#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 -0.35 0.32 0.55 0.00 -1.26 -5.06 107.32 101.52 2cv4 s GLY 3 Ca 0.00 0.80 -0.24 0.00 0.00 0.00 0.00 44.72 45.29 2cv4 s GLY 3 CO 0.00 0.22 0.90 -1.35 0.00 0.00 0.00 173.10 172.87 2cv4 s SER 4 N -2.70 7.21 0.08 1.64 1.04 -1.26 -5.08 113.70 114.63 2cv4 s SER 4 Ca 0.11 1.72 -0.22 0.00 0.48 0.00 0.00 55.95 58.03 2cv4 s SER 4 Cb 0.01 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.65 2cv4 s SER 4 CO -0.03 -0.10 0.54 -0.63 0.98 0.00 0.00 173.24 173.99 2cv4 s ILE 5 N -1.70 0.03 0.69 -1.02 1.09 -1.26 -4.09 121.20 114.94 2cv4 s ILE 5 Ca 0.51 -0.21 -0.13 0.00 -1.10 0.00 0.00 60.65 59.72 2cv4 s ILE 5 Cb -0.16 -1.01 0.01 0.00 -1.06 0.00 0.00 42.46 40.24 2cv4 s ILE 5 CO 0.21 -0.12 1.08 -2.84 -0.10 0.00 0.00 174.94 173.18 2cv4 s PRO 6 N -2.93 2.74 0.20 2.79 0.02 -1.26 -5.02 135.00 131.53 2cv4 s PRO 6 Ca -0.03 1.19 0.10 0.00 0.02 0.00 0.00 61.00 62.28 2cv4 s PRO 6 Cb -0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2cv4 s PRO 6 CO -0.06 -1.27 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.71 2cv4 s LEU 7 N -5.30 2.88 0.35 -5.54 1.43 -1.26 -5.07 118.68 106.15 2cv4 s LEU 7 Ca 0.62 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 2cv4 s LEU 7 Cb -0.17 -1.54 -0.11 0.00 0.03 0.00 0.00 46.19 44.41 2cv4 s LEU 7 CO 0.48 0.09 1.44 -0.63 0.23 0.00 0.00 176.35 177.96 2cv4 s ILE 8 N -1.84 2.31 0.00 -0.59 1.01 -1.26 -1.62 121.20 119.21 2cv4 s ILE 8 Ca 0.25 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2cv4 s ILE 8 Cb -0.08 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.20 2cv4 s ILE 8 CO 0.15 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2cv4 n GLY 9 N 0.84 3.07 3.87 6.18 0.00 0.20 -5.00 105.19 114.35 2cv4 n GLY 9 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.34 3.69 0.43 1.61 2.02 -0.64 -4.74 118.70 120.74 2cv4 s GLU 10 Ca 0.00 0.60 -0.23 0.00 0.02 0.00 0.00 54.97 55.36 2cv4 s GLU 10 Cb 0.00 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 2cv4 s GLU 10 CO 0.00 -0.31 1.04 0.50 0.02 0.00 0.00 175.26 176.51 2cv4 s ARG 11 N -4.59 4.04 0.27 1.61 3.00 -1.26 -1.37 118.95 120.65 2cv4 s ARG 11 Ca 0.53 1.44 -0.29 0.00 -1.00 0.00 0.00 55.73 56.40 2cv4 s ARG 11 Cb -0.10 -2.37 -0.10 0.00 0.00 0.00 0.00 34.95 32.39 2cv4 s ARG 11 CO 0.43 -0.23 1.28 0.12 0.00 0.00 0.00 175.30 176.89 2cv4 s PHE 12 N -1.80 3.23 0.19 5.12 2.19 0.45 -4.82 117.98 122.53 2cv4 s PHE 12 Ca 0.61 1.37 -0.33 0.00 0.33 0.00 0.00 56.93 58.92 2cv4 s PHE 12 Cb -0.19 -3.58 -0.14 0.00 -1.31 0.00 0.00 43.02 37.80 2cv4 s PHE 12 CO 0.24 -1.66 1.47 -2.30 1.83 0.00 0.00 175.22 174.80 2cv4 n PRO 13 N 1.66 2.00 -2.32 10.12 -0.02 -1.26 -4.59 135.00 140.59 2cv4 n PRO 13 Ca 0.02 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 2cv4 n PRO 13 Cb 0.43 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.22 3.92 -0.07 -0.52 2.12 -1.26 -4.41 118.70 118.70 2cv4 s GLU 14 Ca 0.74 1.74 0.05 0.00 0.36 0.00 0.00 54.97 57.86 2cv4 s GLU 14 Cb -0.69 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 2cv4 s GLU 14 CO 0.44 -0.41 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.32 2cv4 s GLU 16 N -2.55 2.54 0.15 4.30 2.02 -1.26 -5.00 118.70 118.91 2cv4 s GLU 16 Ca 0.61 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.87 2cv4 s GLU 16 Cb -0.28 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2cv4 s GLU 16 CO 0.34 0.25 -0.18 0.14 0.02 0.00 0.00 175.26 175.84 2cv4 s VAL 17 N 0.15 1.72 -0.24 2.63 -7.23 0.09 -4.97 120.40 112.55 2cv4 s VAL 17 Ca -0.11 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 2cv4 s VAL 17 Cb -0.15 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2cv4 s VAL 17 CO 0.06 -0.32 0.13 -0.89 -0.31 0.00 0.00 175.10 173.76 2cv4 s THR 18 N -2.03 5.05 0.39 5.32 2.01 -1.26 -1.02 115.64 124.10 2cv4 s THR 18 Ca 0.14 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2cv4 s THR 18 Cb -0.06 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 2cv4 s THR 18 CO 0.06 0.35 0.01 0.42 -0.69 0.00 0.00 174.62 174.77 2cv4 s THR 19 N 1.12 1.92 -2.00 -0.82 -4.23 0.39 -0.11 115.64 111.91 2cv4 s THR 19 Ca 0.06 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2cv4 s THR 19 Cb -0.14 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 70.88 2cv4 s THR 19 CO 0.04 -0.02 0.97 -0.90 -0.54 0.00 0.00 174.62 174.18 2cv4 n ASP 20 N -0.91 0.00 -0.09 3.99 5.68 -0.79 -0.32 116.55 124.11 2cv4 n ASP 20 Ca -0.05 -1.50 0.01 0.00 -0.50 0.00 0.00 54.79 52.75 2cv4 n ASP 20 Cb 0.67 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.57 0.00 0.00 2.11 8.25 -1.26 -4.95 115.22 118.80 2cv4 n HIS 21 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2cv4 n HIS 21 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 0.25 0.35 3.70 -1.41 0.00 0.57 -5.02 105.19 103.62 2cv4 n GLY 22 Ca 0.01 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.69 4.53 0.00 1.61 1.01 -1.26 -0.46 120.40 125.14 2cv4 s VAL 23 Ca 0.00 1.82 0.05 0.00 0.00 0.00 0.00 61.98 63.85 2cv4 s VAL 23 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2cv4 s VAL 23 CO 0.00 0.05 -0.15 -0.63 0.00 0.00 0.00 175.10 174.37 2cv4 s ILE 24 N 1.73 1.20 -0.21 2.22 1.01 -0.19 -4.96 121.20 122.01 2cv4 s ILE 24 Ca 0.53 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 2cv4 s ILE 24 Cb -0.22 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2cv4 s ILE 24 CO 0.23 0.26 0.27 -0.75 0.00 0.00 0.00 174.94 174.95 2cv4 s LYS 25 N -0.56 4.15 -0.00 2.79 2.20 -1.26 -0.73 119.74 126.33 2cv4 s LYS 25 Ca 0.05 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2cv4 s LYS 25 Cb -0.06 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2cv4 s LYS 25 CO -0.00 0.08 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.54 2cv4 s LEU 26 N 0.98 3.41 0.00 5.43 1.43 -1.26 -1.22 118.68 127.46 2cv4 s LEU 26 Ca 0.14 -0.05 0.27 0.00 -1.03 0.00 0.00 54.13 53.46 2cv4 s LEU 26 Cb -0.14 -1.95 0.85 0.00 0.03 0.00 0.00 46.19 44.98 2cv4 s LEU 26 CO 0.05 0.28 1.63 -0.81 0.23 0.00 0.00 176.35 177.73 2cv4 n PRO 27 N 1.45 1.55 -0.24 1.29 -0.04 -1.26 -4.22 135.00 133.53 2cv4 n PRO 27 Ca -0.15 -0.98 -0.03 0.00 -0.04 0.00 0.00 63.50 62.30 2cv4 n PRO 27 Cb 0.53 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2cv4 n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cv4 h ASP 28 N 2.39 -1.09 -0.79 3.54 5.19 -1.96 0.26 116.42 123.96 2cv4 h ASP 28 Ca 0.00 0.24 0.19 0.00 -0.62 0.00 0.00 57.03 56.84 2cv4 h ASP 28 Cb 0.57 0.58 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 2cv4 h ASP 28 CO 0.00 -0.29 0.54 -0.74 -3.12 0.00 0.00 179.24 175.63 2cv4 h HIS 29 N -0.10 0.34 0.10 4.55 2.76 -1.52 -0.41 115.15 120.86 2cv4 h HIS 29 Ca 0.28 0.01 -0.36 0.00 -2.20 0.00 0.00 60.37 58.10 2cv4 h HIS 29 Cb 0.56 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 2cv4 h HIS 29 CO -0.66 0.11 -2.05 0.66 -1.30 0.00 0.00 177.93 174.69 2cv4 n TYR 30 N -4.44 1.04 -0.10 5.26 4.01 -0.68 -4.16 117.16 118.10 2cv4 n TYR 30 Ca 0.16 0.23 -0.06 0.00 -0.16 0.00 0.00 57.90 58.08 2cv4 n TYR 30 Cb 0.68 -1.14 0.01 0.00 -0.31 0.00 0.00 39.34 38.57 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 0.05 0.52 0.00 -0.72 2.07 -0.39 -0.80 116.25 116.99 2cv4 h VAL 31 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2cv4 h VAL 31 Cb 2.02 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2cv4 h VAL 31 CO 0.06 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.11 2cv4 n SER 32 N -5.33 0.22 -0.57 0.57 3.41 -0.22 -0.33 113.62 111.36 2cv4 n SER 32 Ca 0.01 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 2cv4 n SER 32 Cb 0.25 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.63 2cv4 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cv4 n GLN 33 N -1.78 1.08 -1.24 4.33 6.02 -0.80 -4.96 117.38 120.04 2cv4 n GLN 33 Ca 0.00 -1.34 -0.08 0.00 -0.01 0.00 0.00 57.00 55.57 2cv4 n GLN 33 Cb 0.06 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 0.84 0.99 3.87 1.08 0.00 0.55 -5.00 105.19 107.51 2cv4 n GLY 34 Ca 0.08 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.69 3.39 0.62 1.61 1.02 -0.37 -4.81 119.74 118.50 2cv4 s LYS 35 Ca 0.00 -0.22 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 2cv4 s LYS 35 Cb 0.00 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2cv4 s LYS 35 CO 0.00 0.74 0.96 -1.58 -0.92 0.00 0.00 175.35 174.55 2cv4 s TRP 36 N -1.11 3.37 -0.01 3.18 0.52 -0.54 -4.13 118.94 120.22 2cv4 s TRP 36 Ca 0.19 0.88 -0.05 0.00 0.02 0.00 0.00 56.10 57.13 2cv4 s TRP 36 Cb -0.12 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 2cv4 s TRP 36 CO 0.08 -0.85 0.11 -0.59 0.02 0.00 0.00 176.95 175.73 2cv4 s PHE 37 N -3.10 0.01 -0.24 -1.98 -0.71 -0.70 -0.42 117.98 110.83 2cv4 s PHE 37 Ca 0.54 -0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 56.38 2cv4 s PHE 37 Cb -0.11 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.68 2cv4 s PHE 37 CO 0.48 -0.20 -0.02 0.08 -1.34 0.00 0.00 175.22 174.22 2cv4 s VAL 38 N -0.91 3.33 -0.21 -2.49 1.01 -0.33 -1.48 120.40 119.32 2cv4 s VAL 38 Ca -0.10 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2cv4 s VAL 38 Cb -0.06 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2cv4 s VAL 38 CO 0.01 0.28 0.05 -0.22 0.00 0.00 0.00 175.10 175.22 2cv4 s LEU 39 N 1.43 3.53 -0.05 3.92 0.20 -0.17 -1.67 118.68 125.86 2cv4 s LEU 39 Ca 0.03 -0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.79 2cv4 s LEU 39 Cb -0.16 -1.92 -0.00 0.00 -0.43 0.00 0.00 46.19 43.69 2cv4 s LEU 39 CO -0.03 0.06 -0.19 0.72 -0.29 0.00 0.00 176.35 176.62 2cv4 s PHE 40 N 1.05 1.93 0.12 5.38 -0.12 -0.42 -0.99 117.98 124.93 2cv4 s PHE 40 Ca 0.04 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.35 2cv4 s PHE 40 Cb -0.14 -1.29 -0.04 0.00 -0.63 0.00 0.00 43.02 40.92 2cv4 s PHE 40 CO 0.03 -0.21 0.18 -1.54 -0.05 0.00 0.00 175.22 173.63 2cv4 s SER 41 N 0.07 5.93 -0.00 1.98 1.04 -0.35 -0.36 113.70 122.02 2cv4 s SER 41 Ca -0.06 0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 2cv4 s SER 41 Cb -0.13 -1.69 -0.00 0.00 0.10 0.00 0.00 66.02 64.29 2cv4 s SER 41 CO 0.03 0.11 0.02 -1.38 0.98 0.00 0.00 173.24 173.00 2cv4 s HIS 42 N -1.62 0.05 0.43 5.02 -3.43 0.23 -3.81 115.29 112.16 2cv4 s HIS 42 Ca 0.32 -0.09 0.15 0.00 -0.80 0.00 0.00 55.06 54.65 2cv4 s HIS 42 Cb -0.11 -0.04 1.05 0.00 -1.43 0.00 0.00 32.58 32.04 2cv4 s HIS 42 CO 0.26 -0.08 1.94 -1.00 -2.00 0.00 0.00 174.74 173.85 2cv4 h PRO 43 N 5.61 0.40 -1.32 -0.38 0.13 -1.76 -3.37 132.00 131.31 2cv4 h PRO 43 Ca -0.27 -0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 2cv4 h PRO 43 Cb 1.21 -0.09 -0.24 0.00 0.13 0.00 0.00 31.00 32.01 2cv4 h PRO 43 CO 0.46 0.27 0.79 0.00 -0.23 0.00 0.00 178.00 179.29 2cv4 s ALA 44 N -5.40 -2.05 0.80 -0.56 0.00 -1.26 -4.20 121.76 109.09 2cv4 s ALA 44 Ca -0.08 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 2cv4 s ALA 44 Cb 0.21 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.45 2cv4 s ALA 44 CO 0.76 -0.34 1.11 -0.51 0.00 0.00 0.00 175.76 176.78 2cv4 s ASP 45 N -1.30 4.19 -1.41 0.00 1.01 -1.26 -3.81 116.67 114.07 2cv4 s ASP 45 Ca 0.05 1.93 -0.07 0.00 0.71 0.00 0.00 52.55 55.17 2cv4 s ASP 45 Cb -0.01 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.43 2cv4 s ASP 45 CO -0.04 -2.25 0.87 0.49 0.21 0.00 0.00 175.17 174.45 2cv4 n PHE 46 N -3.59 -2.17 -4.97 4.23 3.01 -1.26 -5.01 117.46 107.70 2cv4 n PHE 46 Ca 0.10 0.89 -0.27 0.00 1.01 0.00 0.00 57.45 59.17 2cv4 n PHE 46 Cb 0.53 -4.27 -0.15 0.00 -0.01 0.00 0.00 39.48 35.58 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 -3.47 1.69 0.00 4.37 -4.23 -1.25 -5.08 115.64 107.67 2cv4 s THR 47 Ca 0.35 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2cv4 s THR 47 Cb -0.17 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.25 2cv4 s THR 47 CO 0.81 0.42 0.67 -2.65 -0.54 0.00 0.00 174.62 173.34 2cv4 n PRO 48 N 2.40 0.00 0.00 3.99 -0.02 -1.26 -1.48 135.00 138.63 2cv4 n PRO 48 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2cv4 n PRO 48 Cb 0.53 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 2cv4 n PRO 48 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2cv4 n VAL 49 N -1.57 0.00 0.00 -1.45 0.31 -1.26 -1.77 118.33 112.59 2cv4 n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2cv4 n VAL 49 Cb 0.00 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.36 0.00 0.15 2.52 -1.04 -0.55 -1.41 114.28 114.32 2cv4 n THR 51 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2cv4 n THR 51 Cb 0.00 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.96 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 1.14 -0.15 12.58 1.35 -1.63 -1.47 112.91 124.74 2cv4 h THR 52 Ca 0.00 -0.63 -0.09 0.00 -0.55 0.00 0.00 66.41 65.14 2cv4 h THR 52 Cb 0.00 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2cv4 h THR 52 CO 0.00 0.20 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.88 2cv4 h GLU 53 N 0.16 0.45 -0.93 4.72 5.08 -1.51 -1.89 114.58 120.65 2cv4 h GLU 53 Ca 0.03 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2cv4 h GLU 53 Cb 0.30 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2cv4 h GLU 53 CO 0.02 0.87 0.60 0.74 -1.00 0.00 0.00 179.01 180.24 2cv4 h PHE 54 N 0.07 1.13 -0.56 4.33 -1.00 -1.75 0.22 116.94 119.39 2cv4 h PHE 54 Ca 0.01 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.71 2cv4 h PHE 54 Cb 0.84 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 2cv4 h PHE 54 CO 0.10 0.64 -0.08 0.28 -1.61 0.00 0.00 178.31 177.64 2cv4 h VAL 55 N 1.16 1.27 -0.59 -0.55 2.07 -1.24 -0.79 116.25 117.58 2cv4 h VAL 55 Ca 0.38 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2cv4 h VAL 55 Cb 0.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2cv4 h VAL 55 CO -0.13 0.44 0.20 -1.28 0.02 0.00 0.00 177.57 176.82 2cv4 h SER 56 N 0.92 0.85 -0.43 0.57 0.87 -0.70 -1.17 113.55 114.47 2cv4 h SER 56 Ca 0.15 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2cv4 h SER 56 Cb 0.64 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2cv4 h SER 56 CO 0.04 0.82 0.08 -0.26 -0.53 0.00 0.00 176.83 176.99 2cv4 h PHE 57 N 0.83 0.74 -0.44 2.24 0.04 -0.73 -2.86 116.94 116.76 2cv4 h PHE 57 Ca 0.19 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2cv4 h PHE 57 Cb 0.27 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2cv4 h PHE 57 CO 0.02 0.71 0.28 0.00 -0.60 0.00 0.00 178.31 178.71 2cv4 h ALA 58 N 0.95 0.56 0.00 2.45 0.00 -0.80 -1.05 119.26 121.37 2cv4 h ALA 58 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2cv4 h ALA 58 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2cv4 h ALA 58 CO 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.21 2cv4 h ARG 59 N 0.59 0.00 -0.67 0.00 3.08 -1.22 -1.67 114.38 114.49 2cv4 h ARG 59 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2cv4 h ARG 59 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2cv4 h ARG 59 CO -0.03 0.08 0.00 0.54 -1.07 0.00 0.00 179.97 179.49 2cv4 n ARG 60 N -3.74 2.87 -0.20 0.04 1.74 -0.57 -4.56 116.66 112.23 2cv4 n ARG 60 Ca -0.02 -2.62 0.05 0.00 -0.77 0.00 0.00 57.85 54.49 2cv4 n ARG 60 Cb 0.18 -1.57 0.32 0.00 -1.02 0.00 0.00 32.46 30.37 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 3.96 0.83 -0.53 -1.55 5.03 -0.24 -1.21 116.97 123.25 2cv4 h TYR 61 Ca 0.00 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 2cv4 h TYR 61 Cb 1.01 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2cv4 h TYR 61 CO 0.49 0.45 -0.09 0.93 -1.32 0.00 0.00 178.16 178.63 2cv4 h GLU 62 N 0.83 0.99 -0.85 1.82 4.39 -1.81 -0.99 114.58 118.96 2cv4 h GLU 62 Ca 0.31 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2cv4 h GLU 62 Cb 0.18 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2cv4 h GLU 62 CO -0.10 1.02 0.53 -0.44 -1.16 0.00 0.00 179.01 178.86 2cv4 h ASP 63 N 0.88 1.01 -0.07 1.42 3.32 -1.56 0.03 116.42 121.46 2cv4 h ASP 63 Ca 0.14 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2cv4 h ASP 63 Cb 0.63 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2cv4 h ASP 63 CO 0.04 0.77 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.95 2cv4 h PHE 64 N 1.17 0.26 -0.87 4.55 0.04 -1.23 -2.88 116.94 117.98 2cv4 h PHE 64 Ca 0.31 -0.09 0.12 0.00 2.80 0.00 0.00 57.97 61.11 2cv4 h PHE 64 Cb -0.07 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 37.94 2cv4 h PHE 64 CO 0.00 0.70 0.49 1.96 -0.60 0.00 0.00 178.31 180.87 2cv4 h GLN 65 N -0.26 0.74 -0.40 1.51 1.08 -0.99 0.13 115.11 116.91 2cv4 h GLN 65 Ca 0.01 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2cv4 h GLN 65 Cb 0.68 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2cv4 h GLN 65 CO 0.03 0.49 0.27 0.00 -0.95 0.00 0.00 178.83 178.66 2cv4 h ARG 66 N 0.76 0.35 -0.01 1.46 3.08 -0.87 0.31 114.38 119.46 2cv4 h ARG 66 Ca 0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2cv4 h ARG 66 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2cv4 h ARG 66 CO -0.30 0.23 -0.09 1.28 -1.07 0.00 0.00 179.97 180.02 2cv4 n LEU 67 N -4.48 0.95 -0.85 3.04 4.77 0.31 -4.92 117.00 115.82 2cv4 n LEU 67 Ca 0.04 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 2cv4 n LEU 67 Cb 0.20 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2cv4 n LEU 67 CO 0.35 0.17 -0.02 0.61 -1.33 0.00 0.00 177.39 177.16 2cv4 n GLY 68 N 1.22 0.31 3.21 -0.72 0.00 0.10 -4.90 105.19 104.40 2cv4 n GLY 68 Ca 0.17 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.56 2.70 0.55 1.61 1.01 -0.38 -1.46 120.40 121.87 2cv4 s VAL 69 Ca 0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2cv4 s VAL 69 Cb -0.02 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2cv4 s VAL 69 CO 0.07 0.43 0.83 -1.81 0.00 0.00 0.00 175.10 174.62 2cv4 s ASP 70 N 1.37 5.55 0.03 3.32 1.01 0.44 -3.69 116.67 124.70 2cv4 s ASP 70 Ca 0.04 0.47 0.08 0.00 0.71 0.00 0.00 52.55 53.86 2cv4 s ASP 70 Cb -0.14 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 2cv4 s ASP 70 CO -0.08 -1.01 -0.25 -0.76 0.21 0.00 0.00 175.17 173.28 2cv4 s LEU 71 N -4.85 2.13 -0.18 1.23 1.43 -1.26 -1.18 118.68 116.00 2cv4 s LEU 71 Ca 0.53 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2cv4 s LEU 71 Cb -0.10 -1.22 0.07 0.00 0.03 0.00 0.00 46.19 44.97 2cv4 s LEU 71 CO 0.42 0.25 0.40 -0.51 0.23 0.00 0.00 176.35 177.14 2cv4 s ILE 72 N -0.74 -0.28 0.69 -0.59 2.07 -0.67 -4.25 121.20 117.43 2cv4 s ILE 72 Ca 0.10 0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 59.43 2cv4 s ILE 72 Cb -0.10 -0.61 0.07 0.00 0.13 0.00 0.00 42.46 41.95 2cv4 s ILE 72 CO 0.01 0.06 0.98 -0.83 -1.91 0.00 0.00 174.94 173.25 2cv4 s GLY 73 N 1.91 1.72 -0.24 1.50 0.00 -0.71 -1.30 107.32 110.20 2cv4 s GLY 73 Ca -0.06 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 43.49 2cv4 s GLY 73 CO -0.12 -0.65 0.57 -2.27 0.00 0.00 0.00 173.10 170.63 2cv4 s LEU 74 N -5.18 -0.74 -0.01 0.66 0.20 0.52 -0.57 118.68 113.56 2cv4 s LEU 74 Ca 0.61 1.30 -0.10 0.00 0.69 0.00 0.00 54.13 56.62 2cv4 s LEU 74 Cb -0.10 1.95 0.01 0.00 -0.43 0.00 0.00 46.19 47.62 2cv4 s LEU 74 CO 0.44 -0.22 0.21 -0.55 -0.29 0.00 0.00 176.35 175.94 2cv4 s SER 75 N 2.02 -0.07 0.27 3.68 0.15 -1.10 0.77 113.70 119.41 2cv4 s SER 75 Ca -0.08 -0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.73 2cv4 s SER 75 Cb -0.09 0.26 1.02 0.00 -1.71 0.00 0.00 66.02 65.50 2cv4 s SER 75 CO -0.17 -0.39 1.65 0.52 1.20 0.00 0.00 173.24 176.06 2cv4 n VAL 76 N 1.44 0.97 -1.61 4.45 0.31 -1.26 -1.91 118.33 120.72 2cv4 n VAL 76 Ca -0.22 0.46 -0.29 0.00 -0.01 0.00 0.00 64.34 64.28 2cv4 n VAL 76 Cb 0.56 -1.42 0.11 0.00 -0.91 0.00 0.00 33.84 32.18 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 -4.07 3.98 0.80 4.52 1.01 -1.26 -2.44 116.67 119.21 2cv4 s ASP 77 Ca 0.01 1.03 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 2cv4 s ASP 77 Cb 0.08 -1.64 0.07 0.00 1.01 0.00 0.00 42.92 42.44 2cv4 s ASP 77 CO 0.29 -2.26 1.12 -0.94 0.21 0.00 0.00 175.17 173.59 2cv4 s SER 78 N -4.09 4.57 0.36 0.27 1.04 -1.26 -3.14 113.70 111.45 2cv4 s SER 78 Ca 0.63 1.06 0.09 0.00 0.48 0.00 0.00 55.95 58.21 2cv4 s SER 78 Cb -0.14 -1.73 0.70 0.00 0.10 0.00 0.00 66.02 64.95 2cv4 s SER 78 CO 0.53 -1.89 1.85 -0.37 0.98 0.00 0.00 173.24 174.34 2cv4 h VAL 79 N -1.04 1.22 -0.72 5.02 -1.51 -1.94 -1.71 116.25 115.57 2cv4 h VAL 79 Ca -0.47 -1.02 -0.02 0.00 -1.23 0.00 0.00 66.70 63.96 2cv4 h VAL 79 Cb 1.29 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 2cv4 h VAL 79 CO 0.63 0.31 0.39 -0.26 -1.23 0.00 0.00 177.57 177.40 2cv4 h PHE 80 N 0.19 1.00 -0.22 5.19 0.04 -1.99 0.14 116.94 121.29 2cv4 h PHE 80 Ca 0.03 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2cv4 h PHE 80 Cb 0.52 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2cv4 h PHE 80 CO 0.01 0.71 -0.07 0.77 -0.60 0.00 0.00 178.31 179.13 2cv4 h SER 81 N 1.00 0.44 -0.20 2.17 0.02 -1.84 -1.06 113.55 114.08 2cv4 h SER 81 Ca 0.25 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2cv4 h SER 81 Cb 0.05 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 2cv4 h SER 81 CO -0.04 0.72 -0.27 0.45 -1.14 0.00 0.00 176.83 176.55 2cv4 h HIS 82 N 0.16 -0.72 -0.01 3.45 3.86 -0.91 0.36 115.15 121.33 2cv4 h HIS 82 Ca 0.05 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2cv4 h HIS 82 Cb 0.54 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 2cv4 h HIS 82 CO 0.06 -0.34 0.01 0.82 0.86 0.00 0.00 177.93 179.33 2cv4 h ILE 83 N -0.30 1.05 -0.86 2.45 2.04 -0.55 -0.69 117.51 120.65 2cv4 h ILE 83 Ca 0.12 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2cv4 h ILE 83 Cb 0.49 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 2cv4 h ILE 83 CO -0.37 0.04 0.57 0.11 0.00 0.00 0.00 178.15 178.49 2cv4 h LYS 84 N -0.05 1.04 -0.22 2.37 1.79 -0.89 -0.20 116.57 120.42 2cv4 h LYS 84 Ca 0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2cv4 h LYS 84 Cb 0.06 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 2cv4 h LYS 84 CO -0.00 0.69 0.11 2.35 -1.08 0.00 0.00 179.45 181.52 2cv4 h TRP 85 N 1.07 0.31 -0.65 -1.35 7.01 0.09 -0.53 115.95 121.90 2cv4 h TRP 85 Ca 0.34 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 2cv4 h TRP 85 Cb 0.03 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 2cv4 h TRP 85 CO -0.00 0.29 0.28 0.87 -2.79 0.00 0.00 178.44 177.09 2cv4 h LYS 86 N 0.24 0.93 -0.53 2.65 1.57 -0.76 -1.39 116.57 119.28 2cv4 h LYS 86 Ca 0.08 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2cv4 h LYS 86 Cb 0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2cv4 h LYS 86 CO -0.01 0.75 0.09 1.49 -0.57 0.00 0.00 179.45 181.20 2cv4 h GLU 87 N 0.92 0.84 -0.45 3.15 4.81 -0.45 -1.82 114.58 121.59 2cv4 h GLU 87 Ca 0.22 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2cv4 h GLU 87 Cb 0.15 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2cv4 h GLU 87 CO -0.02 0.78 -0.01 2.35 -0.73 0.00 0.00 179.01 181.38 2cv4 h TRP 88 N 0.80 0.87 -0.70 0.92 7.01 -0.37 -1.54 115.95 122.95 2cv4 h TRP 88 Ca 0.17 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2cv4 h TRP 88 Cb 0.35 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 2cv4 h TRP 88 CO 0.02 0.85 0.30 0.82 -2.79 0.00 0.00 178.44 177.63 2cv4 h ILE 89 N 0.64 1.23 -0.14 2.65 2.04 -0.86 0.17 117.51 123.24 2cv4 h ILE 89 Ca 0.13 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 2cv4 h ILE 89 Cb 0.51 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2cv4 h ILE 89 CO 0.02 0.29 -0.29 -0.08 0.00 0.00 0.00 178.15 178.10 2cv4 h GLU 90 N 1.00 0.45 -0.43 2.37 4.81 -1.18 -0.84 114.58 120.76 2cv4 h GLU 90 Ca 0.24 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 2cv4 h GLU 90 Cb 0.16 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2cv4 h GLU 90 CO -0.02 0.89 -0.32 -0.09 -0.73 0.00 0.00 179.01 178.74 2cv4 h ARG 91 N 0.05 0.97 0.00 1.92 2.43 -0.99 -0.40 114.38 118.36 2cv4 h ARG 91 Ca 0.00 -0.47 -0.15 0.00 -0.81 0.00 0.00 59.98 58.55 2cv4 h ARG 91 Cb 0.88 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2cv4 h ARG 91 CO 0.06 1.14 -1.72 0.72 -1.51 0.00 0.00 179.97 178.66 2cv4 n HIS 92 N -4.08 0.54 0.23 2.20 8.25 0.58 -4.35 115.22 118.59 2cv4 n HIS 92 Ca -0.01 0.18 0.05 0.00 -0.26 0.00 0.00 57.72 57.67 2cv4 n HIS 92 Cb 0.51 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.64 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 -2.69 0.00 -1.50 1.59 5.41 -0.34 -5.00 119.36 116.83 2cv4 n ILE 93 Ca -0.12 -0.25 -0.06 0.00 1.00 0.00 0.00 62.75 63.32 2cv4 n ILE 93 Cb 0.82 0.65 -0.02 0.00 -0.71 0.00 0.00 39.64 40.38 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 1.57 0.57 2.97 7.39 0.00 -0.16 -4.99 105.19 112.53 2cv4 n GLY 94 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.23 0.95 -0.15 1.61 0.11 -1.23 -4.99 120.40 114.48 2cv4 s VAL 95 Ca 0.00 -0.35 -0.21 0.00 -2.93 0.00 0.00 61.98 58.49 2cv4 s VAL 95 Cb 0.00 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2cv4 s VAL 95 CO 0.00 0.32 0.63 -0.60 -3.33 0.00 0.00 175.10 172.12 2cv4 s ARG 96 N 0.93 4.30 -0.41 1.54 3.52 -1.26 -3.18 118.95 124.39 2cv4 s ARG 96 Ca -0.10 0.67 -0.28 0.00 -0.13 0.00 0.00 55.73 55.89 2cv4 s ARG 96 Cb -0.15 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2cv4 s ARG 96 CO 0.01 -0.09 1.05 0.42 -0.81 0.00 0.00 175.30 175.87 2cv4 s ILE 97 N 1.39 4.40 -0.04 4.11 1.09 -1.26 -4.92 121.20 125.97 2cv4 s ILE 97 Ca 0.31 1.29 0.16 0.00 -1.10 0.00 0.00 60.65 61.30 2cv4 s ILE 97 Cb -0.16 -4.48 0.07 0.00 -1.06 0.00 0.00 42.46 36.83 2cv4 s ILE 97 CO 0.12 -0.75 1.53 1.55 -0.10 0.00 0.00 174.94 177.29 2cv4 h PRO 98 N 8.75 0.00 -6.61 2.79 0.13 -1.96 -3.47 132.00 131.64 2cv4 h PRO 98 Ca -0.23 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 2cv4 h PRO 98 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.20 2cv4 h PRO 98 CO 1.06 0.49 -0.09 -0.59 -0.23 0.00 0.00 178.00 178.64 2cv4 s PHE 99 N -3.14 3.50 0.85 1.56 -0.71 -1.26 -5.09 117.98 113.69 2cv4 s PHE 99 Ca 0.03 0.62 -0.12 0.00 -1.04 0.00 0.00 56.93 56.42 2cv4 s PHE 99 Cb 0.09 -2.11 0.10 0.00 -1.21 0.00 0.00 43.02 39.89 2cv4 s PHE 99 CO 0.73 0.05 1.13 -1.25 -1.34 0.00 0.00 175.22 174.54 2cv4 s PRO 100 N -4.01 1.63 -0.05 1.99 0.04 -1.26 -4.89 135.00 128.44 2cv4 s PRO 100 Ca 0.44 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.85 2cv4 s PRO 100 Cb -0.10 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2cv4 s PRO 100 CO 0.35 -1.87 -0.02 0.42 0.04 0.00 0.00 177.00 175.91 2cv4 s ILE 101 N -3.30 0.41 0.21 0.56 1.01 -1.26 -1.73 121.20 117.10 2cv4 s ILE 101 Ca 0.62 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 2cv4 s ILE 101 Cb -0.14 -0.50 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 2cv4 s ILE 101 CO 0.53 0.22 1.23 -0.63 0.00 0.00 0.00 174.94 176.29 2cv4 s ILE 102 N 1.35 3.39 -0.31 2.92 1.01 0.26 -1.89 121.20 127.94 2cv4 s ILE 102 Ca -0.04 1.19 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 2cv4 s ILE 102 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2cv4 s ILE 102 CO -0.02 0.20 0.15 0.00 0.00 0.00 0.00 174.94 175.27 2cv4 s ALA 103 N -0.16 3.27 -0.56 9.38 0.00 0.85 -2.71 121.76 131.83 2cv4 s ALA 103 Ca 0.53 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 51.15 2cv4 s ALA 103 Cb -0.34 -2.38 0.32 0.00 0.00 0.00 0.00 23.12 20.72 2cv4 s ALA 103 CO 0.39 -0.92 0.88 -3.47 0.00 0.00 0.00 175.76 172.64 2cv4 n ASP 104 N 4.98 3.88 0.19 0.00 2.03 -0.80 -4.53 116.55 122.30 2cv4 n ASP 104 Ca -0.14 -3.55 0.15 0.00 0.52 0.00 0.00 54.79 51.77 2cv4 n ASP 104 Cb 0.49 -0.59 0.54 0.00 -0.72 0.00 0.00 41.12 40.85 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 3.20 0.00 -4.09 -0.67 0.11 -1.64 -3.21 132.00 125.69 2cv4 h PRO 105 Ca 0.14 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.71 2cv4 h PRO 105 Cb 0.59 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.32 2cv4 h PRO 105 CO 0.78 0.00 -0.79 -0.65 -0.21 0.00 0.00 178.00 177.13 2cv4 s GLN 106 N -4.24 1.33 0.00 1.05 -1.52 -1.26 -4.97 119.66 110.05 2cv4 s GLN 106 Ca -0.03 -0.42 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 2cv4 s GLN 106 Cb 0.09 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 2cv4 s GLN 106 CO 0.30 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.34 2cv4 n GLY 107 N 4.92 0.03 0.36 3.09 0.00 -1.21 -3.96 105.19 108.42 2cv4 n GLY 107 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.52 0.26 -0.26 2.61 2.02 -1.93 2.95 112.91 119.08 2cv4 h THR 108 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2cv4 h THR 108 Cb 0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2cv4 h THR 108 CO 0.00 0.00 -0.09 0.58 0.37 0.00 0.00 175.52 176.38 2cv4 h VAL 109 N -0.51 1.29 -0.79 3.16 2.07 -1.91 0.22 116.25 119.78 2cv4 h VAL 109 Ca 0.06 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.48 2cv4 h VAL 109 Cb 0.59 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2cv4 h VAL 109 CO -0.27 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.16 2cv4 h ALA 110 N 0.75 1.05 -0.32 1.67 0.00 -1.67 -0.05 119.26 120.70 2cv4 h ALA 110 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2cv4 h ALA 110 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2cv4 h ALA 110 CO 0.03 0.24 -0.23 0.00 0.00 0.00 0.00 179.25 179.30 2cv4 h ARG 111 N 0.91 0.72 -0.37 0.00 3.08 0.55 0.46 114.38 119.75 2cv4 h ARG 111 Ca 0.33 -0.35 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2cv4 h ARG 111 Cb 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2cv4 h ARG 111 CO -0.15 0.96 0.25 -0.09 -1.07 0.00 0.00 179.97 179.88 2cv4 h ARG 112 N 0.49 0.18 -0.59 0.04 9.65 0.22 0.32 114.38 124.68 2cv4 h ARG 112 Ca 0.06 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2cv4 h ARG 112 Cb 0.78 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2cv4 h ARG 112 CO 0.06 0.12 0.00 1.28 2.80 0.00 0.00 179.97 184.23 2cv4 n LEU 113 N -4.47 3.17 -1.75 3.80 4.77 -0.10 -4.78 117.00 117.63 2cv4 n LEU 113 Ca 0.05 -1.59 -0.20 0.00 -0.03 0.00 0.00 56.01 54.24 2cv4 n LEU 113 Cb 0.31 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2cv4 n LEU 113 CO 0.35 0.78 -0.21 0.61 -1.33 0.00 0.00 177.39 177.59 2cv4 n GLY 114 N 1.42 1.32 0.20 -0.72 0.00 0.11 -4.44 105.19 103.09 2cv4 n GLY 114 Ca 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.47 0.56 -4.29 0.99 4.77 0.16 -4.52 117.00 112.20 2cv4 n LEU 115 Ca -0.21 -0.28 -0.45 0.00 -0.03 0.00 0.00 56.01 55.03 2cv4 n LEU 115 Cb 0.67 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2cv4 n LEU 115 CO 0.30 0.13 0.39 -0.22 -1.33 0.00 0.00 177.39 176.66 2cv4 s LEU 116 N -0.95 6.49 0.00 2.23 2.96 -1.25 -0.40 118.68 127.77 2cv4 s LEU 116 Ca 0.06 -2.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.17 2cv4 s LEU 116 Cb 0.03 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2cv4 s LEU 116 CO 0.04 -0.51 0.00 1.41 -1.32 0.00 0.00 176.35 175.96 2cv4 n HIS 117 N 3.78 -3.51 -1.06 5.38 8.25 -1.26 -5.01 115.22 121.78 2cv4 n HIS 117 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.63 2cv4 n HIS 117 Cb 0.45 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.84 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 -3.00 3.69 0.71 -1.41 0.00 -1.26 -4.16 120.51 115.08 2cv4 n ALA 118 Ca 0.00 -2.40 0.12 0.00 0.00 0.00 0.00 53.44 51.17 2cv4 n ALA 118 Cb 0.00 -0.90 0.23 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.37 0.20 0.00 0.00 2.13 -1.26 -4.85 120.64 116.49 2cv4 n GLU 119 Ca 0.29 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2cv4 n GLU 119 Cb 1.08 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 31.15 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 -1.93 0.00 -4.73 4.31 7.64 -1.26 -5.14 113.62 112.51 2cv4 n SER 120 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 2cv4 n SER 120 Cb 0.41 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.12 0.47 -0.43 0.00 -1.26 -4.60 121.76 118.05 2cv4 s ALA 121 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2cv4 s ALA 121 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2cv4 s ALA 121 CO 0.00 -1.86 0.00 0.25 0.00 0.00 0.00 175.76 174.15 2cv4 n THR 122 N -2.98 -1.11 -2.23 0.00 -2.24 -1.26 -4.97 114.28 99.49 2cv4 n THR 122 Ca 0.12 0.83 -0.03 0.00 -2.27 0.00 0.00 64.05 62.70 2cv4 n THR 122 Cb 0.51 -1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 67.43 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 -3.63 -3.56 -1.23 4.78 -0.00 -1.26 -4.95 115.22 105.37 2cv4 n HIS 123 Ca -0.05 2.09 -0.36 0.00 -0.00 0.00 0.00 57.72 59.40 2cv4 n HIS 123 Cb 0.48 -3.39 0.07 0.00 -0.00 0.00 0.00 29.99 27.15 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 1.34 1.73 -0.84 1.59 -1.04 -1.26 -4.81 114.28 111.00 2cv4 n THR 124 Ca -0.22 -0.38 -0.29 0.00 -2.04 0.00 0.00 64.05 61.13 2cv4 n THR 124 Cb 0.33 -0.76 0.21 0.00 -1.82 0.00 0.00 70.33 68.29 2cv4 n THR 124 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2cv4 s VAL 125 N -1.94 2.12 -1.06 12.58 0.11 0.47 -3.47 120.40 129.20 2cv4 s VAL 125 Ca 0.66 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.72 2cv4 s VAL 125 Cb -0.34 -2.29 0.31 0.00 -1.53 0.00 0.00 36.38 32.54 2cv4 s VAL 125 CO 0.58 -0.05 1.67 -1.14 -3.33 0.00 0.00 175.10 172.83 2cv4 n ARG 126 N -4.52 4.95 -3.88 1.54 3.00 -1.25 -4.14 116.66 112.36 2cv4 n ARG 126 Ca 0.05 -4.59 -0.31 0.00 -0.00 0.00 0.00 57.85 53.00 2cv4 n ARG 126 Cb 0.55 -2.50 -0.04 0.00 0.00 0.00 0.00 32.46 30.47 2cv4 n ARG 126 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2cv4 s GLY 127 N -1.54 2.20 -0.07 5.14 0.00 -1.25 -2.09 107.32 109.72 2cv4 s GLY 127 Ca 0.35 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.31 2cv4 s GLY 127 CO -0.01 -0.75 -0.13 0.14 0.00 0.00 0.00 173.10 172.35 2cv4 s VAL 128 N -1.52 1.21 -0.13 1.40 1.01 0.86 -1.21 120.40 122.03 2cv4 s VAL 128 Ca 0.35 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2cv4 s VAL 128 Cb -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2cv4 s VAL 128 CO 0.27 0.37 -0.20 -0.36 0.00 0.00 0.00 175.10 175.17 2cv4 s PHE 129 N 0.62 2.67 -0.35 5.22 0.40 -0.16 -1.24 117.98 125.14 2cv4 s PHE 129 Ca -0.15 -1.13 -0.09 0.00 -0.60 0.00 0.00 56.93 54.96 2cv4 s PHE 129 Cb -0.16 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.59 2cv4 s PHE 129 CO 0.04 -0.49 0.17 0.42 0.70 0.00 0.00 175.22 176.06 2cv4 s ILE 130 N 0.63 4.36 -0.11 0.64 1.01 -0.65 -1.00 121.20 126.09 2cv4 s ILE 130 Ca -0.11 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 2cv4 s ILE 130 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2cv4 s ILE 130 CO 0.02 -0.15 -0.08 -0.69 0.00 0.00 0.00 174.94 174.04 2cv4 s VAL 131 N 1.53 3.53 0.85 2.92 1.01 -0.55 -0.37 120.40 129.32 2cv4 s VAL 131 Ca 0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2cv4 s VAL 131 Cb -0.19 -2.48 0.19 0.00 0.00 0.00 0.00 36.38 33.90 2cv4 s VAL 131 CO 0.05 0.55 1.16 -0.90 0.00 0.00 0.00 175.10 175.96 2cv4 n ASP 132 N 2.91 0.44 0.00 3.32 5.68 0.70 -1.72 116.55 127.88 2cv4 n ASP 132 Ca -0.18 -1.63 0.07 0.00 -0.50 0.00 0.00 54.79 52.55 2cv4 n ASP 132 Cb 0.53 -0.85 0.40 0.00 -1.14 0.00 0.00 41.12 40.06 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 -3.54 1.97 -0.50 2.12 0.00 -1.26 -0.47 120.51 118.82 2cv4 n ALA 133 Ca -0.19 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.24 2cv4 n ALA 133 Cb 0.55 -1.23 0.21 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.08 2.98 -1.02 0.00 1.85 -1.26 -4.62 116.66 113.51 2cv4 n ARG 134 Ca 0.10 -2.41 -0.01 0.00 -1.00 0.00 0.00 57.85 54.53 2cv4 n ARG 134 Cb 0.07 -1.53 -0.00 0.00 -1.05 0.00 0.00 32.46 29.94 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 0.24 0.47 3.83 2.89 0.00 0.38 -4.97 105.19 108.02 2cv4 n GLY 135 Ca 0.16 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.01 5.45 -0.12 1.61 1.01 -1.25 -0.42 120.40 124.68 2cv4 s VAL 136 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2cv4 s VAL 136 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2cv4 s VAL 136 CO 0.00 0.57 1.31 -0.63 0.00 0.00 0.00 175.10 176.34 2cv4 s ILE 137 N -0.60 4.15 -0.08 2.22 1.01 -0.47 -0.22 121.20 127.20 2cv4 s ILE 137 Ca 0.13 1.42 0.11 0.00 0.00 0.00 0.00 60.65 62.31 2cv4 s ILE 137 Cb -0.12 -3.91 -0.17 0.00 0.01 0.00 0.00 42.46 38.27 2cv4 s ILE 137 CO 0.02 -0.09 0.27 0.54 0.00 0.00 0.00 174.94 175.69 2cv4 n ARG 138 N 6.29 0.77 -1.66 2.79 5.12 0.51 -0.63 116.66 129.85 2cv4 n ARG 138 Ca 0.14 -0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 55.95 2cv4 n ARG 138 Cb 0.45 -1.23 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 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 -1.80 0.00 -3.65 0.55 -1.04 -1.15 -4.92 114.28 102.28 2cv4 n THR 139 Ca -0.01 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2cv4 n THR 139 Cb 0.27 0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.22 -0.33 -4.42 1.43 -0.38 -1.63 118.68 113.13 2cv4 s LEU 141 Ca 0.04 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2cv4 s LEU 141 Cb -0.01 1.37 0.10 0.00 0.03 0.00 0.00 46.19 47.68 2cv4 s LEU 141 CO 0.02 -0.06 0.05 -0.31 0.23 0.00 0.00 176.35 176.28 2cv4 s TYR 142 N 0.66 3.41 0.12 0.29 2.02 -1.26 -0.09 117.35 122.49 2cv4 s TYR 142 Ca -0.02 -2.78 -0.02 0.00 -0.37 0.00 0.00 57.07 53.88 2cv4 s TYR 142 Cb -0.04 -2.70 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2cv4 s TYR 142 CO -0.12 -0.94 0.31 0.71 -1.57 0.00 0.00 175.55 173.94 2cv4 s TYR 143 N 1.03 3.49 0.00 2.71 4.12 -0.89 -5.02 117.35 122.80 2cv4 s TYR 143 Ca 0.10 0.40 0.00 0.00 0.02 0.00 0.00 57.07 57.60 2cv4 s TYR 143 Cb -0.19 -1.89 0.00 0.00 -1.52 0.00 0.00 41.96 38.37 2cv4 s TYR 143 CO -0.11 0.49 0.00 -0.35 0.02 0.00 0.00 175.55 175.60 2cv4 n PRO 144 N 0.07 0.00 0.00 -1.71 -0.04 -1.26 -3.88 135.00 128.19 2cv4 n PRO 144 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2cv4 n PRO 144 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.73 0.54 0.00 -1.26 -4.66 120.64 111.53 2cv4 n GLU 146 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2cv4 n GLU 146 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 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 1.33 0.54 -1.84 1.98 -1.26 -5.10 118.68 114.34 2cv4 s LEU 147 Ca 0.00 -0.99 -0.22 0.00 -2.89 0.00 0.00 54.13 50.03 2cv4 s LEU 147 Cb 0.00 -0.63 -0.05 0.00 0.66 0.00 0.00 46.19 46.17 2cv4 s LEU 147 CO 0.00 -0.33 1.36 0.61 -1.89 0.00 0.00 176.35 176.10 2cv4 n GLY 148 N 5.02 0.78 3.71 7.98 0.00 -1.26 -4.90 105.19 116.52 2cv4 n GLY 148 Ca -0.08 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2cv4 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cv4 s ARG 149 N -2.87 0.18 -0.47 1.61 0.52 -1.26 -5.01 118.95 111.65 2cv4 s ARG 149 Ca 0.71 0.17 -0.04 0.00 -0.52 0.00 0.00 55.73 56.05 2cv4 s ARG 149 Cb -0.42 -1.74 0.13 0.00 0.52 0.00 0.00 34.95 33.44 2cv4 s ARG 149 CO 0.49 -2.82 0.29 -1.17 0.02 0.00 0.00 175.30 172.11 2cv4 s LEU 150 N -6.40 5.33 0.50 2.53 0.20 -1.26 -4.98 118.68 114.60 2cv4 s LEU 150 Ca 0.67 -2.22 0.20 0.00 0.69 0.00 0.00 54.13 53.47 2cv4 s LEU 150 Cb -0.13 -1.86 1.28 0.00 -0.43 0.00 0.00 46.19 45.05 2cv4 s LEU 150 CO 0.55 -0.52 2.09 0.58 -0.29 0.00 0.00 176.35 178.76 2cv4 h VAL 151 N 6.05 0.90 0.00 1.68 2.07 -1.95 -1.79 116.25 123.21 2cv4 h VAL 151 Ca -0.11 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2cv4 h VAL 151 Cb 1.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2cv4 h VAL 151 CO 0.73 0.10 -0.25 0.44 0.02 0.00 0.00 177.57 178.60 2cv4 h ASP 152 N 0.00 0.00 -0.35 0.57 3.32 -1.93 -1.74 116.42 116.29 2cv4 h ASP 152 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2cv4 h ASP 152 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2cv4 h ASP 152 CO 0.01 0.25 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.49 2cv4 h GLU 153 N 0.00 0.84 -0.67 3.56 4.57 -1.67 -1.22 114.58 119.98 2cv4 h GLU 153 Ca -0.00 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 57.79 2cv4 h GLU 153 Cb 0.51 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2cv4 h GLU 153 CO 0.03 0.98 0.23 0.82 -1.18 0.00 0.00 179.01 179.89 2cv4 h ILE 154 N 0.73 1.24 -0.43 2.32 2.04 -1.34 -1.06 117.51 121.02 2cv4 h ILE 154 Ca 0.10 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 2cv4 h ILE 154 Cb 0.75 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2cv4 h ILE 154 CO 0.06 0.32 0.13 -0.07 0.00 0.00 0.00 178.15 178.59 2cv4 h LEU 155 N 0.99 0.63 -0.84 1.44 3.38 -1.11 -2.43 115.31 117.37 2cv4 h LEU 155 Ca 0.22 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2cv4 h LEU 155 Cb 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2cv4 h LEU 155 CO -0.01 0.68 0.51 -0.09 0.09 0.00 0.00 178.44 179.61 2cv4 h ARG 156 N 0.56 0.89 0.49 1.13 2.43 -0.75 -1.24 114.38 117.89 2cv4 h ARG 156 Ca 0.14 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2cv4 h ARG 156 Cb 0.27 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2cv4 h ARG 156 CO -0.00 0.59 -0.24 0.82 -1.51 0.00 0.00 179.97 179.63 2cv4 h ILE 157 N 0.91 0.51 -0.90 1.20 2.04 -0.88 -0.22 117.51 120.16 2cv4 h ILE 157 Ca 0.38 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2cv4 h ILE 157 Cb 0.22 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2cv4 h ILE 157 CO -0.19 0.02 0.57 0.58 0.00 0.00 0.00 178.15 179.13 2cv4 h VAL 158 N -0.73 1.24 0.63 1.67 2.07 -1.30 0.13 116.25 119.96 2cv4 h VAL 158 Ca -0.07 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2cv4 h VAL 158 Cb 0.54 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2cv4 h VAL 158 CO 0.11 0.24 -0.30 0.50 0.02 0.00 0.00 177.57 178.14 2cv4 h LYS 159 N 1.23 -0.81 -0.99 1.57 1.63 -1.11 -0.60 116.57 117.48 2cv4 h LYS 159 Ca 0.33 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.21 2cv4 h LYS 159 Cb -0.11 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 2cv4 h LYS 159 CO -0.07 -0.52 0.65 0.00 -3.45 0.00 0.00 179.45 176.07 2cv4 h ALA 160 N -0.56 1.29 -0.21 5.00 0.00 -0.89 -0.37 119.26 123.52 2cv4 h ALA 160 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2cv4 h ALA 160 Cb 0.67 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2cv4 h ALA 160 CO 0.14 0.58 0.06 1.25 0.00 0.00 0.00 179.25 181.28 2cv4 h LEU 161 N 1.29 0.32 -1.26 0.00 5.85 -0.63 0.21 115.31 121.08 2cv4 h LEU 161 Ca 0.38 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2cv4 h LEU 161 Cb -0.06 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2cv4 h LEU 161 CO -0.11 0.45 0.23 0.11 -0.34 0.00 0.00 178.44 178.78 2cv4 h LYS 162 N 0.17 0.74 -0.11 1.25 1.57 -0.77 0.12 116.57 119.54 2cv4 h LYS 162 Ca 0.07 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2cv4 h LYS 162 Cb 0.25 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2cv4 h LYS 162 CO -0.00 0.59 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.40 2cv4 h LEU 163 N 0.74 0.19 -1.23 2.94 3.38 -0.76 -1.70 115.31 118.87 2cv4 h LEU 163 Ca 0.18 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2cv4 h LEU 163 Cb 0.12 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2cv4 h LEU 163 CO -0.02 0.47 0.54 1.23 0.09 0.00 0.00 178.44 180.75 2cv4 h GLY 164 N -0.09 1.15 0.84 0.83 0.00 0.19 -1.08 103.07 104.90 2cv4 h GLY 164 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2cv4 h GLY 164 CO 0.01 0.34 -0.20 -0.55 0.00 0.00 0.00 176.54 176.14 2cv4 h ASP 165 N 1.00 -0.48 0.86 0.19 5.19 -0.68 0.20 116.42 122.70 2cv4 h ASP 165 Ca 0.32 -0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.57 2cv4 h ASP 165 Cb 0.04 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2cv4 h ASP 165 CO -0.09 -0.22 -0.43 0.77 -3.12 0.00 0.00 179.24 176.15 2cv4 h SER 166 N -0.74 0.00 -0.02 6.45 4.64 -1.14 -3.15 113.55 119.59 2cv4 h SER 166 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2cv4 h SER 166 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2cv4 h SER 166 CO 0.10 0.43 -0.13 0.18 -0.87 0.00 0.00 176.83 176.54 2cv4 n LEU 167 N -3.55 2.60 -3.52 5.97 4.77 -0.43 -4.99 117.00 117.86 2cv4 n LEU 167 Ca -0.00 -0.89 -0.25 0.00 -0.03 0.00 0.00 56.01 54.84 2cv4 n LEU 167 Cb 0.55 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.69 2cv4 n LEU 167 CO 0.38 0.44 -0.03 0.29 -1.33 0.00 0.00 177.39 177.14 2cv4 n LYS 168 N 0.86 -1.59 -4.15 3.23 5.02 -0.11 -5.02 118.16 116.41 2cv4 n LYS 168 Ca 0.13 0.62 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 2cv4 n LYS 168 Cb 0.54 -4.76 -0.10 0.00 -0.02 0.00 0.00 35.03 30.70 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 -5.37 0.90 0.10 1.97 1.81 -0.21 -4.62 118.95 113.52 2cv4 s ARG 169 Ca 0.47 -1.42 0.03 0.00 -1.72 0.00 0.00 55.73 53.10 2cv4 s ARG 169 Cb -0.13 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 2cv4 s ARG 169 CO 0.82 -0.22 0.09 0.00 -0.68 0.00 0.00 175.30 175.31 2cv4 s ALA 170 N -3.99 3.57 -0.24 2.13 0.00 0.13 -4.46 121.76 118.90 2cv4 s ALA 170 Ca 0.22 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 2cv4 s ALA 170 Cb 0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2cv4 s ALA 170 CO 0.00 0.70 0.19 0.08 0.00 0.00 0.00 175.76 176.73 2cv4 s VAL 171 N -1.47 5.34 0.76 0.00 1.01 -1.26 -0.31 120.40 124.47 2cv4 s VAL 171 Ca 0.30 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2cv4 s VAL 171 Cb -0.12 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.78 2cv4 s VAL 171 CO 0.22 0.33 1.08 -2.16 0.00 0.00 0.00 175.10 174.57 2cv4 s PRO 172 N 1.12 2.41 0.26 2.72 0.04 -1.26 -4.94 135.00 135.35 2cv4 s PRO 172 Ca 0.09 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 2cv4 s PRO 172 Cb -0.14 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2cv4 s PRO 172 CO 0.05 -1.50 1.24 0.00 0.04 0.00 0.00 177.00 176.84 2cv4 n ALA 173 N -3.41 0.49 -1.42 8.56 0.00 -1.26 -1.81 120.51 121.66 2cv4 n ALA 173 Ca 0.08 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.78 2cv4 n ALA 173 Cb 0.53 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 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 1.61 -5.11 -4.73 0.00 8.00 -1.26 -4.03 116.55 111.03 2cv4 n ASP 174 Ca 0.10 0.36 -0.40 0.00 0.71 0.00 0.00 54.79 55.56 2cv4 n ASP 174 Cb 0.31 -3.89 0.03 0.00 -0.02 0.00 0.00 41.12 37.55 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 -2.46 2.31 -0.01 1.24 -0.00 -0.75 0.13 117.44 117.90 2cv4 n TRP 175 Ca -0.14 0.46 -0.01 0.00 -0.00 0.00 0.00 57.50 57.80 2cv4 n TRP 175 Cb 0.54 -2.39 0.17 0.00 -0.00 0.00 0.00 31.31 29.63 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 -0.40 2.60 -2.14 5.87 -0.04 -1.26 -4.90 135.00 134.73 2cv4 n PRO 176 Ca 0.08 -1.58 -0.25 0.00 -0.04 0.00 0.00 63.50 61.71 2cv4 n PRO 176 Cb 0.42 -1.81 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.13 4.88 -4.75 3.54 3.02 0.12 -2.98 115.26 119.22 2cv4 n ASN 177 Ca 0.19 -3.74 -0.41 0.00 -0.03 0.00 0.00 54.58 50.58 2cv4 n ASN 177 Cb 0.84 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 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 -3.58 6.54 0.49 6.41 2.47 -0.42 -4.83 114.94 122.02 2cv4 s ASN 178 Ca 0.50 2.80 0.23 0.00 0.42 0.00 0.00 52.86 56.82 2cv4 s ASN 178 Cb 0.41 -2.63 1.28 0.00 -1.45 0.00 0.00 41.25 38.85 2cv4 s ASN 178 CO -0.02 -0.78 2.03 -0.33 -3.72 0.00 0.00 177.10 174.27 2cv4 h GLU 179 N 4.69 0.00 0.00 0.43 5.08 -1.89 0.30 114.58 123.20 2cv4 h GLU 179 Ca -0.47 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 2cv4 h GLU 179 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2cv4 h GLU 179 CO 0.76 0.16 -0.99 0.82 -1.00 0.00 0.00 179.01 178.76 2cv4 h ILE 180 N 0.00 0.89 0.00 3.13 2.04 -1.94 -3.42 117.51 118.21 2cv4 h ILE 180 Ca -0.00 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2cv4 h ILE 180 Cb 0.38 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2cv4 h ILE 180 CO 0.02 0.30 -0.00 2.30 0.00 0.00 0.00 178.15 180.77 2cv4 n ILE 181 N -4.48 1.12 0.00 -0.67 -5.35 -1.23 -5.09 119.36 103.66 2cv4 n ILE 181 Ca -0.26 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 2cv4 n ILE 181 Cb 0.59 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 -0.65 1.34 0.95 3.28 0.00 0.11 -0.87 105.19 109.35 2cv4 n GLY 182 Ca 0.03 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 2.24 -1.78 1.61 0.28 -1.16 -1.31 120.64 120.52 2cv4 n GLU 183 Ca 0.00 -1.87 -0.38 0.00 -0.16 0.00 0.00 57.16 54.75 2cv4 n GLU 183 Cb 0.00 -1.47 0.04 0.00 1.43 0.00 0.00 31.44 31.44 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 -1.50 2.89 0.01 -1.84 0.00 -0.05 -4.81 107.32 102.03 2cv4 s GLY 184 Ca 0.36 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.45 2cv4 s GLY 184 CO 0.29 1.86 -0.07 1.08 0.00 0.00 0.00 173.10 176.26 2cv4 s LEU 185 N -3.53 3.18 0.02 0.66 1.43 -0.42 -4.50 118.68 115.52 2cv4 s LEU 185 Ca 0.72 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 2cv4 s LEU 185 Cb -0.40 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 2cv4 s LEU 185 CO 0.48 0.27 0.57 -0.63 0.23 0.00 0.00 176.35 177.27 2cv4 s ILE 186 N -1.03 4.87 -0.07 -0.59 1.01 0.58 -2.02 121.20 123.95 2cv4 s ILE 186 Ca 0.18 1.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.75 2cv4 s ILE 186 Cb -0.11 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2cv4 s ILE 186 CO 0.08 0.47 0.89 -0.69 0.00 0.00 0.00 174.94 175.70 2cv4 s VAL 187 N -0.54 4.90 -0.03 2.92 1.01 0.49 0.18 120.40 129.32 2cv4 s VAL 187 Ca 0.30 1.83 -0.37 0.00 0.00 0.00 0.00 61.98 63.74 2cv4 s VAL 187 Cb -0.18 -4.22 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 2cv4 s VAL 187 CO 0.17 0.13 1.54 -2.65 0.00 0.00 0.00 175.10 174.30 2cv4 n PRO 188 N 4.32 1.36 -1.59 2.72 -0.02 -1.26 -4.55 135.00 135.98 2cv4 n PRO 188 Ca 0.05 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 2cv4 n PRO 188 Cb 0.50 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.89 1.18 -1.96 0.52 -0.02 -1.26 -4.94 135.00 132.42 2cv4 n PRO 189 Ca 0.21 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2cv4 n PRO 189 Cb 0.19 -2.02 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.13 3.47 -0.02 0.52 0.02 -1.26 -4.93 135.00 130.68 2cv4 s PRO 190 Ca 0.66 2.10 0.09 0.00 0.02 0.00 0.00 61.00 63.87 2cv4 s PRO 190 Cb -0.53 -2.40 0.25 0.00 0.02 0.00 0.00 34.50 31.85 2cv4 s PRO 190 CO 0.55 -0.88 1.21 0.25 -0.33 0.00 0.00 177.00 177.80 2cv4 n THR 191 N -0.65 1.11 -3.89 0.99 -2.24 -1.26 -4.89 114.28 103.45 2cv4 n THR 191 Ca 0.08 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.67 2cv4 n THR 191 Cb 0.45 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.17 0.06 0.31 4.28 -4.23 -1.26 -5.03 115.64 108.60 2cv4 s THR 192 Ca 0.20 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 2cv4 s THR 192 Cb 0.11 -0.29 0.30 0.00 1.34 0.00 0.00 72.50 73.97 2cv4 s THR 192 CO 0.12 -0.29 1.71 -0.08 -0.54 0.00 0.00 174.62 175.54 2cv4 h GLU 193 N 4.95 0.47 -0.50 3.99 4.81 -2.00 -1.35 114.58 124.96 2cv4 h GLU 193 Ca -0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 2cv4 h GLU 193 Cb 1.20 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2cv4 h GLU 193 CO 0.42 0.31 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.54 2cv4 h ASP 194 N 0.48 0.89 -0.44 1.04 3.32 -2.00 -2.58 116.42 117.14 2cv4 h ASP 194 Ca 0.61 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 2cv4 h ASP 194 Cb 1.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2cv4 h ASP 194 CO -0.51 1.00 0.18 1.56 -1.72 0.00 0.00 179.24 179.75 2cv4 h GLN 195 N 0.76 0.66 -0.92 3.56 4.20 -1.69 -1.86 115.11 119.82 2cv4 h GLN 195 Ca 0.14 -0.12 0.13 0.00 0.06 0.00 0.00 58.65 58.86 2cv4 h GLN 195 Cb 0.56 -0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 2cv4 h GLN 195 CO 0.03 0.61 0.54 0.00 -0.67 0.00 0.00 178.83 179.34 2cv4 h ALA 196 N 1.02 1.40 -0.21 3.87 0.00 -1.16 0.04 119.26 124.22 2cv4 h ALA 196 Ca 0.15 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 2cv4 h ALA 196 Cb 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2cv4 h ALA 196 CO -0.01 0.06 -0.67 0.00 0.00 0.00 0.00 179.25 178.63 2cv4 h ARG 197 N 0.81 0.82 0.00 0.00 3.08 -1.25 -2.90 114.38 114.93 2cv4 h ARG 197 Ca 0.48 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2cv4 h ARG 197 Cb 0.57 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 2cv4 h ARG 197 CO -0.31 1.21 -0.08 0.00 -1.07 0.00 0.00 179.97 179.73 2cv4 h ALA 198 N 0.64 1.26 -2.67 0.04 0.00 -0.46 -3.51 119.26 114.56 2cv4 h ALA 198 Ca -0.02 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.33 2cv4 h ALA 198 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2cv4 h ALA 198 CO 0.14 0.10 0.40 0.50 0.00 0.00 0.00 179.25 180.39 2cv4 s ARG 199 N -4.21 4.63 0.00 0.00 6.06 -0.09 -5.09 118.95 120.24 2cv4 s ARG 199 Ca -0.03 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.76 2cv4 s ARG 199 Cb 0.13 -3.04 0.00 0.00 0.06 0.00 0.00 34.95 32.10 2cv4 s ARG 199 CO 0.55 0.27 0.00 0.39 -2.50 0.00 0.00 175.30 174.02 2cv4 n GLU 201 N 0.97 0.00 0.00 5.12 4.71 -1.26 -4.86 120.64 125.32 2cv4 n GLU 201 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2cv4 n GLU 201 Cb 0.47 -0.49 0.00 0.00 -1.01 0.00 0.00 31.44 30.41 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2cv4 n SER 202 N 0.00 0.00 -4.46 1.62 2.88 -1.26 -4.49 113.62 107.92 2cv4 n SER 202 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2cv4 n SER 202 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.66 0.32 0.46 0.00 -1.26 -4.75 107.32 103.48 2cv4 s GLY 203 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2cv4 s GLY 203 CO 0.00 -0.14 0.00 -1.06 0.00 0.00 0.00 173.10 171.90 2cv4 n GLN 204 N 3.47 -5.08 0.00 2.90 1.13 -1.26 -4.97 117.38 113.57 2cv4 n GLN 204 Ca -0.18 3.64 0.00 0.00 -1.94 0.00 0.00 57.00 58.53 2cv4 n GLN 204 Cb 0.53 -4.03 0.00 0.00 0.11 0.00 0.00 30.24 26.84 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 0.93 0.00 -2.33 1.08 4.02 -1.18 -5.01 117.16 114.67 2cv4 n TYR 205 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 2cv4 n TYR 205 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 2cv4 n TYR 205 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2cv4 s ARG 206 N -1.40 3.80 -0.02 -0.72 3.00 -0.64 -4.16 118.95 118.82 2cv4 s ARG 206 Ca 0.00 1.69 0.01 0.00 0.00 0.00 0.00 55.73 57.43 2cv4 s ARG 206 Cb 0.00 -2.38 0.01 0.00 0.00 0.00 0.00 34.95 32.58 2cv4 s ARG 206 CO 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 175.30 174.76 2cv4 n LEU 208 N 3.38 0.55 -3.77 0.00 4.77 0.34 -4.99 117.00 117.28 2cv4 n LEU 208 Ca -0.18 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 2cv4 n LEU 208 Cb 0.55 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2cv4 n LEU 208 CO 0.25 -0.03 0.70 -0.62 -1.33 0.00 0.00 177.39 176.35 2cv4 s ASP 209 N -5.20 -0.18 0.38 -1.43 -1.08 -1.23 -4.94 116.67 102.99 2cv4 s ASP 209 Ca -0.04 -0.43 0.26 0.00 -0.52 0.00 0.00 52.55 51.82 2cv4 s ASP 209 Cb 0.10 0.51 1.36 0.00 -1.46 0.00 0.00 42.92 43.43 2cv4 s ASP 209 CO 0.83 -0.95 1.79 4.11 0.52 0.00 0.00 175.17 181.47 2cv4 h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.89 0.35 115.95 116.13 2cv4 h TRP 210 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 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 0.40 0.00 -0.18 -2.67 -1.28 0.00 0.00 178.44 174.71 2cv4 n TRP 211 N -2.41 0.00 -3.80 0.12 4.27 -1.26 -4.41 117.44 109.94 2cv4 n TRP 211 Ca -0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.32 2cv4 n TRP 211 Cb 0.07 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.90 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 -1.72 3.01 0.06 -2.67 2.19 0.11 -4.56 117.98 114.40 2cv4 s PHE 212 Ca 0.17 -3.10 0.09 0.00 0.33 0.00 0.00 56.93 54.43 2cv4 s PHE 212 Cb 0.14 -2.36 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 2cv4 s PHE 212 CO 0.32 -0.62 -0.25 0.00 1.83 0.00 0.00 175.22 176.50 2cv4 s TRP 214 N -0.87 -0.24 0.09 0.00 1.48 -0.54 -0.37 118.94 118.49 2cv4 s TRP 214 Ca 0.13 -0.06 0.01 0.00 -1.06 0.00 0.00 56.10 55.12 2cv4 s TRP 214 Cb -0.10 0.29 -0.01 0.00 -1.16 0.00 0.00 33.47 32.49 2cv4 s TRP 214 CO 0.03 -0.71 0.05 -0.40 -4.06 0.00 0.00 176.95 171.86 2cv4 n ASP 215 N -0.23 0.36 -3.30 -2.66 5.68 -0.86 -1.62 116.55 113.92 2cv4 n ASP 215 Ca -0.16 -1.53 -0.26 0.00 -0.50 0.00 0.00 54.79 52.33 2cv4 n ASP 215 Cb 0.64 0.34 -0.07 0.00 -1.14 0.00 0.00 41.12 40.89 2cv4 n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2cv4 n THR 216 N -0.19 1.81 0.72 2.12 -2.24 -1.26 -1.30 114.28 113.94 2cv4 n THR 216 Ca 0.00 -5.03 0.13 0.00 -2.27 0.00 0.00 64.05 56.89 2cv4 n THR 216 Cb 0.15 -1.91 0.43 0.00 -2.10 0.00 0.00 70.33 66.90 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 0.78 0.20 -2.31 -0.78 -0.04 -1.26 -4.87 135.00 126.71 2cv4 n PRO 217 Ca 0.28 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 2cv4 n PRO 217 Cb 0.44 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.08 3.48 0.67 0.55 0.00 -1.26 -4.99 121.76 117.13 2cv4 s ALA 218 Ca 0.11 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 2cv4 s ALA 218 Cb 0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2cv4 s ALA 218 CO 0.59 -0.47 1.23 -1.54 0.00 0.00 0.00 175.76 175.58 2cv4 s SER 219 N 0.55 4.61 0.58 0.00 1.04 -1.26 -4.78 113.70 114.43 2cv4 s SER 219 Ca 0.57 2.45 0.27 0.00 0.48 0.00 0.00 55.95 59.72 2cv4 s SER 219 Cb -0.34 -2.60 1.67 0.00 0.10 0.00 0.00 66.02 64.86 2cv4 s SER 219 CO 0.34 -1.99 2.18 -0.09 0.98 0.00 0.00 173.24 174.66 2cv4 h ARG 220 N 0.30 0.00 -0.07 4.02 2.43 -1.98 -1.23 114.38 117.85 2cv4 h ARG 220 Ca -0.49 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.47 2cv4 h ARG 220 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2cv4 h ARG 220 CO 0.52 0.00 -0.81 -0.44 -1.51 0.00 0.00 179.97 177.73 2cv4 h ASP 221 N 0.00 0.64 -0.06 -3.80 3.32 -1.99 -2.24 116.42 112.30 2cv4 h ASP 221 Ca 0.04 -0.45 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 2cv4 h ASP 221 Cb 0.20 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2cv4 h ASP 221 CO -0.00 1.22 -0.58 0.44 -1.72 0.00 0.00 179.24 178.60 2cv4 h ASP 222 N 0.34 0.73 -0.00 6.45 3.32 -1.59 -1.23 116.42 124.45 2cv4 h ASP 222 Ca -0.05 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 2cv4 h ASP 222 Cb 1.42 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2cv4 h ASP 222 CO 0.15 1.15 -0.20 0.58 -1.72 0.00 0.00 179.24 179.20 2cv4 h VAL 223 N 0.49 1.24 -0.11 -1.35 2.07 -1.41 -2.06 116.25 115.12 2cv4 h VAL 223 Ca 0.00 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.24 2cv4 h VAL 223 Cb 1.15 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2cv4 h VAL 223 CO 0.11 0.34 -0.71 -0.08 0.02 0.00 0.00 177.57 177.26 2cv4 h GLU 224 N 0.33 0.67 -0.23 1.57 4.57 -1.22 -0.80 114.58 119.48 2cv4 h GLU 224 Ca 0.06 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2cv4 h GLU 224 Cb 0.55 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2cv4 h GLU 224 CO 0.04 1.19 0.15 1.49 -1.18 0.00 0.00 179.01 180.70 2cv4 h GLU 225 N 0.34 0.31 -0.69 1.92 4.81 -1.10 0.26 114.58 120.44 2cv4 h GLU 225 Ca -0.06 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2cv4 h GLU 225 Cb 1.35 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 2cv4 h GLU 225 CO 0.15 0.22 0.24 0.00 -0.73 0.00 0.00 179.01 178.88 2cv4 h ALA 226 N 1.07 0.90 -0.20 2.92 0.00 -1.32 -2.37 119.26 120.27 2cv4 h ALA 226 Ca 0.08 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2cv4 h ALA 226 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2cv4 h ALA 226 CO -0.02 0.55 -0.17 -0.09 0.00 0.00 0.00 179.25 179.52 2cv4 h ARG 227 N 0.99 0.33 0.00 0.00 2.43 -0.74 -2.46 114.38 114.94 2cv4 h ARG 227 Ca 0.22 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 2cv4 h ARG 227 Cb 0.27 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2cv4 h ARG 227 CO -0.01 0.51 -0.61 0.07 -1.51 0.00 0.00 179.97 178.42 2cv4 h ARG 228 N 0.31 0.00 -0.92 0.20 0.11 0.03 -1.52 114.38 112.58 2cv4 h ARG 228 Ca 0.06 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.14 2cv4 h ARG 228 Cb 0.49 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.53 2cv4 h ARG 228 CO 0.03 0.61 0.60 1.88 0.10 0.00 0.00 179.97 183.19 2cv4 h TYR 229 N 0.00 1.17 -0.29 4.08 0.05 -1.13 -0.21 116.97 120.65 2cv4 h TYR 229 Ca -0.01 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 2cv4 h TYR 229 Cb 1.09 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2cv4 h TYR 229 CO 0.00 0.75 -0.42 -0.07 -1.05 0.00 0.00 178.16 177.37 2cv4 h LEU 230 N 1.26 0.78 -0.51 3.88 4.07 -1.34 -2.18 115.31 121.27 2cv4 h LEU 230 Ca 0.34 -0.36 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 2cv4 h LEU 230 Cb -0.13 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.38 2cv4 h LEU 230 CO -0.07 1.09 -0.09 0.03 -1.08 0.00 0.00 178.44 178.32 2cv4 h ARG 231 N 0.59 0.97 -0.91 1.13 3.08 -0.50 -2.23 114.38 116.51 2cv4 h ARG 231 Ca 0.04 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2cv4 h ARG 231 Cb 0.97 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 2cv4 h ARG 231 CO 0.09 1.02 0.58 -0.09 -1.07 0.00 0.00 179.97 180.50 2cv4 h ARG 232 N 0.83 1.21 -0.15 0.04 2.43 -1.00 0.17 114.38 117.92 2cv4 h ARG 232 Ca 0.13 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2cv4 h ARG 232 Cb 0.65 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2cv4 h ARG 232 CO 0.04 0.82 -0.38 0.00 -1.51 0.00 0.00 179.97 178.94 2cv4 h ALA 233 N 1.40 1.08 0.00 2.80 0.00 -1.09 -2.91 119.26 120.54 2cv4 h ALA 233 Ca 0.33 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2cv4 h ALA 233 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2cv4 h ALA 233 CO -0.07 0.59 -0.43 0.00 0.00 0.00 0.00 179.25 179.34 2cv4 h ALA 234 N 1.33 0.79 -2.66 0.00 0.00 -0.70 -3.46 119.26 114.57 2cv4 h ALA 234 Ca 0.03 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 2cv4 h ALA 234 Cb 0.80 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2cv4 h ALA 234 CO 0.06 0.28 0.19 -1.83 0.00 0.00 0.00 179.25 177.95 2cv4 s GLU 235 N -3.13 4.53 0.05 0.00 -1.05 0.51 -5.00 118.70 114.62 2cv4 s GLU 235 Ca 0.04 1.12 -0.31 0.00 -0.15 0.00 0.00 54.97 55.68 2cv4 s GLU 235 Cb 0.07 -3.35 -0.07 0.00 -0.44 0.00 0.00 34.13 30.34 2cv4 s GLU 235 CO 0.72 0.31 1.43 0.21 0.95 0.00 0.00 175.26 178.89 2cv4 s LYS 236 N -0.20 4.29 0.38 -4.83 2.20 -1.26 -4.96 119.74 115.37 2cv4 s LYS 236 Ca 0.39 2.06 -0.28 0.00 -0.36 0.00 0.00 55.97 57.78 2cv4 s LYS 236 Cb -0.21 -3.45 -0.11 0.00 -1.51 0.00 0.00 37.83 32.55 2cv4 s LYS 236 CO 0.24 -0.54 1.47 -2.14 -0.36 0.00 0.00 175.35 174.02 2cv4 s PRO 237 N 1.92 4.07 0.00 4.03 0.02 -1.26 -4.87 135.00 138.90 2cv4 s PRO 237 Ca 0.65 2.54 0.19 0.00 0.02 0.00 0.00 61.00 64.40 2cv4 s PRO 237 Cb -0.35 -2.93 0.56 0.00 0.02 0.00 0.00 34.50 31.80 2cv4 s PRO 237 CO 0.29 -0.55 1.44 0.00 -0.33 0.00 0.00 177.00 177.85 2cv4 n ALA 238 N 0.39 2.47 -3.29 -1.55 0.00 -1.26 -4.67 120.51 112.60 2cv4 n ALA 238 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 53.44 52.66 2cv4 n ALA 238 Cb 0.40 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.59 0.43 0.01 0.00 2.20 -1.26 -5.14 119.74 114.39 2cv4 s LYS 239 Ca 0.33 0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 56.00 2cv4 s LYS 239 Cb 0.18 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 2cv4 s LYS 239 CO 0.26 -0.92 0.83 -0.51 -0.36 0.00 0.00 175.35 174.65 2cv4 s LEU 240 N 2.60 4.39 0.00 5.43 1.43 -1.26 -4.95 118.68 126.32 2cv4 s LEU 240 Ca 0.11 1.48 0.12 0.00 -1.03 0.00 0.00 54.13 54.81 2cv4 s LEU 240 Cb -0.13 -3.33 0.51 0.00 0.03 0.00 0.00 46.19 43.27 2cv4 s LEU 240 CO -0.26 -0.12 1.38 0.18 0.23 0.00 0.00 176.35 177.77 2cv4 n LEU 241 N 3.42 0.00 0.00 1.79 4.77 -1.26 -5.24 117.00 120.48 2cv4 n LEU 241 Ca 0.01 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 2cv4 n LEU 241 Cb 0.51 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.53 2cv4 n LEU 241 CO 0.49 -0.29 0.63 0.00 -1.33 0.00 0.00 177.39 176.89