 0.00 57.50 53.19 2cv4 n TRP 211 Cb 0.13 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.98 2cv4 n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2cv4 s PHE 212 N -1.75 1.63 0.21 -2.67 2.19 -0.56 -4.63 117.98 112.39 2cv4 s PHE 212 Ca 0.34 -2.53 0.11 0.00 0.33 0.00 0.00 56.93 55.19 2cv4 s PHE 212 Cb 0.20 -1.32 -0.04 0.00 -1.31 0.00 0.00 43.02 40.55 2cv4 s PHE 212 CO 0.30 -0.77 -0.23 0.00 1.83 0.00 0.00 175.22 176.35 2cv4 s TRP 214 N -1.88 0.02 0.08 0.00 1.48 -0.65 -0.81 118.94 117.19 2cv4 s TRP 214 Ca 0.22 -0.43 -0.00 0.00 -1.06 0.00 0.00 56.10 54.82 2cv4 s TRP 214 Cb -0.07 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.72 2cv4 s TRP 214 CO 0.10 -1.12 0.11 -0.40 -4.06 0.00 0.00 176.95 171.59 2cv4 n ASP 215 N -0.42 -0.31 -3.22 -2.66 5.75 -0.92 -1.90 116.55 112.87 2cv4 n ASP 215 Ca -0.04 -1.47 -0.24 0.00 -0.01 0.00 0.00 54.79 53.03 2cv4 n ASP 215 Cb 0.60 0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 41.22 2cv4 n ASP 215 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2cv4 n THR 216 N -0.14 0.70 1.64 2.12 -2.24 -1.26 -1.77 114.28 113.33 2cv4 n THR 216 Ca 0.00 -4.65 0.15 0.00 -2.27 0.00 0.00 64.05 57.29 2cv4 n THR 216 Cb 0.14 -1.60 0.82 0.00 -2.10 0.00 0.00 70.33 67.60 2cv4 n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2cv4 n PRO 217 N 0.83 0.66 -2.59 -0.78 -0.04 -1.26 -4.86 135.00 126.97 2cv4 n PRO 217 Ca 0.25 -0.02 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 2cv4 n PRO 217 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2cv4 n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cv4 s ALA 218 N -2.35 3.31 0.67 0.55 0.00 -1.26 -5.01 121.76 117.66 2cv4 s ALA 218 Ca 0.36 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 2cv4 s ALA 218 Cb 0.21 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2cv4 s ALA 218 CO 0.43 -0.19 1.14 -1.54 0.00 0.00 0.00 175.76 175.60 2cv4 s SER 219 N 0.22 4.90 0.24 0.00 1.04 -1.26 -4.81 113.70 114.04 2cv4 s SER 219 Ca 0.50 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 59.02 2cv4 s SER 219 Cb -0.27 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 63.70 2cv4 s SER 219 CO 0.32 -1.78 1.78 -0.09 0.98 0.00 0.00 173.24 174.45 2cv4 h ARG 220 N 0.08 0.63 0.41 4.02 2.43 -1.98 -1.59 114.38 118.38 2cv4 h ARG 220 Ca -0.47 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2cv4 h ARG 220 Cb 1.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2cv4 h ARG 220 CO 0.53 0.42 -0.36 -0.44 -1.51 0.00 0.00 179.97 178.61 2cv4 h ASP 221 N 0.65 -0.96 -0.46 -3.80 3.32 -1.98 0.16 116.42 113.35 2cv4 h ASP 221 Ca 0.40 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.62 2cv4 h ASP 221 Cb 0.46 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.23 2cv4 h ASP 221 CO -0.30 -0.52 -0.24 0.44 -1.72 0.00 0.00 179.24 176.91 2cv4 h ASP 222 N -0.78 -0.81 -0.64 6.45 3.32 -1.81 0.50 116.42 122.66 2cv4 h ASP 222 Ca -0.04 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2cv4 h ASP 222 Cb 0.68 0.43 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2cv4 h ASP 222 CO -0.03 -0.26 0.38 0.58 -1.72 0.00 0.00 179.24 178.19 2cv4 h VAL 223 N -0.14 1.19 -0.41 -1.35 2.07 -1.07 -2.07 116.25 114.46 2cv4 h VAL 223 Ca 0.21 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 2cv4 h VAL 223 Cb 0.48 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2cv4 h VAL 223 CO -0.54 0.20 -0.18 -0.08 0.02 0.00 0.00 177.57 176.98 2cv4 h GLU 224 N 0.89 0.85 -0.86 1.57 4.57 0.15 -1.45 114.58 120.31 2cv4 h GLU 224 Ca 0.23 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2cv4 h GLU 224 Cb -0.02 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2cv4 h GLU 224 CO -0.04 1.00 0.56 1.49 -1.18 0.00 0.00 179.01 180.84 2cv4 h GLU 225 N 0.67 1.15 -0.15 1.92 4.81 0.37 -1.11 114.58 122.24 2cv4 h GLU 225 Ca 0.09 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2cv4 h GLU 225 Cb 0.74 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2cv4 h GLU 225 CO 0.06 0.77 -0.49 0.00 -0.73 0.00 0.00 179.01 178.62 2cv4 h ALA 226 N 1.31 0.88 0.00 2.92 0.00 -1.17 -2.74 119.26 120.46 2cv4 h ALA 226 Ca 0.31 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2cv4 h ALA 226 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2cv4 h ALA 226 CO -0.07 0.66 -0.49 0.00 0.00 0.00 0.00 179.25 179.36 2cv4 h ARG 227 N 0.32 0.00 0.00 0.00 3.08 -0.76 -2.99 114.38 114.04 2cv4 h ARG 227 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2cv4 h ARG 227 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2cv4 h ARG 227 CO 0.08 0.49 0.00 0.07 -1.07 0.00 0.00 179.97 179.54 2cv4 h ARG 228 N 0.00 0.00 -0.13 0.04 0.11 -0.91 -2.11 114.38 111.39 2cv4 h ARG 228 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2cv4 h ARG 228 Cb 0.98 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 2cv4 h ARG 228 CO 0.06 0.00 0.02 1.88 0.10 0.00 0.00 179.97 182.03 2cv4 h TYR 229 N 0.00 0.22 -0.60 4.08 0.05 -1.47 -0.65 116.97 118.60 2cv4 h TYR 229 Ca 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 2cv4 h TYR 229 Cb 0.78 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 2cv4 h TYR 229 CO 0.00 0.39 0.35 -0.07 -1.05 0.00 0.00 178.16 177.78 2cv4 h LEU 230 N -0.02 0.73 -0.85 3.88 4.07 -1.53 -1.73 115.31 119.87 2cv4 h LEU 230 Ca 0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2cv4 h LEU 230 Cb 0.29 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2cv4 h LEU 230 CO 0.00 0.59 0.35 0.03 -1.08 0.00 0.00 178.44 178.34 2cv4 h ARG 231 N 0.82 1.19 -0.33 1.13 3.08 -1.28 0.18 114.38 119.17 2cv4 h ARG 231 Ca 0.21 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2cv4 h ARG 231 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2cv4 h ARG 231 CO -0.04 0.94 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.69 2cv4 h ARG 232 N 1.17 0.51 -0.08 0.04 2.43 -0.66 -0.04 114.38 117.75 2cv4 h ARG 232 Ca 0.27 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 59.16 2cv4 h ARG 232 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2cv4 h ARG 232 CO -0.03 0.56 -0.69 0.00 -1.51 0.00 0.00 179.97 178.30 2cv4 h ALA 233 N 1.49 0.66 0.00 2.80 0.00 -0.64 -3.19 119.26 120.38 2cv4 h ALA 233 Ca 0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2cv4 h ALA 233 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2cv4 h ALA 233 CO 0.01 0.76 -0.29 0.00 0.00 0.00 0.00 179.25 179.73 2cv4 h ALA 234 N 1.01 0.88 -2.71 0.00 0.00 -0.16 -3.46 119.26 114.81 2cv4 h ALA 234 Ca -0.02 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 54.07 2cv4 h ALA 234 Cb 1.25 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2cv4 h ALA 234 CO 0.12 0.36 0.06 -1.21 0.00 0.00 0.00 179.25 178.58 2cv4 s GLU 235 N -3.32 4.37 -0.18 0.00 8.01 -0.11 -5.03 118.70 122.46 2cv4 s GLU 235 Ca 0.03 0.91 -0.29 0.00 0.01 0.00 0.00 54.97 55.62 2cv4 s GLU 235 Cb 0.08 -3.28 -0.02 0.00 -4.31 0.00 0.00 34.13 26.60 2cv4 s GLU 235 CO 0.68 0.52 1.32 0.21 0.01 0.00 0.00 175.26 178.00 2cv4 s LYS 236 N -0.79 4.16 0.27 1.61 2.20 -1.26 -4.94 119.74 120.99 2cv4 s LYS 236 Ca 0.33 1.65 -0.29 0.00 -0.36 0.00 0.00 55.97 57.29 2cv4 s LYS 236 Cb -0.20 -3.81 -0.14 0.00 -1.51 0.00 0.00 37.83 32.16 2cv4 s LYS 236 CO 0.21 -0.81 1.18 -0.35 -0.36 0.00 0.00 175.35 175.23 2cv4 n PRO 237 N 6.81 1.64 0.00 4.03 -0.04 -1.26 -4.87 135.00 141.31 2cv4 n PRO 237 Ca 0.15 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 2cv4 n PRO 237 Cb 0.45 -2.08 0.55 0.00 -0.04 0.00 0.00 33.50 32.39 2cv4 n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cv4 n ALA 238 N 0.82 2.62 -3.27 0.55 0.00 -1.26 -4.63 120.51 115.34 2cv4 n ALA 238 Ca 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 2cv4 n ALA 238 Cb 0.32 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2cv4 n ALA 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cv4 s LYS 239 N -2.05 0.44 -0.01 0.00 2.20 -1.26 -5.13 119.74 113.94 2cv4 s LYS 239 Ca 0.38 0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 56.06 2cv4 s LYS 239 Cb 0.21 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 2cv4 s LYS 239 CO 0.35 -0.92 0.95 -0.51 -0.36 0.00 0.00 175.35 174.86 2cv4 s LEU 240 N 2.63 4.37 0.00 5.43 1.43 -1.26 -4.96 118.68 126.31 2cv4 s LEU 240 Ca 0.11 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.91 2cv4 s LEU 240 Cb -0.13 -3.52 0.50 0.00 0.03 0.00 0.00 46.19 43.07 2cv4 s LEU 240 CO -0.26 -0.24 0.94 0.18 0.23 0.00 0.00 176.35 177.20 2cv4 n LEU 241 N 3.87 0.00 0.00 1.79 4.32 -1.26 -5.25 117.00 120.47 2cv4 n LEU 241 Ca 0.05 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.14 2cv4 n LEU 241 Cb 0.51 0.00 0.57 0.00 -1.62 0.00 0.00 43.42 42.88 2cv4 n LEU 241 CO 0.51 0.00 0.76 0.00 -1.22 0.00 0.00 177.39 177.45