#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vn3 n ASP 2 N 0.00 0.00 0.22 1.08 -0.08 -1.26 -4.93 116.55 111.58 2vn3 n ASP 2 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 2vn3 n ASP 2 Cb 0.00 0.00 0.38 0.00 2.34 0.00 0.00 41.12 43.84 2vn3 n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2vn3 h ALA 3 N 0.53 1.00 0.00 -1.67 0.00 -2.02 -3.29 119.26 113.81 2vn3 h ALA 3 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2vn3 h ALA 3 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2vn3 h ALA 3 CO 0.00 0.00 -0.20 -0.44 0.00 0.00 0.00 179.25 178.61 2vn3 h ASP 4 N 0.00 0.00 0.68 0.00 3.32 -2.02 -2.69 116.42 115.71 2vn3 h ASP 4 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vn3 h ASP 4 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2vn3 h ASP 4 CO 0.00 0.20 0.00 0.11 -1.72 0.00 0.00 179.24 177.83 2vn3 h LYS 5 N 0.00 0.00 -6.55 3.56 6.56 -1.95 -3.47 116.57 114.73 2vn3 h LYS 5 Ca -0.00 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.07 2vn3 h LYS 5 Cb 0.86 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.49 2vn3 h LYS 5 CO 0.03 0.00 0.02 -0.51 -2.06 0.00 0.00 179.45 176.93 2vn3 s LEU 6 N -5.22 4.21 0.72 2.94 1.43 -1.02 -5.07 118.68 116.67 2vn3 s LEU 6 Ca 0.02 1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 2vn3 s LEU 6 Cb 0.09 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2vn3 s LEU 6 CO 0.42 -0.06 1.24 -2.16 0.23 0.00 0.00 176.35 176.03 2vn3 s PRO 7 N -2.49 2.17 0.05 1.29 0.04 -1.26 -4.73 135.00 130.07 2vn3 s PRO 7 Ca 0.47 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.45 2vn3 s PRO 7 Cb -0.13 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2vn3 s PRO 7 CO 0.19 -1.84 -0.09 -1.01 0.04 0.00 0.00 177.00 174.29 2vn3 s HIS 8 N -1.78 2.80 0.01 0.56 3.76 -1.26 -1.06 115.29 118.31 2vn3 s HIS 8 Ca 0.77 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.62 2vn3 s HIS 8 Cb -0.32 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2vn3 s HIS 8 CO 0.44 0.38 -0.13 0.99 -0.85 0.00 0.00 174.74 175.57 2vn3 s THR 9 N -1.09 1.03 -0.15 1.30 2.01 -1.00 -4.94 115.64 112.80 2vn3 s THR 9 Ca 0.19 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 2vn3 s THR 9 Cb -0.11 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2vn3 s THR 9 CO 0.10 0.14 0.06 -0.54 -0.69 0.00 0.00 174.62 173.69 2vn3 s LYS 10 N -0.71 3.65 -0.10 4.92 1.02 -1.26 -0.64 119.74 126.61 2vn3 s LYS 10 Ca 0.03 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.70 2vn3 s LYS 10 Cb -0.06 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 2vn3 s LYS 10 CO 0.00 0.46 -0.10 0.08 -0.92 0.00 0.00 175.35 174.88 2vn3 s VAL 11 N -0.17 3.40 -0.33 3.17 1.01 -0.81 -4.94 120.40 121.72 2vn3 s VAL 11 Ca 0.07 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2vn3 s VAL 11 Cb -0.12 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2vn3 s VAL 11 CO 0.01 0.55 0.28 -0.89 0.00 0.00 0.00 175.10 175.05 2vn3 s THR 12 N -0.21 5.25 0.58 3.92 2.01 -1.26 -4.75 115.64 121.18 2vn3 s THR 12 Ca 0.02 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 2vn3 s THR 12 Cb -0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2vn3 s THR 12 CO 0.03 -0.01 1.07 -0.76 -0.69 0.00 0.00 174.62 174.26 2vn3 s LEU 13 N 1.83 3.55 0.23 4.42 1.43 -1.26 -4.83 118.68 124.05 2vn3 s LEU 13 Ca 0.08 1.88 0.09 0.00 -1.03 0.00 0.00 54.13 55.15 2vn3 s LEU 13 Cb -0.17 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 2vn3 s LEU 13 CO 0.11 -1.18 -0.15 0.68 0.23 0.00 0.00 176.35 176.04 2vn3 s VAL 14 N -2.32 1.92 0.27 -1.59 -7.23 -1.26 -4.99 120.40 105.19 2vn3 s VAL 14 Ca 0.65 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 2vn3 s VAL 14 Cb -0.17 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 2vn3 s VAL 14 CO 0.34 -0.50 1.02 0.00 -0.31 0.00 0.00 175.10 175.65 2vn3 s ALA 15 N -2.86 3.35 0.63 1.32 0.00 -1.26 -4.53 121.76 118.41 2vn3 s ALA 15 Ca 0.25 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2vn3 s ALA 15 Cb -0.01 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2vn3 s ALA 15 CO 0.10 0.03 1.02 -2.30 0.00 0.00 0.00 175.76 174.61 2vn3 n PRO 16 N 1.24 0.86 -0.03 0.00 -0.02 -1.26 -2.13 135.00 133.67 2vn3 n PRO 16 Ca -0.01 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 61.89 2vn3 n PRO 16 Cb 0.46 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.08 2vn3 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2vn3 n PRO 17 N -1.34 1.22 -2.11 0.52 -0.04 -1.26 -5.04 135.00 126.96 2vn3 n PRO 17 Ca 0.14 -0.34 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 2vn3 n PRO 17 Cb 0.48 -1.26 0.02 0.00 -0.04 0.00 0.00 33.50 32.70 2vn3 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2vn3 s GLN 18 N -1.92 3.27 -0.04 0.54 -1.52 -0.90 -1.00 119.66 118.08 2vn3 s GLN 18 Ca 0.23 0.44 0.05 0.00 -1.95 0.00 0.00 55.36 54.13 2vn3 s GLN 18 Cb 0.11 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.75 2vn3 s GLN 18 CO 0.18 -0.65 -0.18 0.08 -0.25 0.00 0.00 175.29 174.47 2vn3 s VAL 19 N -3.12 1.53 0.54 1.09 1.01 -1.26 -4.61 120.40 115.59 2vn3 s VAL 19 Ca 0.54 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2vn3 s VAL 19 Cb -0.11 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 2vn3 s VAL 19 CO 0.50 0.44 1.08 0.00 0.00 0.00 0.00 175.10 177.12 2vn3 n HIS 20 N 3.07 1.32 -1.61 5.22 1.44 -1.26 -4.88 115.22 118.52 2vn3 n HIS 20 Ca -0.18 0.46 -0.48 0.00 -2.01 0.00 0.00 57.72 55.51 2vn3 n HIS 20 Cb 0.53 -2.22 -0.04 0.00 0.12 0.00 0.00 29.99 28.38 2vn3 n HIS 20 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2vn3 n PRO 21 N -0.74 1.49 -3.71 -1.40 -0.02 -1.26 -4.97 135.00 124.39 2vn3 n PRO 21 Ca 0.12 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 2vn3 n PRO 21 Cb 0.45 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 2vn3 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2vn3 s HIS 22 N 0.06 -0.16 0.14 6.00 -3.43 -1.26 -5.07 115.29 111.57 2vn3 s HIS 22 Ca 0.74 -0.17 -0.07 0.00 -0.80 0.00 0.00 55.06 54.76 2vn3 s HIS 22 Cb -0.80 0.42 -0.06 0.00 -1.43 0.00 0.00 32.58 30.71 2vn3 s HIS 22 CO 0.49 -0.92 0.41 -1.21 -2.00 0.00 0.00 174.74 171.51 2vn3 s GLU 23 N -3.86 3.68 0.00 -0.38 2.02 -1.26 -5.08 118.70 113.81 2vn3 s GLU 23 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2vn3 s GLU 23 Cb -0.01 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.37 2vn3 s GLU 23 CO -0.04 0.47 0.00 1.04 0.02 0.00 0.00 175.26 176.75 2vn3 n GLN 24 N 0.25 0.00 -1.77 1.61 6.02 -1.26 -4.86 117.38 117.37 2vn3 n GLN 24 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 2vn3 n GLN 24 Cb 0.52 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.78 2vn3 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vn3 n ALA 25 N -3.00 2.49 -2.75 -1.58 0.00 -1.26 -4.15 120.51 110.26 2vn3 n ALA 25 Ca 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.63 2vn3 n ALA 25 Cb 0.00 -2.44 -0.14 0.00 0.00 0.00 0.00 19.45 16.87 2vn3 n ALA 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2vn3 s THR 26 N -0.79 0.58 -0.66 0.00 -1.32 0.19 -4.87 115.64 108.76 2vn3 s THR 26 Ca 0.56 -0.51 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 2vn3 s THR 26 Cb -0.48 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2vn3 s THR 26 CO 0.59 0.02 1.19 0.29 -2.21 0.00 0.00 174.62 174.51 2vn3 n LYS 27 N 2.52 0.26 -0.79 7.08 5.02 -1.26 -4.67 118.16 126.33 2vn3 n LYS 27 Ca -0.15 0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 2vn3 n LYS 27 Cb 0.57 -1.63 0.21 0.00 -0.02 0.00 0.00 35.03 34.16 2vn3 n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2vn3 s SER 28 N -3.97 1.90 0.33 4.39 0.15 -1.26 -5.07 113.70 110.17 2vn3 s SER 28 Ca 0.05 1.53 0.09 0.00 0.70 0.00 0.00 55.95 58.33 2vn3 s SER 28 Cb 0.14 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 2vn3 s SER 28 CO 0.76 -3.63 0.02 -0.83 1.20 0.00 0.00 173.24 170.76 2vn3 s GLY 29 N -2.86 2.01 -0.26 9.45 0.00 -1.26 -5.06 107.32 109.34 2vn3 s GLY 29 Ca 0.67 -1.91 -0.42 0.00 0.00 0.00 0.00 44.72 43.05 2vn3 s GLY 29 CO 0.61 -1.86 1.50 -1.05 0.00 0.00 0.00 173.10 172.29 2vn3 n PRO 30 N -0.97 0.46 -4.61 2.90 -0.02 -1.26 -4.97 135.00 126.53 2vn3 n PRO 30 Ca -0.04 0.17 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 2vn3 n PRO 30 Cb 0.62 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 2vn3 n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2vn3 s LYS 31 N 2.20 2.01 -0.48 -0.52 1.02 -1.26 -4.62 119.74 118.09 2vn3 s LYS 31 Ca 0.98 -2.14 -0.14 0.00 0.02 0.00 0.00 55.97 54.69 2vn3 s LYS 31 Cb -1.27 -1.64 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 2vn3 s LYS 31 CO 0.68 -0.10 0.40 0.08 -0.92 0.00 0.00 175.35 175.48 2vn3 s VAL 32 N -2.73 4.94 -0.19 3.17 1.01 -0.23 -1.38 120.40 124.98 2vn3 s VAL 32 Ca 0.31 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 2vn3 s VAL 32 Cb 0.08 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2vn3 s VAL 32 CO 0.16 -0.67 0.73 -0.69 0.00 0.00 0.00 175.10 174.63 2vn3 s VAL 33 N 1.56 4.94 -0.18 2.92 1.01 -0.01 -2.39 120.40 128.26 2vn3 s VAL 33 Ca 0.04 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.35 2vn3 s VAL 33 Cb -0.26 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2vn3 s VAL 33 CO 0.04 0.05 0.05 -1.61 0.00 0.00 0.00 175.10 173.63 2vn3 s GLU 34 N 2.14 3.93 0.11 2.72 2.02 0.18 -0.30 118.70 129.51 2vn3 s GLU 34 Ca 0.33 -0.37 0.05 0.00 0.02 0.00 0.00 54.97 55.01 2vn3 s GLU 34 Cb -0.16 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 2vn3 s GLU 34 CO 0.11 0.26 -0.13 -0.06 0.02 0.00 0.00 175.26 175.45 2vn3 s PHE 35 N 0.39 1.33 -0.01 1.61 0.40 0.12 -1.92 117.98 119.90 2vn3 s PHE 35 Ca 0.02 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 2vn3 s PHE 35 Cb -0.13 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 2vn3 s PHE 35 CO 0.01 0.11 -0.09 -0.08 0.70 0.00 0.00 175.22 175.87 2vn3 s THR 36 N -2.12 0.74 0.02 0.64 -1.32 -1.26 -0.70 115.64 111.64 2vn3 s THR 36 Ca 0.07 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 2vn3 s THR 36 Cb -0.05 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.30 2vn3 s THR 36 CO 0.02 0.21 -0.06 -0.04 -2.21 0.00 0.00 174.62 172.55 2vn3 s MET 37 N -0.18 0.41 -0.19 7.08 -1.94 -0.31 -4.94 119.30 119.23 2vn3 s MET 37 Ca 0.03 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.58 2vn3 s MET 37 Cb -0.04 -0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.57 2vn3 s MET 37 CO -0.00 0.06 -0.14 0.99 -0.01 0.00 0.00 175.02 175.92 2vn3 s THR 38 N -0.76 1.81 0.32 2.05 2.01 -1.26 -1.33 115.64 118.47 2vn3 s THR 38 Ca -0.05 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 2vn3 s THR 38 Cb -0.06 -1.77 -0.11 0.00 0.01 0.00 0.00 72.50 70.58 2vn3 s THR 38 CO -0.00 0.32 1.46 -0.63 -0.69 0.00 0.00 174.62 175.08 2vn3 s ILE 39 N 1.35 2.34 -0.09 1.82 1.01 -0.48 -0.49 121.20 126.66 2vn3 s ILE 39 Ca 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 2vn3 s ILE 39 Cb -0.15 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.16 2vn3 s ILE 39 CO -0.10 0.06 0.04 -0.70 0.00 0.00 0.00 174.94 174.25 2vn3 s GLU 40 N -1.23 0.25 0.26 2.79 2.12 0.23 -4.50 118.70 118.63 2vn3 s GLU 40 Ca 0.56 0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.79 2vn3 s GLU 40 Cb -0.44 -1.03 -0.09 0.00 0.26 0.00 0.00 34.13 32.83 2vn3 s GLU 40 CO 0.53 -0.40 0.83 -1.21 -0.54 0.00 0.00 175.26 174.46 2vn3 s GLU 41 N 2.07 4.45 -0.19 4.30 2.02 -1.26 -1.73 118.70 128.36 2vn3 s GLU 41 Ca 0.04 1.12 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 2vn3 s GLU 41 Cb -0.13 -2.91 0.15 0.00 0.10 0.00 0.00 34.13 31.34 2vn3 s GLU 41 CO -0.05 0.37 1.13 -1.59 0.02 0.00 0.00 175.26 175.14 2vn3 s LYS 42 N -1.88 0.41 0.16 1.61 -2.85 -0.70 -4.98 119.74 111.51 2vn3 s LYS 42 Ca 0.45 0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 55.15 2vn3 s LYS 42 Cb -0.19 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 2vn3 s LYS 42 CO 0.23 -0.14 0.98 0.21 0.10 0.00 0.00 175.35 176.73 2vn3 s LYS 43 N -1.47 4.73 0.01 1.78 2.20 -1.26 -0.75 119.74 124.99 2vn3 s LYS 43 Ca 0.04 1.51 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 2vn3 s LYS 43 Cb -0.01 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2vn3 s LYS 43 CO -0.03 0.29 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.49 2vn3 s MET 44 N -0.46 0.86 -0.14 4.03 -1.94 -0.33 -4.92 119.30 116.40 2vn3 s MET 44 Ca 0.45 -0.56 -0.22 0.00 -1.71 0.00 0.00 55.69 53.66 2vn3 s MET 44 Cb -0.25 -0.83 -0.03 0.00 2.01 0.00 0.00 34.83 35.73 2vn3 s MET 44 CO 0.31 0.21 0.65 0.08 -0.01 0.00 0.00 175.02 176.27 2vn3 s VAL 45 N -0.58 5.04 -0.60 -6.03 1.01 -1.26 -0.37 120.40 117.61 2vn3 s VAL 45 Ca 0.02 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.37 2vn3 s VAL 45 Cb -0.06 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 2vn3 s VAL 45 CO 0.00 0.18 0.48 2.30 0.00 0.00 0.00 175.10 178.06 2vn3 n ILE 46 N 4.26 0.00 -3.92 2.22 -5.35 -0.28 -4.81 119.36 111.48 2vn3 n ILE 46 Ca -0.02 -0.31 -0.11 0.00 -0.27 0.00 0.00 62.75 62.04 2vn3 n ILE 46 Cb 0.50 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 2vn3 n ILE 46 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2vn3 n ASP 47 N -0.91 -1.08 -0.57 7.28 5.68 -1.26 -0.44 116.55 125.26 2vn3 n ASP 47 Ca 0.03 -2.43 0.06 0.00 -0.50 0.00 0.00 54.79 51.94 2vn3 n ASP 47 Cb 0.17 1.99 0.17 0.00 -1.14 0.00 0.00 41.12 42.31 2vn3 n ASP 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2vn3 n ASP 48 N -1.73 1.67 -0.23 -1.12 10.43 -1.26 -3.31 116.55 120.99 2vn3 n ASP 48 Ca 0.00 -1.96 0.09 0.00 2.57 0.00 0.00 54.79 55.49 2vn3 n ASP 48 Cb 0.45 -0.20 0.16 0.00 1.84 0.00 0.00 41.12 43.37 2vn3 n ASP 48 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2vn3 n LYS 49 N 0.40 1.39 -1.35 -1.24 2.85 -1.26 -4.99 118.16 113.95 2vn3 n LYS 49 Ca 0.11 -2.78 -0.11 0.00 -1.05 0.00 0.00 58.31 54.48 2vn3 n LYS 49 Cb 0.27 -1.54 -0.04 0.00 -0.65 0.00 0.00 35.03 33.07 2vn3 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2vn3 n GLY 50 N -1.34 1.16 3.75 2.58 0.00 -1.21 -4.99 105.19 105.14 2vn3 n GLY 50 Ca 0.17 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2vn3 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn3 s THR 51 N -2.41 3.02 0.23 2.61 2.01 -1.26 -4.91 115.64 114.94 2vn3 s THR 51 Ca 0.00 0.93 0.09 0.00 0.31 0.00 0.00 61.69 63.02 2vn3 s THR 51 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2vn3 s THR 51 CO 0.00 0.18 -0.04 0.42 -0.69 0.00 0.00 174.62 174.49 2vn3 s THR 52 N -0.53 3.36 -0.11 -0.82 -4.23 -1.26 -1.12 115.64 110.92 2vn3 s THR 52 Ca 0.52 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2vn3 s THR 52 Cb -0.37 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.73 2vn3 s THR 52 CO 0.44 -0.28 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.83 2vn3 s LEU 53 N -3.36 1.96 -0.99 4.79 2.96 0.50 -4.92 118.68 119.62 2vn3 s LEU 53 Ca 0.29 -0.52 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 2vn3 s LEU 53 Cb -0.07 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 2vn3 s LEU 53 CO 0.18 0.09 1.74 -1.10 -1.32 0.00 0.00 176.35 175.94 2vn3 s GLN 54 N 0.68 3.03 0.46 1.98 -1.52 -1.26 -1.18 119.66 121.85 2vn3 s GLN 54 Ca -0.12 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.53 2vn3 s GLN 54 Cb -0.16 -5.22 -0.00 0.00 -0.22 0.00 0.00 33.01 27.41 2vn3 s GLN 54 CO 0.02 -2.90 0.68 0.00 -0.25 0.00 0.00 175.29 172.84 2vn3 s ALA 55 N 7.83 3.78 -0.02 6.09 0.00 0.07 -4.93 121.76 134.57 2vn3 s ALA 55 Ca 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2vn3 s ALA 55 Cb -0.03 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.98 2vn3 s ALA 55 CO -0.03 -0.40 0.01 -1.64 0.00 0.00 0.00 175.76 173.69 2vn3 s MET 56 N -4.57 0.14 0.04 0.00 1.00 -0.29 -1.72 119.30 113.90 2vn3 s MET 56 Ca 0.49 0.09 0.01 0.00 0.00 0.00 0.00 55.69 56.28 2vn3 s MET 56 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 34.83 34.39 2vn3 s MET 56 CO 0.38 -0.11 -0.05 0.95 0.00 0.00 0.00 175.02 176.19 2vn3 s THR 57 N 0.80 0.37 -0.16 2.05 -4.23 -0.71 -2.41 115.64 111.36 2vn3 s THR 57 Ca -0.07 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 2vn3 s THR 57 Cb -0.10 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 2vn3 s THR 57 CO -0.02 -0.58 0.68 -0.36 -0.54 0.00 0.00 174.62 173.81 2vn3 s PHE 58 N -2.08 3.44 -1.53 3.99 0.08 -1.26 -0.60 117.98 120.02 2vn3 s PHE 58 Ca -0.07 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.06 2vn3 s PHE 58 Cb -0.05 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 2vn3 s PHE 58 CO -0.02 -0.11 0.00 0.09 -0.10 0.00 0.00 175.22 175.08 2vn3 n ASN 59 N 4.71 -4.86 0.00 1.36 4.13 0.35 -3.17 115.26 117.78 2vn3 n ASN 59 Ca -0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2vn3 n ASN 59 Cb 0.50 -3.88 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 2vn3 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vn3 n GLY 60 N -1.01 1.93 3.28 7.41 0.00 -1.26 -4.99 105.19 110.56 2vn3 n GLY 60 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 2vn3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vn3 s SER 61 N -3.44 2.59 -0.26 1.61 1.04 -1.19 -5.00 113.70 109.04 2vn3 s SER 61 Ca 0.00 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.72 2vn3 s SER 61 Cb 0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2vn3 s SER 61 CO 0.00 0.11 0.08 -0.04 0.98 0.00 0.00 173.24 174.37 2vn3 s MET 62 N -1.64 3.55 1.00 4.02 -1.94 -1.26 -2.68 119.30 120.35 2vn3 s MET 62 Ca 0.08 -0.55 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 2vn3 s MET 62 Cb -0.10 -3.37 0.21 0.00 2.01 0.00 0.00 34.83 33.59 2vn3 s MET 62 CO 0.03 -0.25 1.29 -1.25 -0.01 0.00 0.00 175.02 174.84 2vn3 s PRO 63 N 1.60 0.34 1.03 2.03 0.04 -1.26 -3.29 135.00 135.49 2vn3 s PRO 63 Ca 0.06 -0.37 -0.15 0.00 0.04 0.00 0.00 61.00 60.58 2vn3 s PRO 63 Cb -0.16 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.66 2vn3 s PRO 63 CO 0.04 -2.62 0.34 0.41 0.04 0.00 0.00 177.00 175.20 2vn3 n GLY 64 N -3.35 -2.11 3.76 0.56 0.00 0.49 -4.74 105.19 99.80 2vn3 n GLY 64 Ca 0.15 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 2vn3 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vn3 s PRO 65 N -3.67 2.29 -0.16 1.61 0.04 -1.26 -4.62 135.00 129.23 2vn3 s PRO 65 Ca 0.58 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 2vn3 s PRO 65 Cb -0.18 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2vn3 s PRO 65 CO 0.66 -1.63 0.74 0.99 0.04 0.00 0.00 177.00 177.79 2vn3 s THR 66 N -2.64 4.96 -0.08 1.26 2.01 -1.26 -4.27 115.64 115.63 2vn3 s THR 66 Ca 0.64 1.44 -0.17 0.00 0.31 0.00 0.00 61.69 63.91 2vn3 s THR 66 Cb -0.20 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2vn3 s THR 66 CO 0.51 0.10 0.46 -0.76 -0.69 0.00 0.00 174.62 174.25 2vn3 s LEU 67 N 1.77 4.34 -0.11 4.42 1.02 -0.58 -4.50 118.68 125.04 2vn3 s LEU 67 Ca 0.35 0.88 0.03 0.00 0.02 0.00 0.00 54.13 55.41 2vn3 s LEU 67 Cb -0.17 -2.68 0.01 0.00 0.02 0.00 0.00 46.19 43.37 2vn3 s LEU 67 CO 0.13 0.10 -0.20 -0.69 0.02 0.00 0.00 176.35 175.71 2vn3 s VAL 68 N 0.09 1.86 0.33 -1.59 1.01 -1.26 -0.26 120.40 120.58 2vn3 s VAL 68 Ca 0.25 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2vn3 s VAL 68 Cb -0.16 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2vn3 s VAL 68 CO 0.12 0.51 0.26 1.33 0.00 0.00 0.00 175.10 177.32 2vn3 n VAL 69 N 3.88 0.00 -4.28 2.92 0.24 -0.39 -5.00 118.33 115.69 2vn3 n VAL 69 Ca -0.20 -2.35 -0.24 0.00 -2.04 0.00 0.00 64.34 59.52 2vn3 n VAL 69 Cb 0.52 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 2vn3 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2vn3 s HIS 70 N -3.28 2.72 0.14 6.34 3.76 -1.26 -1.49 115.29 122.22 2vn3 s HIS 70 Ca 0.37 -0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 54.75 2vn3 s HIS 70 Cb 0.02 -1.23 -0.10 0.00 1.11 0.00 0.00 32.58 32.38 2vn3 s HIS 70 CO 0.26 0.60 1.70 -2.00 -0.85 0.00 0.00 174.74 174.45 2vn3 s GLU 71 N -3.53 4.17 0.00 1.40 2.12 -0.11 -1.27 118.70 121.47 2vn3 s GLU 71 Ca 0.30 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.12 2vn3 s GLU 71 Cb -0.07 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.96 2vn3 s GLU 71 CO 0.19 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 2vn3 n GLY 72 N 4.00 2.65 3.50 -1.50 0.00 -0.52 -4.65 105.19 108.68 2vn3 n GLY 72 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2vn3 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn3 s ASP 73 N -0.05 0.98 -0.09 1.61 1.01 -0.40 -4.69 116.67 115.03 2vn3 s ASP 73 Ca 0.00 1.41 0.05 0.00 0.71 0.00 0.00 52.55 54.72 2vn3 s ASP 73 Cb 0.00 -2.20 -0.00 0.00 1.01 0.00 0.00 42.92 41.73 2vn3 s ASP 73 CO 0.00 -4.19 -0.24 -0.31 0.21 0.00 0.00 175.17 170.64 2vn3 s TYR 74 N -2.51 2.53 -0.07 4.23 1.51 -0.48 -1.34 117.35 121.22 2vn3 s TYR 74 Ca 0.68 -0.92 -0.17 0.00 -1.01 0.00 0.00 57.07 55.65 2vn3 s TYR 74 Cb -0.24 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2vn3 s TYR 74 CO 0.64 -0.34 0.44 0.08 -1.11 0.00 0.00 175.55 175.25 2vn3 s VAL 75 N 0.17 5.12 -0.20 0.71 1.01 0.40 -0.83 120.40 126.77 2vn3 s VAL 75 Ca -0.14 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 2vn3 s VAL 75 Cb -0.16 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.51 2vn3 s VAL 75 CO 0.07 0.44 -0.02 -1.58 0.00 0.00 0.00 175.10 174.01 2vn3 s GLN 76 N -0.12 1.20 -0.12 2.72 0.74 0.59 -1.73 119.66 122.93 2vn3 s GLN 76 Ca 0.24 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.98 2vn3 s GLN 76 Cb -0.16 -2.28 -0.02 0.00 1.10 0.00 0.00 33.01 31.66 2vn3 s GLN 76 CO 0.11 -0.58 -0.12 -1.17 -0.55 0.00 0.00 175.29 172.98 2vn3 s LEU 77 N 1.63 2.81 -0.35 3.68 2.96 0.45 0.16 118.68 130.01 2vn3 s LEU 77 Ca -0.03 -0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 53.49 2vn3 s LEU 77 Cb -0.17 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 2vn3 s LEU 77 CO -0.07 0.20 0.24 -0.89 -1.32 0.00 0.00 176.35 174.50 2vn3 s THR 78 N 0.16 5.13 -0.24 3.68 2.01 0.13 -0.52 115.64 126.00 2vn3 s THR 78 Ca -0.06 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 2vn3 s THR 78 Cb -0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2vn3 s THR 78 CO 0.05 -0.07 0.09 -0.22 -0.69 0.00 0.00 174.62 173.77 2vn3 s LEU 79 N 1.69 3.63 -0.19 4.42 2.96 0.10 -1.17 118.68 130.12 2vn3 s LEU 79 Ca 0.05 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2vn3 s LEU 79 Cb -0.18 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 2vn3 s LEU 79 CO 0.10 0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.37 2vn3 s VAL 80 N 1.29 3.10 -0.61 1.68 1.01 -0.44 -0.95 120.40 125.49 2vn3 s VAL 80 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2vn3 s VAL 80 Cb -0.15 -2.37 0.16 0.00 0.00 0.00 0.00 36.38 34.02 2vn3 s VAL 80 CO 0.04 0.47 0.41 0.21 0.00 0.00 0.00 175.10 176.23 2vn3 s ASN 81 N 1.15 5.09 0.43 3.32 2.47 0.45 -1.39 114.94 126.47 2vn3 s ASN 81 Ca 0.01 -2.88 -0.23 0.00 0.42 0.00 0.00 52.86 50.18 2vn3 s ASN 81 Cb -0.14 -1.82 -0.11 0.00 -1.45 0.00 0.00 41.25 37.73 2vn3 s ASN 81 CO -0.03 -0.35 0.79 -2.65 -3.72 0.00 0.00 177.10 171.15 2vn3 n PRO 82 N 3.42 0.94 0.10 0.43 -0.02 -1.26 0.39 135.00 139.01 2vn3 n PRO 82 Ca 0.07 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 2vn3 n PRO 82 Cb 0.37 -1.79 0.37 0.00 -0.02 0.00 0.00 33.50 32.43 2vn3 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vn3 n ALA 83 N -0.73 1.14 0.95 3.55 0.00 -1.26 -1.36 120.51 122.79 2vn3 n ALA 83 Ca 0.11 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.77 2vn3 n ALA 83 Cb 0.40 -1.22 0.53 0.00 0.00 0.00 0.00 19.45 19.16 2vn3 n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vn3 n THR 84 N -1.97 0.36 -3.05 0.00 -2.24 -1.26 -4.75 114.28 101.38 2vn3 n THR 84 Ca -0.00 0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.60 2vn3 n THR 84 Cb 0.05 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.56 2vn3 n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2vn3 s ASN 85 N -2.75 6.36 -0.02 3.42 0.01 -0.47 -4.96 114.94 116.53 2vn3 s ASN 85 Ca 0.17 0.78 0.21 0.00 -0.71 0.00 0.00 52.86 53.31 2vn3 s ASN 85 Cb 0.15 -2.18 -0.27 0.00 0.41 0.00 0.00 41.25 39.36 2vn3 s ASN 85 CO 0.37 -0.37 0.51 0.00 -1.51 0.00 0.00 177.10 176.10 2vn3 n ALA 86 N -1.62 2.52 -2.69 0.60 0.00 -1.26 -4.72 120.51 113.34 2vn3 n ALA 86 Ca -0.01 -0.60 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 2vn3 n ALA 86 Cb 0.55 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 2vn3 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2vn3 s MET 87 N -3.31 2.47 0.68 0.00 -1.94 -1.26 -4.90 119.30 111.04 2vn3 s MET 87 Ca -0.07 -1.15 -0.11 0.00 -1.71 0.00 0.00 55.69 52.65 2vn3 s MET 87 Cb 0.12 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.60 2vn3 s MET 87 CO 0.88 0.43 1.06 -1.25 -0.01 0.00 0.00 175.02 176.13 2vn3 s PRO 88 N -3.20 3.02 0.21 2.03 0.04 -1.26 -3.93 135.00 131.91 2vn3 s PRO 88 Ca 0.29 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 2vn3 s PRO 88 Cb -0.09 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2vn3 s PRO 88 CO 0.20 -1.03 0.45 -1.01 0.04 0.00 0.00 177.00 175.64 2vn3 s HIS 89 N -3.03 0.18 0.00 0.56 3.76 -1.05 -4.92 115.29 110.78 2vn3 s HIS 89 Ca 0.58 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2vn3 s HIS 89 Cb -0.14 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2vn3 s HIS 89 CO 0.54 -0.90 0.00 0.27 -0.85 0.00 0.00 174.74 173.80 2vn3 n ASN 90 N -0.32 0.00 -3.77 1.40 0.23 -1.26 0.67 115.26 112.21 2vn3 n ASN 90 Ca -0.06 -0.28 -0.13 0.00 -0.53 0.00 0.00 54.58 53.58 2vn3 n ASN 90 Cb 0.62 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.20 2vn3 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2vn3 s VAL 91 N -2.56 -0.02 -0.26 3.53 0.11 -1.26 -4.22 120.40 115.73 2vn3 s VAL 91 Ca 0.00 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2vn3 s VAL 91 Cb 0.00 -0.33 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 2vn3 s VAL 91 CO 0.00 0.03 -0.11 -0.62 -3.33 0.00 0.00 175.10 171.07 2vn3 s ASP 92 N 0.61 4.42 -0.32 3.54 -1.08 0.19 -0.25 116.67 123.77 2vn3 s ASP 92 Ca -0.04 -1.37 -0.18 0.00 -0.52 0.00 0.00 52.55 50.44 2vn3 s ASP 92 Cb -0.06 -1.55 -0.01 0.00 -1.46 0.00 0.00 42.92 39.84 2vn3 s ASP 92 CO -0.03 -0.19 0.53 -0.36 0.52 0.00 0.00 175.17 175.64 2vn3 s PHE 93 N 1.11 3.20 -0.07 -5.34 0.40 -0.25 -0.40 117.98 116.64 2vn3 s PHE 93 Ca -0.08 0.35 0.30 0.00 -0.60 0.00 0.00 56.93 56.89 2vn3 s PHE 93 Cb -0.20 -2.89 1.37 0.00 0.51 0.00 0.00 43.02 41.81 2vn3 s PHE 93 CO -0.05 -0.47 1.89 0.45 0.70 0.00 0.00 175.22 177.74 2vn3 h HIS 94 N 8.33 0.00 0.00 0.36 3.86 -1.33 -2.61 115.15 123.75 2vn3 h HIS 94 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2vn3 h HIS 94 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2vn3 h HIS 94 CO 0.74 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.94 2vn3 n GLY 95 N -0.44 -1.14 3.69 2.45 0.00 -1.26 -4.90 105.19 103.60 2vn3 n GLY 95 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2vn3 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 s ALA 96 N -2.74 3.27 -0.17 4.61 0.00 -0.98 -4.59 121.76 121.17 2vn3 s ALA 96 Ca 0.18 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2vn3 s ALA 96 Cb 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2vn3 s ALA 96 CO 0.37 0.26 -0.17 0.99 0.00 0.00 0.00 175.76 177.22 2vn3 s THR 97 N -2.27 1.81 0.00 0.00 2.01 -1.26 -4.71 115.64 111.22 2vn3 s THR 97 Ca 0.32 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2vn3 s THR 97 Cb -0.07 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.77 2vn3 s THR 97 CO 0.21 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 2vn3 n GLY 98 N 4.69 2.22 3.59 4.40 0.00 -1.26 -4.96 105.19 113.88 2vn3 n GLY 98 Ca -0.19 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 2vn3 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 n ALA 99 N 0.45 -1.11 -3.47 4.61 0.00 -1.26 -1.34 120.51 118.39 2vn3 n ALA 99 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2vn3 n ALA 99 Cb 0.00 -2.54 0.09 0.00 0.00 0.00 0.00 19.45 17.00 2vn3 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2vn3 n LEU 100 N -3.72 -3.90 0.00 0.00 4.77 -1.26 -1.76 117.00 111.13 2vn3 n LEU 100 Ca 0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2vn3 n LEU 100 Cb 0.51 -3.09 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 2vn3 n LEU 100 CO 0.58 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2vn3 n GLY 101 N -1.26 1.08 0.00 -0.72 0.00 -0.45 -2.55 105.19 101.29 2vn3 n GLY 101 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2vn3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn3 n GLY 102 N -2.00 0.85 0.26 -0.02 0.00 -0.72 -1.09 105.19 102.47 2vn3 n GLY 102 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2vn3 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 h ALA 103 N 0.00 0.92 0.00 4.61 0.00 -0.33 -2.24 119.26 122.22 2vn3 h ALA 103 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2vn3 h ALA 103 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vn3 h ALA 103 CO 0.00 -0.24 -0.07 0.87 0.00 0.00 0.00 179.25 179.81 2vn3 h LYS 104 N 0.38 0.00 -0.20 0.00 1.57 -1.77 -2.89 116.57 113.66 2vn3 h LYS 104 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2vn3 h LYS 104 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2vn3 h LYS 104 CO -0.40 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 179.83 2vn3 n LEU 105 N -4.33 3.10 -0.18 2.94 4.77 -0.87 -4.41 117.00 118.02 2vn3 n LEU 105 Ca -0.03 -1.19 0.03 0.00 -0.03 0.00 0.00 56.01 54.80 2vn3 n LEU 105 Cb 0.15 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2vn3 n LEU 105 CO 0.34 0.59 0.40 0.35 -1.33 0.00 0.00 177.39 177.74 2vn3 n THR 106 N 1.33 0.79 -1.68 -5.08 -2.24 -1.04 -4.80 114.28 101.57 2vn3 n THR 106 Ca 0.17 -0.91 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 2vn3 n THR 106 Cb 0.58 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 2vn3 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2vn3 s ASN 107 N -1.43 5.24 -0.28 3.42 0.01 -1.22 -4.10 114.94 116.59 2vn3 s ASN 107 Ca 0.10 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 53.78 2vn3 s ASN 107 Cb 0.09 -2.51 0.07 0.00 0.41 0.00 0.00 41.25 39.31 2vn3 s ASN 107 CO 0.01 -2.19 -0.04 0.68 -1.51 0.00 0.00 177.10 174.05 2vn3 s VAL 108 N 9.18 2.00 0.87 1.60 -7.23 0.21 -4.95 120.40 122.08 2vn3 s VAL 108 Ca 0.95 -1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 2vn3 s VAL 108 Cb -0.26 -2.27 0.12 0.00 0.56 0.00 0.00 36.38 34.53 2vn3 s VAL 108 CO 0.32 -0.26 1.13 0.20 -0.31 0.00 0.00 175.10 176.18 2vn3 s ASN 109 N 1.13 3.36 0.35 4.85 0.02 -1.26 -2.54 114.94 120.84 2vn3 s ASN 109 Ca -0.01 2.10 -0.28 0.00 -1.02 0.00 0.00 52.86 53.65 2vn3 s ASN 109 Cb -0.19 -2.56 -0.12 0.00 0.02 0.00 0.00 41.25 38.40 2vn3 s ASN 109 CO -0.07 -2.81 1.42 -2.65 0.02 0.00 0.00 177.10 173.01 2vn3 n PRO 110 N -4.01 2.43 -0.04 -0.60 -0.02 -1.25 -1.33 135.00 130.18 2vn3 n PRO 110 Ca 0.11 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2vn3 n PRO 110 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2vn3 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vn3 n GLY 111 N 0.88 1.14 3.82 -1.23 0.00 0.16 -4.61 105.19 105.35 2vn3 n GLY 111 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2vn3 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vn3 s GLU 112 N -0.61 2.38 0.00 1.61 2.02 -0.44 -4.82 118.70 118.85 2vn3 s GLU 112 Ca 0.00 -1.70 -0.20 0.00 0.02 0.00 0.00 54.97 53.08 2vn3 s GLU 112 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.08 2vn3 s GLU 112 CO 0.00 -0.20 0.45 1.14 0.02 0.00 0.00 175.26 176.67 2vn3 s GLN 113 N -4.05 0.88 0.11 1.61 -2.07 -1.26 -0.41 119.66 114.46 2vn3 s GLN 113 Ca 0.44 -0.14 -0.02 0.00 -1.82 0.00 0.00 55.36 53.82 2vn3 s GLN 113 Cb -0.00 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 2vn3 s GLN 113 CO 0.25 -0.28 0.06 0.00 -1.32 0.00 0.00 175.29 174.00 2vn3 s ALA 114 N -1.75 0.61 -0.11 2.60 0.00 -0.12 -4.97 121.76 118.02 2vn3 s ALA 114 Ca -0.10 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2vn3 s ALA 114 Cb -0.02 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2vn3 s ALA 114 CO 0.03 -0.47 -0.11 0.99 0.00 0.00 0.00 175.76 176.20 2vn3 s THR 115 N -3.99 1.22 -0.00 0.00 2.01 -1.26 0.02 115.64 113.63 2vn3 s THR 115 Ca 0.17 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.77 2vn3 s THR 115 Cb 0.07 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2vn3 s THR 115 CO -0.03 0.39 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.96 2vn3 s LEU 116 N 1.30 2.94 -0.02 4.42 2.96 0.32 -4.96 118.68 125.65 2vn3 s LEU 116 Ca -0.02 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2vn3 s LEU 116 Cb -0.14 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2vn3 s LEU 116 CO -0.05 0.29 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.49 2vn3 s ARG 117 N -1.24 1.57 0.05 1.98 3.52 -1.26 -0.41 118.95 123.16 2vn3 s ARG 117 Ca 0.15 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2vn3 s ARG 117 Cb -0.11 -1.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.78 2vn3 s ARG 117 CO 0.05 0.37 0.05 -0.59 -0.81 0.00 0.00 175.30 174.36 2vn3 s PHE 118 N -0.33 0.33 -0.08 5.12 -0.71 -0.71 -4.99 117.98 116.61 2vn3 s PHE 118 Ca 0.05 -0.75 -0.26 0.00 -1.04 0.00 0.00 56.93 54.93 2vn3 s PHE 118 Cb -0.08 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.47 2vn3 s PHE 118 CO -0.00 -0.38 0.85 0.21 -1.34 0.00 0.00 175.22 174.55 2vn3 s LYS 119 N -3.20 4.43 -1.26 1.99 2.20 -1.26 -0.45 119.74 122.19 2vn3 s LYS 119 Ca 0.00 1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 56.61 2vn3 s LYS 119 Cb 0.03 -3.49 0.15 0.00 -1.51 0.00 0.00 37.83 33.01 2vn3 s LYS 119 CO -0.07 -0.11 1.65 0.00 -0.36 0.00 0.00 175.35 176.46 2vn3 n ALA 120 N 4.31 4.44 1.35 3.13 0.00 -0.45 -4.72 120.51 128.58 2vn3 n ALA 120 Ca 0.03 -4.22 0.11 0.00 0.00 0.00 0.00 53.44 49.37 2vn3 n ALA 120 Cb 0.50 -3.10 0.44 0.00 0.00 0.00 0.00 19.45 17.29 2vn3 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2vn3 n ASP 121 N 5.29 1.50 -3.85 0.00 5.75 -1.26 -1.43 116.55 122.54 2vn3 n ASP 121 Ca 0.40 -1.62 -0.21 0.00 -0.01 0.00 0.00 54.79 53.34 2vn3 n ASP 121 Cb 0.41 -0.07 -0.17 0.00 -1.03 0.00 0.00 41.12 40.26 2vn3 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2vn3 s ARG 122 N -1.86 0.76 0.46 0.11 0.52 -1.26 -4.77 118.95 112.91 2vn3 s ARG 122 Ca 0.34 -0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.33 2vn3 s ARG 122 Cb 0.18 -0.88 -0.09 0.00 0.52 0.00 0.00 34.95 34.67 2vn3 s ARG 122 CO 0.28 -0.16 0.94 -1.54 0.02 0.00 0.00 175.30 174.84 2vn3 s SER 123 N 1.27 6.78 0.00 0.23 1.04 -1.26 -4.77 113.70 116.99 2vn3 s SER 123 Ca -0.06 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2vn3 s SER 123 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2vn3 s SER 123 CO -0.02 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2vn3 n GLY 124 N -1.03 3.30 3.74 7.32 0.00 0.18 -3.39 105.19 115.31 2vn3 n GLY 124 Ca 0.06 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 2vn3 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vn3 s THR 125 N -2.00 4.74 -0.02 2.61 -4.23 0.09 -0.41 115.64 116.41 2vn3 s THR 125 Ca 0.00 1.64 0.02 0.00 -1.18 0.00 0.00 61.69 62.17 2vn3 s THR 125 Cb 0.00 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.72 2vn3 s THR 125 CO 0.00 0.36 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.01 2vn3 s PHE 126 N -0.01 0.71 0.43 3.99 0.40 0.11 -4.39 117.98 119.22 2vn3 s PHE 126 Ca 0.39 -0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.32 2vn3 s PHE 126 Cb -0.20 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.72 2vn3 s PHE 126 CO 0.23 -0.08 1.17 0.08 0.70 0.00 0.00 175.22 177.32 2vn3 s VAL 127 N 0.22 3.13 0.10 -0.44 1.01 -1.26 0.32 120.40 123.48 2vn3 s VAL 127 Ca -0.03 0.90 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2vn3 s VAL 127 Cb -0.07 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2vn3 s VAL 127 CO 0.00 0.03 -0.24 -0.72 0.00 0.00 0.00 175.10 174.18 2vn3 s TYR 128 N -1.49 2.05 0.13 5.22 -0.85 0.38 -0.93 117.35 121.85 2vn3 s TYR 128 Ca 0.60 -0.40 -0.20 0.00 -0.52 0.00 0.00 57.07 56.56 2vn3 s TYR 128 Cb -0.29 -1.14 0.05 0.00 0.38 0.00 0.00 41.96 40.96 2vn3 s TYR 128 CO 0.36 0.23 0.51 -3.38 -1.52 0.00 0.00 175.55 171.75 2vn3 s HIS 129 N -1.04 -0.39 0.28 -3.49 -3.43 0.47 -0.64 115.29 107.05 2vn3 s HIS 129 Ca 0.10 0.18 -0.29 0.00 -0.80 0.00 0.00 55.06 54.24 2vn3 s HIS 129 Cb -0.10 0.40 -0.10 0.00 -1.43 0.00 0.00 32.58 31.36 2vn3 s HIS 129 CO 0.04 -0.75 1.10 0.00 -2.00 0.00 0.00 174.74 173.13 2vn3 n ALA 131 N 1.22 2.14 -2.59 0.00 0.00 -1.26 -4.44 120.51 115.58 2vn3 n ALA 131 Ca -0.01 -3.31 -0.42 0.00 0.00 0.00 0.00 53.44 49.70 2vn3 n ALA 131 Cb 0.45 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2vn3 n ALA 131 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vn3 s PRO 132 N -1.45 4.57 0.08 0.00 0.05 -1.26 -4.89 135.00 132.10 2vn3 s PRO 132 Ca 0.36 1.47 -0.36 0.00 0.05 0.00 0.00 61.00 62.52 2vn3 s PRO 132 Cb 0.22 -3.43 -0.16 0.00 0.05 0.00 0.00 34.50 31.19 2vn3 s PRO 132 CO -0.11 -0.03 1.46 -1.91 0.05 0.00 0.00 177.00 176.47 2vn3 n GLU 133 N 3.68 1.49 -0.62 4.56 2.13 -1.26 -1.14 120.64 129.48 2vn3 n GLU 133 Ca 0.06 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2vn3 n GLU 133 Cb 0.50 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 29.98 2vn3 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vn3 n GLY 134 N 2.98 0.87 0.92 8.31 0.00 -1.26 -4.84 105.19 112.17 2vn3 n GLY 134 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2vn3 n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vn3 n MET 135 N -2.00 0.00 0.11 1.61 2.81 -0.29 -4.98 117.12 114.38 2vn3 n MET 135 Ca 0.00 -1.17 -0.12 0.00 -1.81 0.00 0.00 57.70 54.59 2vn3 n MET 135 Cb 0.00 -0.08 -0.08 0.00 -0.71 0.00 0.00 33.22 32.35 2vn3 n MET 135 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2vn3 h VAL 136 N 6.33 0.76 -0.67 2.03 2.07 -1.86 -3.11 116.25 121.81 2vn3 h VAL 136 Ca -0.17 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2vn3 h VAL 136 Cb 1.51 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 2vn3 h VAL 136 CO -0.02 0.16 0.39 -0.65 0.02 0.00 0.00 177.57 177.48 2vn3 h PRO 137 N -0.79 0.91 -0.51 1.57 0.11 -1.92 -2.48 132.00 128.88 2vn3 h PRO 137 Ca -0.03 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.01 2vn3 h PRO 137 Cb 0.51 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 2vn3 h PRO 137 CO 0.05 0.64 0.33 2.35 -0.21 0.00 0.00 178.00 181.17 2vn3 h TRP 138 N 0.92 0.63 -0.42 0.65 7.01 -1.96 0.93 115.95 123.71 2vn3 h TRP 138 Ca 0.24 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.10 2vn3 h TRP 138 Cb -0.02 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2vn3 h TRP 138 CO 0.00 0.39 -0.33 0.45 -2.79 0.00 0.00 178.44 176.16 2vn3 h HIS 139 N 0.68 1.13 0.33 2.65 3.86 -1.41 -1.82 115.15 120.58 2vn3 h HIS 139 Ca 0.19 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 2vn3 h HIS 139 Cb -0.06 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.17 2vn3 h HIS 139 CO -0.04 1.15 -0.16 0.28 0.86 0.00 0.00 177.93 180.02 2vn3 h VAL 140 N 0.80 0.69 0.00 2.45 2.07 -1.17 -1.96 116.25 119.13 2vn3 h VAL 140 Ca 0.08 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2vn3 h VAL 140 Cb 0.92 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2vn3 h VAL 140 CO 0.09 0.07 -0.03 -0.37 0.02 0.00 0.00 177.57 177.34 2vn3 h VAL 141 N -0.64 0.10 -0.00 2.57 -1.51 -0.80 -2.12 116.25 113.84 2vn3 h VAL 141 Ca -0.05 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2vn3 h VAL 141 Cb 0.46 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2vn3 h VAL 141 CO 0.07 0.03 -0.01 -1.20 -1.23 0.00 0.00 177.57 175.24 2vn3 n SER 142 N -3.16 0.43 0.00 4.19 7.64 -0.69 -4.77 113.62 117.26 2vn3 n SER 142 Ca -0.00 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2vn3 n SER 142 Cb 0.29 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2vn3 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vn3 n GLY 143 N 1.09 0.54 3.11 0.23 0.00 -0.81 -1.13 105.19 108.21 2vn3 n GLY 143 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2vn3 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vn3 n MET 144 N 0.00 3.33 -3.75 1.61 2.81 -0.74 -4.55 117.12 115.83 2vn3 n MET 144 Ca 0.00 -3.39 -0.10 0.00 -1.81 0.00 0.00 57.70 52.40 2vn3 n MET 144 Cb 0.00 -3.12 -0.04 0.00 -0.71 0.00 0.00 33.22 29.35 2vn3 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2vn3 s SER 145 N 2.38 -0.23 0.00 7.83 1.04 -1.26 -2.06 113.70 121.40 2vn3 s SER 145 Ca 0.44 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2vn3 s SER 145 Cb 0.06 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2vn3 s SER 145 CO -0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2vn3 n GLY 146 N -0.32 1.41 3.20 7.32 0.00 0.19 -0.38 105.19 116.61 2vn3 n GLY 146 Ca -0.10 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 2vn3 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn3 s THR 147 N -2.48 1.56 -0.24 2.61 2.01 -1.26 -0.47 115.64 117.37 2vn3 s THR 147 Ca 0.00 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 2vn3 s THR 147 Cb 0.00 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2vn3 s THR 147 CO 0.00 0.44 0.01 -0.22 -0.69 0.00 0.00 174.62 174.16 2vn3 s LEU 148 N -0.42 3.24 -0.26 4.42 2.96 0.15 -1.52 118.68 127.25 2vn3 s LEU 148 Ca 0.07 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 2vn3 s LEU 148 Cb -0.08 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2vn3 s LEU 148 CO -0.00 -0.07 0.18 -0.32 -1.32 0.00 0.00 176.35 174.82 2vn3 s MET 149 N 1.51 4.02 -0.36 1.98 -2.45 0.64 0.09 119.30 124.72 2vn3 s MET 149 Ca 0.05 -0.28 -0.01 0.00 -1.25 0.00 0.00 55.69 54.20 2vn3 s MET 149 Cb -0.15 -3.59 0.09 0.00 1.25 0.00 0.00 34.83 32.43 2vn3 s MET 149 CO -0.01 -0.05 0.11 0.08 1.05 0.00 0.00 175.02 176.21 2vn3 s VAL 150 N 1.37 3.00 0.32 10.11 1.01 0.45 -1.27 120.40 135.40 2vn3 s VAL 150 Ca 0.08 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 2vn3 s VAL 150 Cb -0.15 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 2vn3 s VAL 150 CO 0.07 -0.49 0.88 -0.76 0.00 0.00 0.00 175.10 174.80 2vn3 s LEU 151 N 1.13 4.23 0.66 3.92 1.43 -0.56 -0.64 118.68 128.85 2vn3 s LEU 151 Ca 0.04 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 2vn3 s LEU 151 Cb -0.21 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 41.96 2vn3 s LEU 151 CO -0.04 -0.12 1.24 -2.84 0.23 0.00 0.00 176.35 174.82 2vn3 s PRO 152 N -2.37 2.54 0.29 1.29 0.02 -1.26 -0.94 135.00 134.57 2vn3 s PRO 152 Ca 0.52 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 2vn3 s PRO 152 Cb -0.15 -1.87 0.46 0.00 0.02 0.00 0.00 34.50 32.96 2vn3 s PRO 152 CO 0.20 -1.56 1.93 -0.09 -0.33 0.00 0.00 177.00 177.16 2vn3 h ARG 153 N 0.37 1.08 -0.82 5.54 2.43 -1.89 0.67 114.38 121.75 2vn3 h ARG 153 Ca -0.50 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.52 2vn3 h ARG 153 Cb 1.31 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 2vn3 h ARG 153 CO 0.53 0.71 0.11 -3.47 -1.51 0.00 0.00 179.97 176.33 2vn3 n ASP 154 N -4.45 3.75 -0.94 -3.80 2.03 -1.26 -0.64 116.55 111.24 2vn3 n ASP 154 Ca 0.12 -2.67 0.08 0.00 0.52 0.00 0.00 54.79 52.84 2vn3 n ASP 154 Cb 0.12 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 2vn3 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vn3 n GLY 155 N 0.14 -1.59 3.77 0.27 0.00 0.22 -4.52 105.19 103.48 2vn3 n GLY 155 Ca 0.22 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 2vn3 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vn3 s LEU 156 N 0.00 3.58 0.00 0.99 1.02 -1.26 -4.51 118.68 118.50 2vn3 s LEU 156 Ca 0.00 2.12 -0.01 0.00 0.02 0.00 0.00 54.13 56.26 2vn3 s LEU 156 Cb 0.00 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.63 2vn3 s LEU 156 CO 0.00 -1.45 0.00 -0.54 0.02 0.00 0.00 176.35 174.39 2vn3 s LYS 157 N -3.65 0.16 0.82 1.70 -0.14 -1.26 -1.50 119.74 115.86 2vn3 s LYS 157 Ca 0.71 -0.25 -0.10 0.00 -1.36 0.00 0.00 55.97 54.97 2vn3 s LYS 157 Cb -0.23 0.06 0.13 0.00 -1.68 0.00 0.00 37.83 36.10 2vn3 s LYS 157 CO 0.34 -0.03 1.16 0.16 -0.76 0.00 0.00 175.35 176.22 2vn3 s ASP 158 N -0.64 4.06 0.63 2.83 -4.77 -0.09 -4.67 116.67 114.02 2vn3 s ASP 158 Ca -0.07 0.33 0.40 0.00 -3.30 0.00 0.00 52.55 49.91 2vn3 s ASP 158 Cb -0.04 -0.69 2.10 0.00 -1.09 0.00 0.00 42.92 43.20 2vn3 s ASP 158 CO -0.00 -2.11 2.27 -0.65 0.70 0.00 0.00 175.17 175.37 2vn3 h PRO 159 N -1.06 0.00 -0.00 2.11 0.11 -1.90 -0.43 132.00 130.83 2vn3 h PRO 159 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2vn3 h PRO 159 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2vn3 h PRO 159 CO 0.50 0.01 -0.46 1.04 -0.21 0.00 0.00 178.00 178.89 2vn3 n GLN 160 N -3.20 0.49 -0.02 1.05 3.00 -1.26 -4.95 117.38 112.48 2vn3 n GLN 160 Ca -0.02 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2vn3 n GLN 160 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2vn3 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vn3 n GLY 161 N 1.42 0.42 3.77 1.08 0.00 -0.17 -5.07 105.19 106.64 2vn3 n GLY 161 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2vn3 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vn3 s LYS 162 N -0.97 3.71 0.56 1.61 1.02 -1.26 -4.71 119.74 119.70 2vn3 s LYS 162 Ca 0.00 1.80 -0.20 0.00 0.02 0.00 0.00 55.97 57.59 2vn3 s LYS 162 Cb 0.00 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2vn3 s LYS 162 CO 0.00 -0.60 1.21 -1.25 -0.92 0.00 0.00 175.35 173.78 2vn3 s PRO 163 N -2.73 3.15 0.09 -1.68 0.04 -1.26 -0.91 135.00 131.70 2vn3 s PRO 163 Ca 0.64 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.55 2vn3 s PRO 163 Cb -0.29 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2vn3 s PRO 163 CO 0.35 -1.06 -0.09 -0.51 0.04 0.00 0.00 177.00 175.72 2vn3 s LEU 164 N -3.84 2.41 0.15 -3.56 1.43 -0.56 -4.73 118.68 109.98 2vn3 s LEU 164 Ca 0.74 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2vn3 s LEU 164 Cb -0.30 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.66 2vn3 s LEU 164 CO 0.34 -0.29 0.34 -1.38 0.23 0.00 0.00 176.35 175.59 2vn3 s HIS 165 N -2.55 0.13 0.15 0.29 -3.43 -1.26 -4.09 115.29 104.52 2vn3 s HIS 165 Ca 0.05 -0.49 0.08 0.00 -0.80 0.00 0.00 55.06 53.91 2vn3 s HIS 165 Cb -0.02 0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2vn3 s HIS 165 CO -0.01 -0.72 -0.19 1.52 -2.00 0.00 0.00 174.74 173.34 2vn3 s TYR 166 N -3.90 1.80 -0.12 0.38 1.13 -1.26 -4.89 117.35 110.49 2vn3 s TYR 166 Ca 0.10 -0.46 0.20 0.00 -1.41 0.00 0.00 57.07 55.50 2vn3 s TYR 166 Cb 0.02 -0.92 -0.24 0.00 -1.10 0.00 0.00 41.96 39.72 2vn3 s TYR 166 CO -0.05 0.29 0.47 -0.25 -2.51 0.00 0.00 175.55 173.51 2vn3 n ASP 167 N 0.48 0.25 -3.73 -0.18 8.00 0.23 -4.94 116.55 116.67 2vn3 n ASP 167 Ca -0.15 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 2vn3 n ASP 167 Cb 0.56 1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 42.72 2vn3 n ASP 167 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2vn3 s ARG 168 N -3.07 0.26 -0.12 -1.24 6.06 -0.98 -5.02 118.95 114.83 2vn3 s ARG 168 Ca -0.07 0.56 -0.02 0.00 -2.50 0.00 0.00 55.73 53.71 2vn3 s ARG 168 Cb 0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 34.95 35.01 2vn3 s ARG 168 CO 0.86 -0.15 -0.05 0.00 -2.50 0.00 0.00 175.30 173.46 2vn3 s ALA 169 N 1.16 2.98 0.06 6.12 0.00 -1.26 -0.70 121.76 130.12 2vn3 s ALA 169 Ca -0.08 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2vn3 s ALA 169 Cb -0.09 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2vn3 s ALA 169 CO -0.08 0.36 -0.22 0.71 0.00 0.00 0.00 175.76 176.53 2vn3 s TYR 170 N -0.10 1.88 -0.14 0.00 2.02 0.46 -4.14 117.35 117.33 2vn3 s TYR 170 Ca 0.02 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2vn3 s TYR 170 Cb -0.13 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2vn3 s TYR 170 CO 0.03 0.13 -0.18 -0.08 -1.57 0.00 0.00 175.55 173.88 2vn3 s THR 171 N -0.88 1.78 -0.20 -0.71 -1.32 -0.17 -0.65 115.64 113.49 2vn3 s THR 171 Ca 0.08 -0.80 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 2vn3 s THR 171 Cb -0.09 -1.61 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 2vn3 s THR 171 CO 0.02 0.50 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.16 2vn3 s ILE 172 N 1.07 1.86 -0.19 5.08 1.09 0.72 -4.39 121.20 126.44 2vn3 s ILE 172 Ca -0.03 -1.05 -0.12 0.00 -1.10 0.00 0.00 60.65 58.35 2vn3 s ILE 172 Cb -0.14 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.38 2vn3 s ILE 172 CO -0.05 0.30 0.22 -0.83 -0.10 0.00 0.00 174.94 174.48 2vn3 s GLY 173 N 1.32 2.10 -0.12 6.18 0.00 -1.26 -1.00 107.32 114.55 2vn3 s GLY 173 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 2vn3 s GLY 173 CO -0.10 0.36 0.07 1.85 0.00 0.00 0.00 173.10 175.28 2vn3 s GLU 174 N 0.61 3.36 -0.21 2.90 2.12 -0.04 -1.09 118.70 126.34 2vn3 s GLU 174 Ca 0.12 -0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 2vn3 s GLU 174 Cb -0.12 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.29 2vn3 s GLU 174 CO 0.02 0.66 0.02 -0.06 -0.54 0.00 0.00 175.26 175.36 2vn3 s PHE 175 N -0.71 1.42 -0.24 5.30 0.08 -0.18 -4.53 117.98 119.12 2vn3 s PHE 175 Ca 0.12 -1.15 -0.29 0.00 0.12 0.00 0.00 56.93 55.73 2vn3 s PHE 175 Cb -0.12 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2vn3 s PHE 175 CO 0.03 -0.67 1.17 0.16 -0.10 0.00 0.00 175.22 175.80 2vn3 s ASP 176 N 1.72 6.94 0.02 1.36 -4.77 -1.26 -1.34 116.67 119.34 2vn3 s ASP 176 Ca -0.01 1.38 0.04 0.00 -3.30 0.00 0.00 52.55 50.66 2vn3 s ASP 176 Cb -0.18 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.08 2vn3 s ASP 176 CO -0.09 -0.82 -0.09 -0.76 0.70 0.00 0.00 175.17 174.11 2vn3 s LEU 177 N 3.61 3.05 -0.63 2.11 1.43 0.13 -4.86 118.68 123.53 2vn3 s LEU 177 Ca 0.50 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2vn3 s LEU 177 Cb -0.17 -1.77 0.19 0.00 0.03 0.00 0.00 46.19 44.47 2vn3 s LEU 177 CO 0.14 0.26 0.53 -1.22 0.23 0.00 0.00 176.35 176.29 2vn3 n TYR 178 N 1.45 2.51 -3.07 0.29 4.02 -1.26 0.27 117.16 121.37 2vn3 n TYR 178 Ca -0.15 -4.09 -0.41 0.00 -0.01 0.00 0.00 57.90 53.25 2vn3 n TYR 178 Cb 0.52 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 2vn3 n TYR 178 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2vn3 s ILE 179 N -1.46 4.97 0.64 -0.72 -1.09 -1.26 -4.72 121.20 117.57 2vn3 s ILE 179 Ca 0.30 1.24 -0.16 0.00 -2.23 0.00 0.00 60.65 59.81 2vn3 s ILE 179 Cb 0.03 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2vn3 s ILE 179 CO -0.14 0.04 1.13 -2.84 -1.23 0.00 0.00 174.94 171.91 2vn3 s PRO 180 N 2.32 2.83 0.10 2.79 0.02 -1.26 -4.82 135.00 136.98 2vn3 s PRO 180 Ca 0.29 1.50 0.09 0.00 0.02 0.00 0.00 61.00 62.90 2vn3 s PRO 180 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2vn3 s PRO 180 CO 0.09 -1.25 -0.22 0.15 -0.33 0.00 0.00 177.00 175.45 2vn3 s LYS 181 N -3.88 1.73 0.79 5.54 1.02 -1.26 -0.58 119.74 123.10 2vn3 s LYS 181 Ca 0.69 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 2vn3 s LYS 181 Cb -0.23 -2.05 0.12 0.00 -0.52 0.00 0.00 37.83 35.15 2vn3 s LYS 181 CO 0.39 0.49 1.11 0.20 -0.92 0.00 0.00 175.35 176.61 2vn3 s GLY 182 N -1.88 1.73 0.47 -3.33 0.00 0.13 -4.85 107.32 99.59 2vn3 s GLY 182 Ca 0.15 -1.19 0.18 0.00 0.00 0.00 0.00 44.72 43.87 2vn3 s GLY 182 CO 0.07 -0.63 1.99 -2.55 0.00 0.00 0.00 173.10 171.98 2vn3 h PRO 183 N -0.92 0.23 0.00 2.90 0.11 -2.02 0.52 132.00 132.83 2vn3 h PRO 183 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2vn3 h PRO 183 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2vn3 h PRO 183 CO 0.49 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2vn3 n ASP 184 N -4.45 0.00 -0.61 -2.05 5.68 -1.26 -4.88 116.55 108.98 2vn3 n ASP 184 Ca 0.09 0.10 -0.08 0.00 -0.50 0.00 0.00 54.79 54.40 2vn3 n ASP 184 Cb 0.45 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 2vn3 n ASP 184 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vn3 n GLY 185 N 0.01 0.99 3.92 6.12 0.00 0.18 -5.03 105.19 111.38 2vn3 n GLY 185 Ca 0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 2vn3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vn3 s LYS 186 N -2.56 3.52 0.47 1.61 3.01 -1.26 -4.80 119.74 119.73 2vn3 s LYS 186 Ca 0.00 -0.32 -0.24 0.00 -1.01 0.00 0.00 55.97 54.40 2vn3 s LYS 186 Cb 0.00 -2.93 -0.07 0.00 -1.01 0.00 0.00 37.83 33.82 2vn3 s LYS 186 CO 0.00 0.51 1.36 0.71 0.51 0.00 0.00 175.35 178.44 2vn3 s TYR 187 N -1.66 2.50 0.12 3.18 2.02 -1.26 0.18 117.35 122.43 2vn3 s TYR 187 Ca 0.38 1.35 -0.25 0.00 -0.37 0.00 0.00 57.07 58.17 2vn3 s TYR 187 Cb -0.12 -3.79 -0.07 0.00 -0.40 0.00 0.00 41.96 37.58 2vn3 s TYR 187 CO 0.27 -2.65 0.77 0.15 -1.57 0.00 0.00 175.55 172.52 2vn3 s LYS 188 N -2.58 4.54 -0.12 -0.62 1.02 0.25 -4.76 119.74 117.47 2vn3 s LYS 188 Ca 0.64 1.13 -0.05 0.00 0.02 0.00 0.00 55.97 57.70 2vn3 s LYS 188 Cb -0.40 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 2vn3 s LYS 188 CO 0.50 0.45 0.06 0.34 -0.92 0.00 0.00 175.35 175.78 2vn3 s ASP 189 N -0.69 5.65 -0.05 2.83 -1.08 -1.26 -4.76 116.67 117.30 2vn3 s ASP 189 Ca 0.37 0.21 0.06 0.00 -0.52 0.00 0.00 52.55 52.66 2vn3 s ASP 189 Cb -0.22 -1.79 -0.01 0.00 -1.46 0.00 0.00 42.92 39.45 2vn3 s ASP 189 CO 0.25 0.32 -0.23 -0.31 0.52 0.00 0.00 175.17 175.73 2vn3 s TYR 190 N -0.53 2.21 0.17 -5.34 2.02 -1.26 -5.02 117.35 109.59 2vn3 s TYR 190 Ca 0.10 -0.65 -0.10 0.00 -0.37 0.00 0.00 57.07 56.05 2vn3 s TYR 190 Cb -0.12 -1.46 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2vn3 s TYR 190 CO 0.02 -0.20 1.56 0.00 -1.57 0.00 0.00 175.55 175.36 2vn3 h ALA 191 N 6.12 0.71 -2.10 3.71 0.00 -1.99 -3.45 119.26 122.26 2vn3 h ALA 191 Ca -0.32 -0.39 -0.52 0.00 0.00 0.00 0.00 54.91 53.68 2vn3 h ALA 191 Cb 1.18 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2vn3 h ALA 191 CO 0.47 0.67 -0.70 0.95 0.00 0.00 0.00 179.25 180.65 2vn3 s THR 192 N -4.69 1.87 0.08 0.00 -4.23 -1.26 -5.05 115.64 102.35 2vn3 s THR 192 Ca -0.11 -2.19 -0.23 0.00 -1.18 0.00 0.00 61.69 57.98 2vn3 s THR 192 Cb 0.12 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.45 2vn3 s THR 192 CO 0.87 -0.36 1.65 0.25 -0.54 0.00 0.00 174.62 176.50 2vn3 h LEU 193 N 2.29 0.07 -1.63 4.79 5.85 -1.94 -3.10 115.31 121.65 2vn3 h LEU 193 Ca -0.40 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.36 2vn3 h LEU 193 Cb 1.24 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2vn3 h LEU 193 CO 0.66 0.15 0.47 0.00 -0.34 0.00 0.00 178.44 179.38 2vn3 h ALA 194 N 0.92 2.12 0.00 1.25 0.00 -1.98 -1.64 119.26 119.93 2vn3 h ALA 194 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vn3 h ALA 194 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2vn3 h ALA 194 CO -0.00 -0.31 0.00 0.93 0.00 0.00 0.00 179.25 179.87 2vn3 h GLU 195 N 0.38 0.00 0.00 0.00 5.08 -1.96 -2.99 114.58 115.09 2vn3 h GLU 195 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2vn3 h GLU 195 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2vn3 h GLU 195 CO -0.10 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.57 2vn3 h SER 196 N 0.00 0.00 0.24 1.42 4.64 -1.34 -3.41 113.55 115.10 2vn3 h SER 196 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2vn3 h SER 196 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2vn3 h SER 196 CO 0.00 0.00 -0.28 0.22 -0.87 0.00 0.00 176.83 175.90 2vn3 h TYR 197 N 0.00 -0.79 -0.49 4.77 3.20 -1.62 -1.89 116.97 120.16 2vn3 h TYR 197 Ca 0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2vn3 h TYR 197 Cb 0.87 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 2vn3 h TYR 197 CO 0.00 -0.36 0.30 0.78 -1.64 0.00 0.00 178.16 177.24 2vn3 h GLY 198 N -0.53 0.69 0.98 1.82 0.00 -1.82 -0.89 103.07 103.33 2vn3 h GLY 198 Ca -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2vn3 h GLY 198 CO -0.06 0.20 0.21 -0.55 0.00 0.00 0.00 176.54 176.34 2vn3 h ASP 199 N 0.60 0.73 0.32 0.19 3.32 -1.84 -2.85 116.42 116.89 2vn3 h ASP 199 Ca 0.19 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2vn3 h ASP 199 Cb -0.00 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2vn3 h ASP 199 CO -0.08 0.70 -0.25 0.74 -1.72 0.00 0.00 179.24 178.63 2vn3 h THR 200 N 0.71 0.47 -0.93 0.35 2.02 -0.62 -2.11 112.91 112.80 2vn3 h THR 200 Ca 0.18 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.63 2vn3 h THR 200 Cb 0.20 0.47 -0.16 0.00 -1.74 0.00 0.00 68.15 66.92 2vn3 h THR 200 CO -0.01 0.00 0.28 0.58 0.37 0.00 0.00 175.52 176.74 2vn3 h VAL 201 N -0.58 0.21 -0.28 3.16 2.07 -1.18 0.11 116.25 119.76 2vn3 h VAL 201 Ca -0.02 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 2vn3 h VAL 201 Cb 0.51 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2vn3 h VAL 201 CO -0.01 0.03 -0.32 1.56 0.02 0.00 0.00 177.57 178.85 2vn3 h GLN 202 N 0.16 0.59 -0.22 1.57 4.20 -1.15 -1.30 115.11 118.96 2vn3 h GLN 202 Ca 0.63 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 59.01 2vn3 h GLN 202 Cb 1.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2vn3 h GLN 202 CO -0.72 0.84 -0.09 0.28 -0.67 0.00 0.00 178.83 178.47 2vn3 h VAL 203 N 0.50 1.30 -0.73 -0.54 2.07 -0.72 -3.15 116.25 114.98 2vn3 h VAL 203 Ca 0.06 -1.14 0.16 0.00 0.82 0.00 0.00 66.70 66.60 2vn3 h VAL 203 Cb 0.80 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.03 2vn3 h VAL 203 CO 0.07 0.35 0.13 0.24 0.02 0.00 0.00 177.57 178.37 2vn3 h MET 204 N 0.17 0.21 0.00 1.57 2.86 -0.53 -1.09 114.93 118.12 2vn3 h MET 204 Ca 0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2vn3 h MET 204 Cb 0.57 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 2vn3 h MET 204 CO 0.03 0.14 -0.05 0.00 1.06 0.00 0.00 176.91 178.08 2vn3 h ARG 205 N 0.21 0.00 0.00 1.72 3.08 -1.20 0.38 114.38 118.57 2vn3 h ARG 205 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2vn3 h ARG 205 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2vn3 h ARG 205 CO -0.55 0.05 0.00 0.25 -1.07 0.00 0.00 179.97 178.65 2vn3 n THR 206 N -3.36 0.62 -1.42 2.04 -2.24 -0.41 -4.89 114.28 104.62 2vn3 n THR 206 Ca -0.02 0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.77 2vn3 n THR 206 Cb 0.20 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 2vn3 n THR 206 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vn3 n LEU 207 N -1.47 -1.04 -4.17 3.22 4.77 0.13 -4.92 117.00 113.52 2vn3 n LEU 207 Ca 0.05 0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 2vn3 n LEU 207 Cb 0.22 -2.31 -0.13 0.00 -2.33 0.00 0.00 43.42 38.86 2vn3 n LEU 207 CO 0.18 -0.84 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.17 2vn3 s THR 208 N -2.26 3.02 0.44 -5.08 2.01 -1.26 -5.10 115.64 107.41 2vn3 s THR 208 Ca 0.00 -1.46 -0.24 0.00 0.31 0.00 0.00 61.69 60.30 2vn3 s THR 208 Cb 0.00 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.65 2vn3 s THR 208 CO 0.00 -0.17 1.21 -2.84 -0.69 0.00 0.00 174.62 172.13 2vn3 s PRO 209 N 1.24 3.83 0.16 4.92 0.02 -1.26 -4.85 135.00 139.06 2vn3 s PRO 209 Ca -0.04 1.91 0.08 0.00 0.02 0.00 0.00 61.00 62.98 2vn3 s PRO 209 Cb -0.20 -2.54 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 2vn3 s PRO 209 CO -0.01 -0.53 1.37 0.66 -0.33 0.00 0.00 177.00 178.16 2vn3 h SER 210 N 2.29 0.00 -4.52 2.53 4.64 -0.50 -3.47 113.55 114.52 2vn3 h SER 210 Ca -0.49 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 2vn3 h SER 210 Cb 1.25 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.12 2vn3 h SER 210 CO 0.61 0.89 -0.35 -1.00 -0.87 0.00 0.00 176.83 176.11 2vn3 s HIS 211 N -2.96 -0.20 -0.11 4.77 3.76 -1.04 -4.94 115.29 114.57 2vn3 s HIS 211 Ca 0.00 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 2vn3 s HIS 211 Cb 0.11 0.08 0.03 0.00 1.11 0.00 0.00 32.58 33.91 2vn3 s HIS 211 CO 0.80 -0.28 -0.03 0.42 -0.85 0.00 0.00 174.74 174.81 2vn3 s ILE 212 N -0.73 0.68 0.02 0.60 1.01 -0.33 0.22 121.20 122.66 2vn3 s ILE 212 Ca -0.08 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2vn3 s ILE 212 Cb -0.04 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 2vn3 s ILE 212 CO 0.02 0.23 -0.11 0.68 0.00 0.00 0.00 174.94 175.77 2vn3 s VAL 213 N 1.84 0.83 0.01 2.92 -7.23 -0.45 -0.25 120.40 118.08 2vn3 s VAL 213 Ca 0.04 -0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 59.22 2vn3 s VAL 213 Cb -0.13 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2vn3 s VAL 213 CO -0.07 0.04 0.84 -0.36 -0.31 0.00 0.00 175.10 175.24 2vn3 s PHE 214 N -0.62 3.69 -1.43 2.82 0.08 -1.26 -1.01 117.98 120.25 2vn3 s PHE 214 Ca 0.01 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 2vn3 s PHE 214 Cb -0.06 -2.94 0.08 0.00 -0.57 0.00 0.00 43.02 39.53 2vn3 s PHE 214 CO 0.00 0.14 0.67 0.09 -0.10 0.00 0.00 175.22 176.02 2vn3 n ASN 215 N 3.36 -4.26 0.00 1.36 4.13 -0.25 -2.95 115.26 116.65 2vn3 n ASN 215 Ca 0.01 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.72 2vn3 n ASN 215 Cb 0.51 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 2vn3 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vn3 n GLY 216 N -1.37 2.97 3.31 7.41 0.00 -1.21 -4.71 105.19 111.59 2vn3 n GLY 216 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2vn3 n GLY 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vn3 s LYS 217 N -0.96 0.69 0.22 1.61 2.20 -1.15 -4.62 119.74 117.71 2vn3 s LYS 217 Ca 0.00 0.12 -0.32 0.00 -0.36 0.00 0.00 55.97 55.41 2vn3 s LYS 217 Cb 0.00 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.51 2vn3 s LYS 217 CO 0.00 -0.17 1.55 0.28 -0.36 0.00 0.00 175.35 176.65 2vn3 n VAL 218 N 1.68 0.47 -0.97 4.02 0.31 0.42 -1.59 118.33 122.67 2vn3 n VAL 218 Ca -0.19 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2vn3 n VAL 218 Cb 0.56 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2vn3 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vn3 n GLY 219 N 2.89 0.58 0.38 2.92 0.00 -1.26 -4.81 105.19 105.89 2vn3 n GLY 219 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2vn3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 h ALA 220 N 0.00 1.95 -0.72 4.61 0.00 -1.52 -2.45 119.26 121.13 2vn3 h ALA 220 Ca 0.00 0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 2vn3 h ALA 220 Cb 0.10 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 2vn3 h ALA 220 CO 0.00 -0.19 -0.12 1.28 0.00 0.00 0.00 179.25 180.22 2vn3 n LEU 221 N -4.53 5.54 -4.50 0.00 4.77 -1.26 -4.73 117.00 112.29 2vn3 n LEU 221 Ca 0.17 -4.35 -0.23 0.00 -0.03 0.00 0.00 56.01 51.56 2vn3 n LEU 221 Cb 0.51 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2vn3 n LEU 221 CO 0.30 1.69 -0.28 0.42 -1.33 0.00 0.00 177.39 178.20 2vn3 s THR 222 N -4.29 1.43 0.00 -5.08 -4.23 -0.92 -0.70 115.64 101.84 2vn3 s THR 222 Ca 0.53 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2vn3 s THR 222 Cb 0.44 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2vn3 s THR 222 CO 0.01 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2vn3 n GLY 223 N -0.76 3.21 0.38 3.99 0.00 -1.26 -1.34 105.19 109.41 2vn3 n GLY 223 Ca -0.03 -0.19 0.21 0.00 0.00 0.00 0.00 46.02 46.01 2vn3 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 h ALA 224 N -0.87 2.34 -0.01 4.61 0.00 -1.97 -0.98 119.26 122.38 2vn3 h ALA 224 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vn3 h ALA 224 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2vn3 h ALA 224 CO 0.00 -0.65 -0.14 0.09 0.00 0.00 0.00 179.25 178.55 2vn3 n ASN 225 N -4.12 1.43 -4.41 0.00 3.02 -0.45 -4.95 115.26 105.77 2vn3 n ASN 225 Ca 0.09 -1.27 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 2vn3 n ASN 225 Cb 0.60 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.89 2vn3 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vn3 n ALA 226 N -0.12 -1.69 -1.72 5.41 0.00 -0.37 -4.27 120.51 117.76 2vn3 n ALA 226 Ca 0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2vn3 n ALA 226 Cb 0.38 -1.71 0.06 0.00 0.00 0.00 0.00 19.45 18.18 2vn3 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vn3 s LEU 227 N 1.98 2.83 0.03 0.00 1.43 -0.20 -4.82 118.68 119.93 2vn3 s LEU 227 Ca 0.65 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 2vn3 s LEU 227 Cb -0.48 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 2vn3 s LEU 227 CO 0.58 -1.57 -0.07 0.42 0.23 0.00 0.00 176.35 175.94 2vn3 s THR 228 N -3.23 0.48 0.36 5.49 -4.23 -1.26 0.27 115.64 113.53 2vn3 s THR 228 Ca 0.59 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 2vn3 s THR 228 Cb -0.13 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.22 2vn3 s THR 228 CO 0.53 -0.28 0.66 0.00 -0.54 0.00 0.00 174.62 175.00 2vn3 s ALA 229 N -1.10 -0.19 0.09 3.99 0.00 -0.78 -4.93 121.76 118.84 2vn3 s ALA 229 Ca -0.08 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 50.94 2vn3 s ALA 229 Cb -0.08 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2vn3 s ALA 229 CO 0.00 -0.91 -0.20 0.15 0.00 0.00 0.00 175.76 174.79 2vn3 s LYS 230 N -2.70 1.17 0.14 0.00 1.02 -1.26 -1.46 119.74 116.65 2vn3 s LYS 230 Ca 0.21 -1.09 -0.34 0.00 0.02 0.00 0.00 55.97 54.76 2vn3 s LYS 230 Cb -0.03 -1.38 -0.16 0.00 -0.52 0.00 0.00 37.83 35.74 2vn3 s LYS 230 CO 0.14 0.33 1.28 0.28 -0.92 0.00 0.00 175.35 176.46 2vn3 n VAL 231 N 1.29 0.49 0.00 3.17 0.31 0.27 -0.80 118.33 123.06 2vn3 n VAL 231 Ca -0.19 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2vn3 n VAL 231 Cb 0.54 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2vn3 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vn3 n GLY 232 N 2.31 3.40 3.78 2.92 0.00 0.42 -4.98 105.19 113.05 2vn3 n GLY 232 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2vn3 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vn3 s GLU 233 N -0.81 4.61 -0.26 1.61 2.12 0.02 -4.82 118.70 121.17 2vn3 s GLU 233 Ca 0.00 1.24 -0.11 0.00 0.36 0.00 0.00 54.97 56.46 2vn3 s GLU 233 Cb 0.00 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2vn3 s GLU 233 CO 0.00 0.48 0.17 0.99 -0.54 0.00 0.00 175.26 176.36 2vn3 s THR 234 N -1.30 5.30 -0.01 -1.70 2.01 -1.26 -1.54 115.64 117.15 2vn3 s THR 234 Ca 0.41 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2vn3 s THR 234 Cb -0.22 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2vn3 s THR 234 CO 0.27 0.30 0.04 0.68 -0.69 0.00 0.00 174.62 175.21 2vn3 s VAL 235 N 1.43 4.44 -0.25 3.82 -7.23 0.39 0.77 120.40 123.78 2vn3 s VAL 235 Ca 0.07 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 59.68 2vn3 s VAL 235 Cb -0.15 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2vn3 s VAL 235 CO 0.08 0.38 0.10 -0.22 -0.31 0.00 0.00 175.10 175.13 2vn3 s LEU 236 N -1.59 3.64 -0.39 1.32 2.96 0.13 -0.87 118.68 123.87 2vn3 s LEU 236 Ca 0.21 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.90 2vn3 s LEU 236 Cb -0.12 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.64 2vn3 s LEU 236 CO 0.11 -0.01 0.22 -0.76 -1.32 0.00 0.00 176.35 174.59 2vn3 s LEU 237 N 1.50 4.88 -0.14 -0.68 1.43 0.12 -0.41 118.68 125.38 2vn3 s LEU 237 Ca 0.06 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 2vn3 s LEU 237 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2vn3 s LEU 237 CO 0.05 -0.45 0.48 -0.63 0.23 0.00 0.00 176.35 176.03 2vn3 s ILE 238 N 1.49 5.17 -0.19 -0.59 1.01 0.18 -1.03 121.20 127.23 2vn3 s ILE 238 Ca 0.02 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 2vn3 s ILE 238 Cb -0.21 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2vn3 s ILE 238 CO 0.05 0.29 -0.01 -2.28 0.00 0.00 0.00 174.94 172.99 2vn3 s HIS 239 N 0.91 1.51 0.03 3.97 2.46 -0.68 -0.20 115.29 123.28 2vn3 s HIS 239 Ca 0.25 -1.11 0.03 0.00 0.47 0.00 0.00 55.06 54.69 2vn3 s HIS 239 Cb -0.15 -1.22 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 2vn3 s HIS 239 CO 0.10 -0.64 -0.02 -1.54 -2.47 0.00 0.00 174.74 170.17 2vn3 s SER 240 N 1.69 4.98 -0.27 9.88 1.04 -0.17 -1.46 113.70 129.40 2vn3 s SER 240 Ca -0.02 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 2vn3 s SER 240 Cb -0.17 -1.24 0.14 0.00 0.10 0.00 0.00 66.02 64.85 2vn3 s SER 240 CO -0.07 0.25 0.32 -1.58 0.98 0.00 0.00 173.24 173.14 2vn3 s GLN 241 N -1.75 0.33 0.00 4.02 -0.44 -0.75 -0.86 119.66 120.21 2vn3 s GLN 241 Ca 0.21 0.08 0.29 0.00 -2.50 0.00 0.00 55.36 53.44 2vn3 s GLN 241 Cb -0.11 -0.62 1.22 0.00 -1.64 0.00 0.00 33.01 31.85 2vn3 s GLN 241 CO 0.12 -0.91 1.91 0.00 0.50 0.00 0.00 175.29 176.91 2vn3 n ALA 242 N 5.33 2.41 0.00 1.58 0.00 -1.26 -0.21 120.51 128.35 2vn3 n ALA 242 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2vn3 n ALA 242 Cb 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2vn3 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2vn3 n ASN 243 N -1.48 1.55 -3.83 0.00 5.15 -1.26 -2.70 115.26 112.68 2vn3 n ASN 243 Ca 0.07 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.94 2vn3 n ASN 243 Cb 0.33 0.28 -0.10 0.00 -0.53 0.00 0.00 39.78 39.76 2vn3 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2vn3 s ARG 244 N -0.75 0.50 0.59 1.20 3.52 -1.26 -4.68 118.95 118.07 2vn3 s ARG 244 Ca 0.00 -0.25 -0.19 0.00 -0.13 0.00 0.00 55.73 55.16 2vn3 s ARG 244 Cb 0.00 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 2vn3 s ARG 244 CO 0.00 -0.12 1.17 -0.51 -0.81 0.00 0.00 175.30 175.03 2vn3 s ASP 245 N -1.17 5.32 0.19 -2.12 1.01 -1.26 -3.62 116.67 115.01 2vn3 s ASP 245 Ca -0.12 2.29 -0.07 0.00 0.71 0.00 0.00 52.55 55.36 2vn3 s ASP 245 Cb -0.06 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2vn3 s ASP 245 CO 0.02 -1.50 0.25 0.28 0.21 0.00 0.00 175.17 174.44 2vn3 s THR 246 N -1.72 0.04 -0.47 -1.27 -1.32 -0.24 -4.89 115.64 105.78 2vn3 s THR 246 Ca 0.75 -1.62 0.05 0.00 -1.21 0.00 0.00 61.69 59.66 2vn3 s THR 246 Cb -0.27 -2.11 0.19 0.00 -1.51 0.00 0.00 72.50 68.79 2vn3 s THR 246 CO 0.32 -0.18 0.42 -2.11 -2.21 0.00 0.00 174.62 170.86 2vn3 n ARG 247 N -0.25 0.66 -1.69 7.08 1.85 -1.26 -0.90 116.66 122.16 2vn3 n ARG 247 Ca -0.03 -3.47 -0.40 0.00 -1.00 0.00 0.00 57.85 52.94 2vn3 n ARG 247 Cb 0.64 -1.71 0.02 0.00 -1.05 0.00 0.00 32.46 30.35 2vn3 n ARG 247 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2vn3 n PRO 248 N 2.33 1.72 -3.78 2.89 -0.02 -1.08 -1.41 135.00 135.65 2vn3 n PRO 248 Ca 0.27 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 62.24 2vn3 n PRO 248 Cb 0.46 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 2vn3 n PRO 248 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2vn3 s HIS 249 N -1.26 -0.28 -0.33 6.00 2.46 0.09 -1.37 115.29 120.60 2vn3 s HIS 249 Ca 0.65 0.66 -0.04 0.00 0.47 0.00 0.00 55.06 56.79 2vn3 s HIS 249 Cb -0.49 0.10 0.05 0.00 -0.13 0.00 0.00 32.58 32.11 2vn3 s HIS 249 CO 0.55 -0.18 0.07 -1.17 -2.47 0.00 0.00 174.74 171.54 2vn3 s LEU 250 N -0.09 4.24 -0.04 8.88 2.96 -1.26 -1.33 118.68 132.04 2vn3 s LEU 250 Ca -0.02 -1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 52.31 2vn3 s LEU 250 Cb -0.03 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2vn3 s LEU 250 CO 0.01 -0.32 1.53 -0.63 -1.32 0.00 0.00 176.35 175.61 2vn3 s ILE 251 N 1.32 3.66 0.00 6.68 1.01 -0.25 -1.00 121.20 132.61 2vn3 s ILE 251 Ca -0.02 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2vn3 s ILE 251 Cb -0.20 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2vn3 s ILE 251 CO 0.01 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2vn3 n GLY 252 N 3.90 1.27 0.00 6.18 0.00 -1.26 -4.04 105.19 111.25 2vn3 n GLY 252 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2vn3 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn3 n GLY 253 N -2.00 5.83 3.53 -0.02 0.00 -0.17 -5.01 105.19 107.33 2vn3 n GLY 253 Ca 0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2vn3 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vn3 s HIS 254 N -0.46 0.86 -0.47 1.61 0.09 -1.26 -4.74 115.29 110.93 2vn3 s HIS 254 Ca 0.00 -1.15 -0.13 0.00 -0.00 0.00 0.00 55.06 53.78 2vn3 s HIS 254 Cb 0.00 0.03 0.09 0.00 -0.00 0.00 0.00 32.58 32.70 2vn3 s HIS 254 CO 0.00 -1.13 0.36 0.20 -0.00 0.00 0.00 174.74 174.17 2vn3 s GLY 255 N -3.18 2.03 0.08 -2.22 0.00 -0.17 -4.74 107.32 99.11 2vn3 s GLY 255 Ca 0.28 -2.24 -0.25 0.00 0.00 0.00 0.00 44.72 42.51 2vn3 s GLY 255 CO 0.17 1.06 1.67 -0.55 0.00 0.00 0.00 173.10 175.45 2vn3 h ASP 256 N 8.63 -0.14 -3.51 1.64 3.32 -1.50 -0.81 116.42 124.05 2vn3 h ASP 256 Ca -0.26 -0.04 -0.39 0.00 0.02 0.00 0.00 57.03 56.36 2vn3 h ASP 256 Cb 1.10 0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.35 2vn3 h ASP 256 CO 0.87 -0.05 -0.76 0.26 -1.72 0.00 0.00 179.24 177.83 2vn3 s TRP 257 N -5.96 0.61 -0.04 4.55 0.52 -1.18 -3.17 118.94 114.28 2vn3 s TRP 257 Ca -0.14 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 55.84 2vn3 s TRP 257 Cb 0.05 -0.57 0.02 0.00 -1.15 0.00 0.00 33.47 31.83 2vn3 s TRP 257 CO 0.65 -0.16 -0.03 0.08 0.02 0.00 0.00 176.95 177.51 2vn3 s VAL 258 N 0.84 0.42 -0.69 4.03 1.01 0.23 -0.05 120.40 126.20 2vn3 s VAL 258 Ca -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2vn3 s VAL 258 Cb -0.13 -0.47 0.18 0.00 0.00 0.00 0.00 36.38 35.95 2vn3 s VAL 258 CO -0.00 0.20 0.53 0.26 0.00 0.00 0.00 175.10 176.09 2vn3 s TRP 259 N 1.00 3.50 0.23 5.22 0.51 -0.17 -0.51 118.94 128.73 2vn3 s TRP 259 Ca -0.10 -2.63 -0.01 0.00 -2.12 0.00 0.00 56.10 51.24 2vn3 s TRP 259 Cb -0.14 -3.31 0.25 0.00 -0.81 0.00 0.00 33.47 29.46 2vn3 s TRP 259 CO -0.01 -0.85 1.62 1.05 -0.51 0.00 0.00 176.95 178.25 2vn3 h GLU 260 N 7.04 0.56 -0.00 4.98 4.11 -1.87 -0.50 114.58 128.89 2vn3 h GLU 260 Ca 0.02 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2vn3 h GLU 260 Cb 0.95 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2vn3 h GLU 260 CO 0.73 0.84 -0.06 0.25 0.07 0.00 0.00 179.01 180.84 2vn3 n THR 261 N -4.05 0.00 -1.30 -1.06 -2.24 -1.26 -4.25 114.28 100.12 2vn3 n THR 261 Ca -0.01 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2vn3 n THR 261 Cb 0.49 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2vn3 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vn3 n GLY 262 N 1.36 0.42 2.94 3.38 0.00 -0.24 -4.74 105.19 108.31 2vn3 n GLY 262 Ca 0.12 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2vn3 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vn3 s LYS 263 N -2.62 1.39 0.39 1.61 -0.14 -1.26 -0.74 119.74 118.36 2vn3 s LYS 263 Ca 0.00 -1.49 0.27 0.00 -1.36 0.00 0.00 55.97 53.39 2vn3 s LYS 263 Cb 0.00 -2.79 1.36 0.00 -1.68 0.00 0.00 37.83 34.73 2vn3 s LYS 263 CO 0.00 -0.86 1.82 0.74 -0.76 0.00 0.00 175.35 176.29 2vn3 h PHE 264 N 7.80 0.00 0.00 3.18 0.04 -1.91 -1.34 116.94 124.70 2vn3 h PHE 264 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2vn3 h PHE 264 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2vn3 h PHE 264 CO 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.17 2vn3 n ALA 265 N -1.86 2.08 -2.86 2.45 0.00 -1.26 -4.75 120.51 114.32 2vn3 n ALA 265 Ca -0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 2vn3 n ALA 265 Cb 0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 2vn3 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2vn3 s ASN 266 N -2.57 6.40 0.37 0.00 0.01 -0.51 -5.07 114.94 113.57 2vn3 s ASN 266 Ca 0.20 0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 52.46 2vn3 s ASN 266 Cb 0.14 -2.02 -0.10 0.00 0.41 0.00 0.00 41.25 39.68 2vn3 s ASN 266 CO 0.32 0.22 1.38 -2.16 -1.51 0.00 0.00 177.10 175.35 2vn3 s PRO 267 N -2.10 4.16 0.78 -0.60 0.04 -1.26 -4.97 135.00 131.05 2vn3 s PRO 267 Ca 0.30 2.35 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 2vn3 s PRO 267 Cb -0.13 -2.96 0.06 0.00 0.04 0.00 0.00 34.50 31.52 2vn3 s PRO 267 CO 0.21 -0.40 1.15 -1.25 0.04 0.00 0.00 177.00 176.75 2vn3 s PRO 268 N -2.01 2.18 0.18 0.56 0.04 -1.26 -4.96 135.00 129.73 2vn3 s PRO 268 Ca 0.52 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.83 2vn3 s PRO 268 Cb -0.42 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2vn3 s PRO 268 CO 0.56 -1.47 0.20 -0.65 0.04 0.00 0.00 177.00 175.68 2vn3 s GLN 269 N -5.50 3.07 0.26 4.56 -0.21 0.33 -4.72 119.66 117.45 2vn3 s GLN 269 Ca 0.61 -0.83 0.12 0.00 0.02 0.00 0.00 55.36 55.28 2vn3 s GLN 269 Cb -0.11 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 2vn3 s GLN 269 CO 0.50 0.48 -0.21 -0.98 -2.12 0.00 0.00 175.29 172.96 2vn3 s ARG 270 N -3.32 1.65 -1.31 2.91 1.70 -1.26 -0.60 118.95 118.72 2vn3 s ARG 270 Ca 0.32 -1.70 0.00 0.00 -0.47 0.00 0.00 55.73 53.88 2vn3 s ARG 270 Cb -0.10 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.48 2vn3 s ARG 270 CO 0.25 0.35 0.00 -0.25 -1.08 0.00 0.00 175.30 174.57 2vn3 n ASP 271 N -0.39 -4.52 -4.77 -2.89 8.00 -0.71 -4.96 116.55 106.31 2vn3 n ASP 271 Ca -0.07 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.33 2vn3 n ASP 271 Cb 0.59 -3.10 -0.01 0.00 -0.02 0.00 0.00 41.12 38.57 2vn3 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2vn3 s LEU 272 N -2.80 4.39 -0.08 0.64 1.43 -0.39 -4.72 118.68 117.15 2vn3 s LEU 272 Ca 0.00 2.80 -0.16 0.00 -1.03 0.00 0.00 54.13 55.74 2vn3 s LEU 272 Cb 0.00 -3.65 -0.29 0.00 0.03 0.00 0.00 46.19 42.28 2vn3 s LEU 272 CO 0.00 -0.67 0.65 1.05 0.23 0.00 0.00 176.35 177.61 2vn3 h GLU 273 N 3.52 0.28 -3.53 1.70 4.11 -1.92 -0.43 114.58 118.31 2vn3 h GLU 273 Ca -0.49 -0.48 -0.25 0.00 0.07 0.00 0.00 59.36 58.21 2vn3 h GLU 273 Cb 1.23 0.18 -0.30 0.00 0.50 0.00 0.00 28.75 30.35 2vn3 h GLU 273 CO 0.67 1.23 -0.68 0.99 0.07 0.00 0.00 179.01 181.29 2vn3 s THR 274 N -2.48 -0.03 0.53 -1.06 2.01 -1.26 -4.17 115.64 109.18 2vn3 s THR 274 Ca -0.18 0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2vn3 s THR 274 Cb 0.04 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.46 2vn3 s THR 274 CO 0.79 0.04 0.19 -1.66 -0.69 0.00 0.00 174.62 173.29 2vn3 s TRP 275 N 0.56 1.72 -0.13 4.92 -2.14 -0.47 -5.00 118.94 118.40 2vn3 s TRP 275 Ca -0.04 -0.92 -0.00 0.00 2.66 0.00 0.00 56.10 57.80 2vn3 s TRP 275 Cb -0.06 -1.74 0.03 0.00 -3.10 0.00 0.00 33.47 28.59 2vn3 s TRP 275 CO -0.02 -0.11 -0.09 0.12 -2.66 0.00 0.00 176.95 174.19 2vn3 s PHE 276 N -2.84 1.67 -0.32 1.66 5.36 -1.26 -2.64 117.98 119.61 2vn3 s PHE 276 Ca 0.18 -0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 55.13 2vn3 s PHE 276 Cb -0.00 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.32 2vn3 s PHE 276 CO 0.11 -0.56 0.23 0.42 -1.46 0.00 0.00 175.22 173.95 2vn3 s ILE 277 N 1.65 5.29 0.17 3.12 -1.09 -0.08 -4.57 121.20 125.69 2vn3 s ILE 277 Ca 0.05 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.08 2vn3 s ILE 277 Cb -0.13 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 37.01 2vn3 s ILE 277 CO -0.09 0.07 1.25 -0.13 -1.23 0.00 0.00 174.94 174.82 2vn3 s ARG 278 N 1.74 4.43 0.36 2.79 0.52 -1.26 -1.08 118.95 126.46 2vn3 s ARG 278 Ca 0.07 1.95 -0.28 0.00 -0.52 0.00 0.00 55.73 56.94 2vn3 s ARG 278 Cb -0.17 -3.23 -0.12 0.00 0.52 0.00 0.00 34.95 31.95 2vn3 s ARG 278 CO 0.11 -0.19 1.38 0.41 0.02 0.00 0.00 175.30 177.02 2vn3 n GLY 279 N 2.45 0.86 1.70 -3.53 0.00 -1.24 -1.79 105.19 103.66 2vn3 n GLY 279 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2vn3 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn3 n GLY 280 N 0.62 0.55 3.53 -0.02 0.00 0.70 -4.76 105.19 105.81 2vn3 n GLY 280 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 2vn3 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vn3 s SER 281 N -2.85 -0.22 -0.02 1.61 1.04 -0.74 -4.84 113.70 107.67 2vn3 s SER 281 Ca 0.00 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.92 2vn3 s SER 281 Cb 0.00 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2vn3 s SER 281 CO 0.00 -1.06 -0.16 0.00 0.98 0.00 0.00 173.24 172.99 2vn3 s ALA 282 N -3.90 1.39 0.45 5.32 0.00 -1.26 -1.80 121.76 121.96 2vn3 s ALA 282 Ca 0.11 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2vn3 s ALA 282 Cb -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2vn3 s ALA 282 CO -0.01 0.32 0.02 0.20 0.00 0.00 0.00 175.76 176.28 2vn3 s GLY 283 N -0.28 2.73 -0.12 0.00 0.00 -0.53 -3.59 107.32 105.54 2vn3 s GLY 283 Ca 0.04 -1.34 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 2vn3 s GLY 283 CO -0.00 -2.12 0.27 0.00 0.00 0.00 0.00 173.10 171.26 2vn3 s ALA 284 N -2.85 -0.65 -0.02 3.20 0.00 -0.92 -1.69 121.76 118.83 2vn3 s ALA 284 Ca 0.21 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.29 2vn3 s ALA 284 Cb 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2vn3 s ALA 284 CO 0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 175.76 175.49 2vn3 s ALA 285 N 1.19 1.49 -0.11 0.00 0.00 -0.20 -1.00 121.76 123.13 2vn3 s ALA 285 Ca -0.09 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2vn3 s ALA 285 Cb -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2vn3 s ALA 285 CO -0.09 0.35 0.27 -0.51 0.00 0.00 0.00 175.76 175.78 2vn3 s LEU 286 N -0.33 4.34 -0.01 0.00 1.43 0.93 0.12 118.68 125.17 2vn3 s LEU 286 Ca 0.05 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2vn3 s LEU 286 Cb -0.08 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2vn3 s LEU 286 CO -0.00 0.25 0.02 -0.47 0.23 0.00 0.00 176.35 176.38 2vn3 s TYR 287 N -0.37 0.05 -0.30 0.29 5.04 -0.05 -1.30 117.35 120.72 2vn3 s TYR 287 Ca 0.17 0.07 -0.09 0.00 -2.44 0.00 0.00 57.07 54.79 2vn3 s TYR 287 Cb -0.14 -0.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.99 2vn3 s TYR 287 CO 0.06 -0.06 0.13 0.99 -1.34 0.00 0.00 175.55 175.33 2vn3 s THR 288 N 0.69 4.53 0.24 4.34 2.01 -1.26 -0.46 115.64 125.73 2vn3 s THR 288 Ca -0.06 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2vn3 s THR 288 Cb -0.09 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2vn3 s THR 288 CO -0.02 0.12 1.33 -0.36 -0.69 0.00 0.00 174.62 175.00 2vn3 s PHE 289 N 1.61 3.18 0.00 4.92 0.08 -0.59 -4.90 117.98 122.28 2vn3 s PHE 289 Ca 0.05 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2vn3 s PHE 289 Cb -0.17 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 2vn3 s PHE 289 CO 0.06 -1.97 0.00 1.63 -0.10 0.00 0.00 175.22 174.84 2vn3 n LYS 290 N 2.13 2.25 -4.29 0.44 5.02 -1.26 -0.43 118.16 122.01 2vn3 n LYS 290 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 2vn3 n LYS 290 Cb 0.42 -0.82 -0.14 0.00 -0.02 0.00 0.00 35.03 34.47 2vn3 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2vn3 s GLN 291 N -1.61 0.75 0.87 1.97 -1.52 -1.26 -4.64 119.66 114.22 2vn3 s GLN 291 Ca 0.00 -0.56 -0.13 0.00 -1.95 0.00 0.00 55.36 52.72 2vn3 s GLN 291 Cb 0.00 -0.70 0.12 0.00 -0.22 0.00 0.00 33.01 32.21 2vn3 s GLN 291 CO 0.00 0.18 1.22 -1.25 -0.25 0.00 0.00 175.29 175.18 2vn3 s PRO 292 N -0.80 1.44 0.00 2.91 0.04 -1.26 -4.80 135.00 132.52 2vn3 s PRO 292 Ca 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2vn3 s PRO 292 Cb -0.06 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2vn3 s PRO 292 CO 0.00 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.52 2vn3 n GLY 293 N -3.31 1.36 3.66 0.56 0.00 0.46 -4.94 105.19 102.98 2vn3 n GLY 293 Ca 0.10 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 2vn3 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vn3 s VAL 294 N -1.24 5.08 0.08 1.61 1.01 -1.26 -0.64 120.40 125.04 2vn3 s VAL 294 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2vn3 s VAL 294 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2vn3 s VAL 294 CO 0.00 0.15 0.16 -0.31 0.00 0.00 0.00 175.10 175.10 2vn3 s TYR 295 N 1.77 3.37 -0.19 5.22 1.51 0.70 -4.94 117.35 124.78 2vn3 s TYR 295 Ca 0.25 0.16 -0.09 0.00 -1.01 0.00 0.00 57.07 56.38 2vn3 s TYR 295 Cb -0.16 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 2vn3 s TYR 295 CO 0.10 0.55 0.11 0.00 -1.11 0.00 0.00 175.55 175.21 2vn3 s ALA 296 N -1.49 3.63 -0.22 3.71 0.00 -1.26 -0.14 121.76 125.99 2vn3 s ALA 296 Ca 0.32 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 2vn3 s ALA 296 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 2vn3 s ALA 296 CO 0.25 0.18 0.01 -0.47 0.00 0.00 0.00 175.76 175.73 2vn3 s TYR 297 N 0.32 3.02 0.15 0.00 5.04 0.20 -1.09 117.35 124.99 2vn3 s TYR 297 Ca 0.07 -0.60 -0.15 0.00 -2.44 0.00 0.00 57.07 53.95 2vn3 s TYR 297 Cb -0.11 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.09 2vn3 s TYR 297 CO -0.01 -0.37 0.40 -0.48 -1.34 0.00 0.00 175.55 173.75 2vn3 s LEU 298 N 1.32 0.47 -0.18 6.97 0.05 -0.44 0.04 118.68 126.91 2vn3 s LEU 298 Ca 0.04 -0.47 -0.29 0.00 0.05 0.00 0.00 54.13 53.46 2vn3 s LEU 298 Cb -0.15 1.77 -0.02 0.00 -2.05 0.00 0.00 46.19 45.74 2vn3 s LEU 298 CO 0.01 -0.90 1.41 0.21 -0.55 0.00 0.00 176.35 176.52 2vn3 s ASN 299 N -2.85 6.74 -0.10 1.48 3.84 -0.71 -0.73 114.94 122.61 2vn3 s ASN 299 Ca 0.07 1.70 0.03 0.00 0.21 0.00 0.00 52.86 54.86 2vn3 s ASN 299 Cb 0.02 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.40 2vn3 s ASN 299 CO -0.08 -0.94 1.04 1.57 -2.79 0.00 0.00 177.10 175.91 2vn3 n HIS 300 N 7.22 0.74 -2.94 0.43 -0.00 -0.50 -4.01 115.22 116.16 2vn3 n HIS 300 Ca 0.16 -0.51 -0.43 0.00 -0.00 0.00 0.00 57.72 56.94 2vn3 n HIS 300 Cb 0.45 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.99 30.06 2vn3 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2vn3 s ASN 301 N 0.01 6.39 0.45 0.26 3.84 -1.26 -4.95 114.94 119.69 2vn3 s ASN 301 Ca 0.16 -0.18 0.21 0.00 0.21 0.00 0.00 52.86 53.27 2vn3 s ASN 301 Cb 0.13 -2.40 1.09 0.00 -0.55 0.00 0.00 41.25 39.52 2vn3 s ASN 301 CO 0.04 -0.99 1.94 -0.07 -2.79 0.00 0.00 177.10 175.23 2vn3 h LEU 302 N 10.32 0.00 0.29 3.21 3.38 -2.00 -0.72 115.31 129.80 2vn3 h LEU 302 Ca -0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2vn3 h LEU 302 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2vn3 h LEU 302 CO 0.99 0.23 -0.14 0.40 0.09 0.00 0.00 178.44 180.01 2vn3 h ILE 303 N 0.00 0.74 -0.69 1.22 2.04 -1.92 0.14 117.51 119.04 2vn3 h ILE 303 Ca -0.00 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.65 2vn3 h ILE 303 Cb 0.53 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2vn3 h ILE 303 CO 0.03 0.06 0.45 -0.33 0.00 0.00 0.00 178.15 178.36 2vn3 h GLU 304 N -0.54 0.64 0.26 2.37 5.08 -1.60 0.28 114.58 121.07 2vn3 h GLU 304 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2vn3 h GLU 304 Cb 0.40 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2vn3 h GLU 304 CO 0.07 0.43 -0.13 0.00 -1.00 0.00 0.00 179.01 178.38 2vn3 h ALA 305 N 1.64 -0.35 0.09 3.43 0.00 -1.01 -1.71 119.26 121.34 2vn3 h ALA 305 Ca 0.30 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 2vn3 h ALA 305 Cb 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2vn3 h ALA 305 CO -0.10 -0.34 -1.73 0.74 0.00 0.00 0.00 179.25 177.82 2vn3 h PHE 306 N -1.07 0.33 0.21 0.00 0.04 -0.65 -1.53 116.94 114.28 2vn3 h PHE 306 Ca -0.04 -0.24 -0.28 0.00 2.80 0.00 0.00 57.97 60.21 2vn3 h PHE 306 Cb 0.34 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 38.51 2vn3 h PHE 306 CO 0.02 1.40 -1.23 0.93 -0.60 0.00 0.00 178.31 178.84 2vn3 h GLU 307 N 0.05 0.44 0.00 1.51 4.39 -1.10 -3.40 114.58 116.47 2vn3 h GLU 307 Ca -0.31 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.63 2vn3 h GLU 307 Cb 2.02 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.95 2vn3 h GLU 307 CO 0.11 1.36 -1.69 1.28 -1.16 0.00 0.00 179.01 178.92 2vn3 n LEU 308 N -3.88 0.20 0.00 1.33 4.77 -0.67 -5.02 117.00 113.73 2vn3 n LEU 308 Ca -0.16 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2vn3 n LEU 308 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2vn3 n LEU 308 CO 0.56 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2vn3 n GLY 309 N 1.39 0.89 2.76 -0.72 0.00 -0.60 -1.19 105.19 107.71 2vn3 n GLY 309 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2vn3 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn3 n ALA 310 N -0.53 5.35 -3.63 4.61 0.00 0.66 -4.06 120.51 122.90 2vn3 n ALA 310 Ca 0.00 -3.76 -0.13 0.00 0.00 0.00 0.00 53.44 49.55 2vn3 n ALA 310 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 19.45 15.84 2vn3 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vn3 s ALA 311 N 3.39 -1.79 0.27 0.00 0.00 -1.26 -1.74 121.76 120.62 2vn3 s ALA 311 Ca 0.50 2.10 0.03 0.00 0.00 0.00 0.00 51.96 54.58 2vn3 s ALA 311 Cb 0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2vn3 s ALA 311 CO -0.06 -0.35 0.18 0.20 0.00 0.00 0.00 175.76 175.73 2vn3 s GLY 312 N 0.62 1.87 0.17 0.00 0.00 0.11 -4.54 107.32 105.54 2vn3 s GLY 312 Ca -0.02 -1.83 0.11 0.00 0.00 0.00 0.00 44.72 42.98 2vn3 s GLY 312 CO -0.03 -1.48 -0.24 0.30 0.00 0.00 0.00 173.10 171.66 2vn3 s HIS 313 N -3.80 2.34 -0.15 1.90 3.76 0.12 0.60 115.29 120.07 2vn3 s HIS 313 Ca 0.39 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2vn3 s HIS 313 Cb 0.05 -1.20 0.03 0.00 1.11 0.00 0.00 32.58 32.57 2vn3 s HIS 313 CO 0.18 0.44 -0.10 0.42 -0.85 0.00 0.00 174.74 174.83 2vn3 s ILE 314 N -1.43 1.30 -0.29 0.60 1.01 0.81 -1.04 121.20 122.16 2vn3 s ILE 314 Ca 0.19 -0.55 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 2vn3 s ILE 314 Cb -0.09 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2vn3 s ILE 314 CO 0.09 0.33 0.49 -0.75 0.00 0.00 0.00 174.94 175.10 2vn3 s LYS 315 N 1.58 3.95 -0.20 2.79 2.20 0.14 -0.22 119.74 129.99 2vn3 s LYS 315 Ca 0.03 0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2vn3 s LYS 315 Cb -0.14 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.51 2vn3 s LYS 315 CO -0.09 -0.41 -0.14 0.08 -0.36 0.00 0.00 175.35 174.42 2vn3 s VAL 316 N 2.29 2.47 0.34 4.02 1.01 0.19 -1.86 120.40 128.87 2vn3 s VAL 316 Ca 0.19 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 2vn3 s VAL 316 Cb -0.16 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 2vn3 s VAL 316 CO 0.10 0.45 0.70 -1.61 0.00 0.00 0.00 175.10 174.75 2vn3 s GLU 317 N 1.33 3.83 0.00 2.72 0.41 -0.53 -0.41 118.70 126.05 2vn3 s GLU 317 Ca 0.04 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 2vn3 s GLU 317 Cb -0.14 -2.47 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2vn3 s GLU 317 CO -0.09 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 2vn3 n GLY 318 N -0.80 0.90 3.67 -1.39 0.00 -1.26 -0.57 105.19 105.74 2vn3 n GLY 318 Ca 0.02 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 2vn3 n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vn3 s LYS 319 N -2.00 4.07 0.38 1.61 2.47 -1.26 -4.66 119.74 120.36 2vn3 s LYS 319 Ca 0.00 -0.28 -0.28 0.00 -1.56 0.00 0.00 55.97 53.85 2vn3 s LYS 319 Cb 0.00 -3.41 -0.11 0.00 -1.46 0.00 0.00 37.83 32.85 2vn3 s LYS 319 CO 0.00 0.18 1.49 1.87 0.16 0.00 0.00 175.35 179.06 2vn3 n TRP 320 N 3.87 3.00 -3.94 4.03 -0.00 -1.26 -4.51 117.44 118.63 2vn3 n TRP 320 Ca -0.16 0.44 -0.33 0.00 -0.00 0.00 0.00 57.50 57.45 2vn3 n TRP 320 Cb 0.52 -2.53 -0.14 0.00 -0.00 0.00 0.00 31.31 29.16 2vn3 n TRP 320 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2vn3 s ASN 321 N -0.14 4.88 0.42 5.87 3.84 -1.26 -4.98 114.94 123.56 2vn3 s ASN 321 Ca 0.53 -1.88 0.29 0.00 0.21 0.00 0.00 52.86 52.01 2vn3 s ASN 321 Cb -0.47 -1.69 1.23 0.00 -0.55 0.00 0.00 41.25 39.77 2vn3 s ASN 321 CO 0.64 -0.38 1.87 0.44 -2.79 0.00 0.00 177.10 176.87 2vn3 h ASP 322 N 7.81 0.00 -0.17 -4.21 3.32 -1.95 -2.20 116.42 119.03 2vn3 h ASP 322 Ca -0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2vn3 h ASP 322 Cb 1.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2vn3 h ASP 322 CO 0.56 0.00 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.21 2vn3 h ASP 323 N 0.00 0.37 -0.10 6.45 3.58 -2.01 -3.26 116.42 121.45 2vn3 h ASP 323 Ca 0.00 -0.43 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 2vn3 h ASP 323 Cb 0.42 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2vn3 h ASP 323 CO 0.00 0.72 0.01 -0.07 -2.88 0.00 0.00 179.24 177.02 2vn3 h LEU 324 N 0.03 0.17 -7.30 2.28 3.38 -1.92 -3.45 115.31 108.50 2vn3 h LEU 324 Ca 0.03 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2vn3 h LEU 324 Cb 0.59 -0.05 -0.26 0.00 0.09 0.00 0.00 40.66 41.03 2vn3 h LEU 324 CO 0.03 0.41 -0.33 -0.32 0.09 0.00 0.00 178.44 178.32 2vn3 s MET 325 N -5.08 0.38 -0.05 1.13 0.00 -0.85 -5.14 119.30 109.68 2vn3 s MET 325 Ca -0.14 0.62 -0.02 0.00 0.00 0.00 0.00 55.69 56.15 2vn3 s MET 325 Cb 0.05 0.06 0.03 0.00 0.00 0.00 0.00 34.83 34.98 2vn3 s MET 325 CO 0.70 -0.11 0.08 0.21 0.00 0.00 0.00 175.02 175.90 2vn3 s LYS 326 N 0.85 -0.01 -0.55 4.11 2.20 -1.24 -4.00 119.74 121.09 2vn3 s LYS 326 Ca -0.05 0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.63 2vn3 s LYS 326 Cb -0.06 -0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 35.92 2vn3 s LYS 326 CO -0.06 -0.24 1.77 -1.14 -0.36 0.00 0.00 175.35 175.32 2vn3 s GLN 327 N 1.64 2.88 -0.05 4.03 0.74 -1.26 -4.86 119.66 122.77 2vn3 s GLN 327 Ca -0.03 0.74 -0.20 0.00 0.05 0.00 0.00 55.36 55.92 2vn3 s GLN 327 Cb -0.12 -4.31 -0.15 0.00 1.10 0.00 0.00 33.01 29.53 2vn3 s GLN 327 CO -0.04 -2.43 0.83 0.82 -0.55 0.00 0.00 175.29 173.92 2vn3 h ILE 328 N 6.78 0.80 -3.21 -2.34 1.08 -2.01 -3.43 117.51 115.18 2vn3 h ILE 328 Ca -0.28 -1.13 -0.57 0.00 -0.39 0.00 0.00 64.86 62.49 2vn3 h ILE 328 Cb 1.15 1.36 -0.37 0.00 -3.07 0.00 0.00 36.82 35.90 2vn3 h ILE 328 CO 1.18 0.21 -0.81 -0.54 -0.69 0.00 0.00 178.15 177.50 2vn3 s LYS 329 N -3.32 1.84 1.04 2.37 3.01 -1.26 -5.14 119.74 118.28 2vn3 s LYS 329 Ca -0.12 -0.48 -0.12 0.00 -1.01 0.00 0.00 55.97 54.25 2vn3 s LYS 329 Cb 0.00 -1.94 0.21 0.00 -1.01 0.00 0.00 37.83 35.09 2vn3 s LYS 329 CO 0.45 -0.31 1.08 0.00 0.51 0.00 0.00 175.35 177.08 2vn3 s ALA 330 N 1.58 0.50 0.20 5.17 0.00 -1.26 -4.90 121.76 123.05 2vn3 s ALA 330 Ca 0.03 0.09 -0.33 0.00 0.00 0.00 0.00 51.96 51.76 2vn3 s ALA 330 Cb -0.14 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 2vn3 s ALA 330 CO -0.09 -3.23 1.38 -2.30 0.00 0.00 0.00 175.76 171.52 2vn3 n PRO 331 N -4.51 1.78 -3.47 0.00 -0.02 -1.26 -4.98 135.00 122.54 2vn3 n PRO 331 Ca 0.06 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2vn3 n PRO 331 Cb 0.54 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2vn3 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vn3 s ALA 332 N 0.15 -1.62 0.43 3.55 0.00 -1.26 -5.15 121.76 117.86 2vn3 s ALA 332 Ca 0.73 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 2vn3 s ALA 332 Cb -0.73 0.79 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 2vn3 s ALA 332 CO 0.48 -0.78 0.82 -2.30 0.00 0.00 0.00 175.76 173.98 2vn3 n PRO 333 N -0.36 1.00 -1.86 0.00 -0.02 -1.26 -4.88 135.00 127.61 2vn3 n PRO 333 Ca -0.14 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 2vn3 n PRO 333 Cb 0.64 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2vn3 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vn3 s ILE 334 N -1.37 3.34 -0.17 4.25 1.01 -1.26 -4.91 121.20 122.09 2vn3 s ILE 334 Ca 0.64 0.39 -0.41 0.00 0.00 0.00 0.00 60.65 61.27 2vn3 s ILE 334 Cb -0.57 -3.33 -0.18 0.00 0.01 0.00 0.00 42.46 38.40 2vn3 s ILE 334 CO 0.56 -0.12 1.44 -2.65 0.00 0.00 0.00 174.94 174.17 2vn3 n PRO 335 N 7.80 0.58 0.00 2.79 -0.02 -1.26 -5.36 135.00 139.53 2vn3 n PRO 335 Ca 0.21 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 62.01 2vn3 n PRO 335 Cb 0.44 -1.79 0.65 0.00 -0.02 0.00 0.00 33.50 32.77 2vn3 n PRO 335 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02