#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vae s ILE 8 N 0.00 5.02 0.71 1.55 1.01 -1.26 -5.02 121.20 123.20 2vae s ILE 8 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 2vae s ILE 8 Cb 0.00 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2vae s ILE 8 CO 0.00 -0.43 1.02 -0.54 0.00 0.00 0.00 174.94 174.99 2vae s LYS 9 N 2.33 2.17 0.53 2.79 -0.14 -1.26 -4.98 119.74 121.18 2vae s LYS 9 Ca 0.15 -0.25 0.19 0.00 -1.36 0.00 0.00 55.97 54.70 2vae s LYS 9 Cb -0.16 -2.16 1.35 0.00 -1.68 0.00 0.00 37.83 35.18 2vae s LYS 9 CO 0.15 -1.27 2.15 0.93 -0.76 0.00 0.00 175.35 176.56 2vae h GLU 10 N -0.62 0.00 -5.26 1.68 5.08 -1.97 -3.40 114.58 110.08 2vae h GLU 10 Ca -0.44 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 2vae h GLU 10 Cb 1.32 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.24 2vae h GLU 10 CO 0.60 0.02 -0.85 0.12 -1.00 0.00 0.00 179.01 177.90 2vae s PHE 11 N -4.92 1.96 -0.01 4.33 5.36 -1.26 -3.77 117.98 119.67 2vae s PHE 11 Ca -0.05 -0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 55.25 2vae s PHE 11 Cb 0.16 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 2vae s PHE 11 CO 0.65 -0.25 0.02 -1.64 -1.46 0.00 0.00 175.22 172.53 2vae s MET 12 N 0.21 0.03 0.28 10.12 -1.94 -0.83 -5.02 119.30 122.16 2vae s MET 12 Ca -0.10 0.01 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 2vae s MET 12 Cb -0.14 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.69 2vae s MET 12 CO 0.04 -0.00 0.41 1.03 -0.01 0.00 0.00 175.02 176.49 2vae s ARG 13 N -0.03 3.30 0.04 2.03 0.52 -1.26 -1.66 118.95 121.89 2vae s ARG 13 Ca -0.00 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 2vae s ARG 13 Cb -0.00 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2vae s ARG 13 CO 0.00 0.27 0.01 -0.59 0.02 0.00 0.00 175.30 175.01 2vae s PHE 14 N -2.07 0.37 0.01 -0.53 -0.12 -0.17 -1.29 117.98 114.19 2vae s PHE 14 Ca 0.39 -0.79 0.08 0.00 -0.05 0.00 0.00 56.93 56.55 2vae s PHE 14 Cb -0.09 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2vae s PHE 14 CO 0.30 -0.34 -0.23 0.15 -0.05 0.00 0.00 175.22 175.05 2vae s LYS 15 N -3.04 1.71 0.01 1.99 1.02 -0.21 -0.55 119.74 120.67 2vae s LYS 15 Ca -0.01 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2vae s LYS 15 Cb 0.02 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.56 2vae s LYS 15 CO -0.07 0.47 -0.06 0.54 -0.92 0.00 0.00 175.35 175.31 2vae s VAL 16 N -0.67 0.46 -0.02 3.17 0.11 -0.47 -0.55 120.40 122.44 2vae s VAL 16 Ca 0.09 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2vae s VAL 16 Cb -0.09 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2vae s VAL 16 CO 0.01 -0.00 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.56 2vae s ARG 17 N -0.49 0.76 -0.05 1.54 0.52 -0.68 -0.85 118.95 119.69 2vae s ARG 17 Ca -0.01 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2vae s ARG 17 Cb -0.04 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.71 2vae s ARG 17 CO -0.00 0.12 -0.15 1.41 0.02 0.00 0.00 175.30 176.70 2vae s MET 18 N 0.06 1.77 -0.18 3.54 -2.45 0.10 -1.07 119.30 121.07 2vae s MET 18 Ca -0.01 -0.53 -0.03 0.00 -1.25 0.00 0.00 55.69 53.87 2vae s MET 18 Cb -0.06 -1.49 -0.02 0.00 1.25 0.00 0.00 34.83 34.51 2vae s MET 18 CO -0.00 0.15 -0.06 -1.21 1.05 0.00 0.00 175.02 174.95 2vae s GLU 19 N 0.30 3.50 0.20 4.11 2.02 -0.43 -1.24 118.70 127.16 2vae s GLU 19 Ca -0.09 -0.59 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2vae s GLU 19 Cb -0.13 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 2vae s GLU 19 CO 0.03 0.07 0.21 0.20 0.02 0.00 0.00 175.26 175.78 2vae s GLY 20 N 0.79 1.12 -0.07 -1.39 0.00 -0.33 -1.79 107.32 105.65 2vae s GLY 20 Ca -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 2vae s GLY 20 CO 0.02 -1.19 0.23 -0.45 0.00 0.00 0.00 173.10 171.71 2vae s SER 21 N -3.10 -0.21 -0.05 1.64 0.15 -0.35 -1.07 113.70 110.71 2vae s SER 21 Ca 0.32 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 2vae s SER 21 Cb 0.05 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2vae s SER 21 CO 0.09 -0.15 0.01 -0.69 1.20 0.00 0.00 173.24 173.70 2vae s VAL 22 N -0.19 0.24 -1.65 4.45 1.01 -0.63 -0.53 120.40 123.09 2vae s VAL 22 Ca -0.03 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2vae s VAL 22 Cb -0.03 -0.38 0.13 0.00 0.00 0.00 0.00 36.38 36.11 2vae s VAL 22 CO 0.01 0.20 0.72 0.59 0.00 0.00 0.00 175.10 176.62 2vae n ASN 23 N 4.71 -2.82 0.00 3.32 4.13 -0.43 -0.67 115.26 123.50 2vae n ASN 23 Ca -0.15 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.10 2vae n ASN 23 Cb 0.50 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.93 2vae n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vae n GLY 24 N -1.52 1.61 3.55 7.41 0.00 -1.26 -5.01 105.19 109.97 2vae n GLY 24 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2vae n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vae s HIS 25 N -3.24 3.16 0.18 1.61 5.04 0.16 -5.06 115.29 117.14 2vae s HIS 25 Ca 0.00 0.18 -0.16 0.00 -1.54 0.00 0.00 55.06 53.54 2vae s HIS 25 Cb 0.00 -3.02 -0.07 0.00 0.04 0.00 0.00 32.58 29.53 2vae s HIS 25 CO 0.00 -0.60 0.62 -1.21 -2.34 0.00 0.00 174.74 171.21 2vae s GLU 26 N 2.51 4.07 0.18 2.88 2.02 -1.26 -1.61 118.70 127.49 2vae s GLU 26 Ca 0.20 0.63 -0.17 0.00 0.02 0.00 0.00 54.97 55.65 2vae s GLU 26 Cb -0.15 -2.88 0.03 0.00 0.10 0.00 0.00 34.13 31.23 2vae s GLU 26 CO 0.14 0.43 0.48 -0.59 0.02 0.00 0.00 175.26 175.74 2vae s PHE 27 N -1.52 -0.09 0.02 1.61 -0.12 -0.23 -4.36 117.98 113.28 2vae s PHE 27 Ca 0.41 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 2vae s PHE 27 Cb -0.15 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2vae s PHE 27 CO 0.20 -0.86 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.22 2vae s GLU 28 N -3.87 0.53 0.01 1.99 2.02 -0.14 -1.19 118.70 118.06 2vae s GLU 28 Ca 0.09 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2vae s GLU 28 Cb -0.00 -0.43 -0.01 0.00 0.10 0.00 0.00 34.13 33.79 2vae s GLU 28 CO -0.04 0.10 -0.06 0.42 0.02 0.00 0.00 175.26 175.70 2vae s ILE 29 N -0.71 0.48 0.05 -1.63 1.01 -0.37 -0.62 121.20 119.40 2vae s ILE 29 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2vae s ILE 29 Cb -0.06 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 2vae s ILE 29 CO 0.00 -0.06 -0.10 -1.61 0.00 0.00 0.00 174.94 173.18 2vae s GLU 30 N -0.65 0.63 0.00 2.79 2.02 -0.16 -0.73 118.70 122.61 2vae s GLU 30 Ca -0.02 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2vae s GLU 30 Cb -0.05 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.68 2vae s GLU 30 CO 0.00 0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2vae n GLY 31 N 1.53 1.56 3.19 -1.39 0.00 -0.03 -0.44 105.19 109.59 2vae n GLY 31 Ca -0.21 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2vae n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vae s GLU 32 N -1.72 0.71 0.35 1.61 -1.05 -0.71 -1.37 118.70 116.53 2vae s GLU 32 Ca 0.00 -0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 54.13 2vae s GLU 32 Cb 0.00 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2vae s GLU 32 CO 0.00 -0.21 0.51 0.20 0.95 0.00 0.00 175.26 176.71 2vae s GLY 33 N -2.15 1.36 0.11 -3.83 0.00 0.29 -0.61 107.32 102.49 2vae s GLY 33 Ca -0.04 -1.43 -0.25 0.00 0.00 0.00 0.00 44.72 43.00 2vae s GLY 33 CO -0.04 -0.92 0.72 -1.83 0.00 0.00 0.00 173.10 171.02 2vae s GLU 34 N -2.98 1.15 0.00 2.90 -1.05 -0.55 -1.00 118.70 117.17 2vae s GLU 34 Ca 0.29 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 2vae s GLU 34 Cb -0.01 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2vae s GLU 34 CO 0.19 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2vae n GLY 35 N -0.34 -1.08 2.94 -3.83 0.00 -0.67 -0.64 105.19 101.58 2vae n GLY 35 Ca -0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2vae n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vae s ARG 36 N -0.53 1.57 0.51 1.61 1.81 -0.11 -1.96 118.95 121.86 2vae s ARG 36 Ca 0.00 -2.08 0.19 0.00 -1.72 0.00 0.00 55.73 52.12 2vae s ARG 36 Cb 0.00 -3.07 1.31 0.00 -0.45 0.00 0.00 34.95 32.75 2vae s ARG 36 CO 0.00 -1.02 2.13 -1.35 -0.68 0.00 0.00 175.30 174.37 2vae h PRO 37 N 7.19 0.00 -0.00 3.54 0.11 -1.79 -0.50 132.00 140.54 2vae h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2vae h PRO 37 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2vae h PRO 37 CO 0.57 0.05 -0.33 0.66 -0.21 0.00 0.00 178.00 178.75 2vae n TYR 38 N -4.31 0.00 0.47 0.65 4.02 -1.26 -3.81 117.16 112.92 2vae n TYR 38 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.93 2vae n TYR 38 Cb 0.14 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 39.20 2vae n TYR 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2vae n GLU 39 N -0.95 1.81 -1.05 -0.72 1.02 -0.30 -4.71 120.64 115.74 2vae n GLU 39 Ca 0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2vae n GLU 39 Cb 0.34 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2vae n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vae n GLY 40 N 1.43 0.52 3.28 0.62 0.00 -0.59 -4.69 105.19 105.77 2vae n GLY 40 Ca 0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2vae n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vae s THR 41 N -2.00 1.75 0.05 2.61 -4.23 -1.19 -0.84 115.64 111.80 2vae s THR 41 Ca 0.00 -1.37 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 2vae s THR 41 Cb 0.00 -1.55 0.09 0.00 1.34 0.00 0.00 72.50 72.38 2vae s THR 41 CO 0.00 0.11 0.77 0.00 -0.54 0.00 0.00 174.62 174.96 2vae s GLN 42 N -1.50 1.00 0.21 3.99 -2.07 -0.60 -0.93 119.66 119.75 2vae s GLN 42 Ca 0.08 -0.33 0.06 0.00 -1.82 0.00 0.00 55.36 53.35 2vae s GLN 42 Cb -0.09 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 2vae s GLN 42 CO 0.03 -0.43 -0.10 0.95 -1.32 0.00 0.00 175.29 174.42 2vae s THR 43 N -3.21 1.49 -0.01 3.63 -4.23 0.18 -0.90 115.64 112.59 2vae s THR 43 Ca 0.02 -2.14 -0.10 0.00 -1.18 0.00 0.00 61.69 58.30 2vae s THR 43 Cb -0.01 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2vae s THR 43 CO -0.09 -0.54 0.20 0.00 -0.54 0.00 0.00 174.62 173.64 2vae s ALA 44 N -3.13 -0.50 -0.10 3.99 0.00 -0.55 -1.49 121.76 120.00 2vae s ALA 44 Ca 0.23 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2vae s ALA 44 Cb 0.02 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2vae s ALA 44 CO 0.06 -0.22 -0.09 0.21 0.00 0.00 0.00 175.76 175.72 2vae s LYS 45 N -1.32 1.59 0.10 0.00 2.20 0.22 -0.58 119.74 121.95 2vae s LYS 45 Ca -0.14 -0.32 0.09 0.00 -0.36 0.00 0.00 55.97 55.24 2vae s LYS 45 Cb -0.07 -1.52 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 2vae s LYS 45 CO 0.02 -0.16 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.16 2vae s LEU 46 N 1.31 2.66 -0.04 5.43 2.01 0.66 -1.73 118.68 128.97 2vae s LEU 46 Ca -0.02 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.59 2vae s LEU 46 Cb -0.14 -1.52 0.01 0.00 0.01 0.00 0.00 46.19 44.56 2vae s LEU 46 CO -0.04 0.19 -0.08 -0.54 1.01 0.00 0.00 176.35 176.90 2vae s LYS 47 N -2.01 1.04 -0.08 1.70 1.02 0.41 -1.26 119.74 120.55 2vae s LYS 47 Ca 0.17 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 2vae s LYS 47 Cb -0.11 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 2vae s LYS 47 CO 0.09 0.02 1.23 0.08 -0.92 0.00 0.00 175.35 175.84 2vae s VAL 48 N 0.56 4.24 -0.02 3.17 1.01 -0.03 -0.98 120.40 128.35 2vae s VAL 48 Ca -0.09 1.55 0.11 0.00 0.00 0.00 0.00 61.98 63.55 2vae s VAL 48 Cb -0.12 -4.00 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 2vae s VAL 48 CO 0.01 -0.04 0.21 0.35 0.00 0.00 0.00 175.10 175.63 2vae n THR 49 N 4.83 0.08 -3.81 3.92 -2.24 0.21 -4.87 114.28 112.40 2vae n THR 49 Ca 0.12 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2vae n THR 49 Cb 0.46 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 2vae n THR 49 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2vae s LYS 50 N -2.69 0.33 0.00 -0.78 1.02 -0.98 -4.92 119.74 111.72 2vae s LYS 50 Ca -0.04 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2vae s LYS 50 Cb 0.06 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2vae s LYS 50 CO 0.44 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2vae n GLY 51 N 2.54 0.53 3.92 -3.33 0.00 -1.26 -0.97 105.19 106.62 2vae n GLY 51 Ca -0.15 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2vae n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vae s GLY 52 N -2.24 1.48 0.41 -0.02 0.00 -1.26 -4.00 107.32 101.68 2vae s GLY 52 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.75 2vae s GLY 52 CO 0.00 -0.63 1.12 2.56 0.00 0.00 0.00 173.10 176.15 2vae s PRO 53 N -4.28 4.03 0.28 2.90 0.04 -1.26 -5.11 135.00 131.61 2vae s PRO 53 Ca 0.43 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2vae s PRO 53 Cb -0.10 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 2vae s PRO 53 CO 0.37 -0.30 1.33 -0.51 0.04 0.00 0.00 177.00 177.93 2vae s LEU 54 N -2.65 4.42 -0.17 -3.56 1.43 -1.26 -4.92 118.68 111.97 2vae s LEU 54 Ca 0.59 2.60 0.04 0.00 -1.03 0.00 0.00 54.13 56.32 2vae s LEU 54 Cb -0.27 -3.63 0.36 0.00 0.03 0.00 0.00 46.19 42.68 2vae s LEU 54 CO 0.34 -0.55 1.30 -0.81 0.23 0.00 0.00 176.35 176.86 2vae n PRO 55 N 1.60 2.21 -4.02 1.29 -0.04 -1.26 -4.90 135.00 129.88 2vae n PRO 55 Ca 0.03 -1.52 -0.10 0.00 -0.04 0.00 0.00 63.50 61.88 2vae n PRO 55 Cb 0.42 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2vae n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vae s PHE 56 N -1.74 0.48 0.09 0.54 -0.12 -1.26 -4.69 117.98 111.28 2vae s PHE 56 Ca 0.28 -0.82 -0.31 0.00 -0.05 0.00 0.00 56.93 56.03 2vae s PHE 56 Cb 0.22 0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.57 2vae s PHE 56 CO 0.07 -0.90 1.73 0.00 -0.05 0.00 0.00 175.22 176.06 2vae s ALA 57 N -4.03 3.72 0.35 1.99 0.00 0.18 -4.90 121.76 119.07 2vae s ALA 57 Ca 0.24 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.57 2vae s ALA 57 Cb 0.01 -3.73 0.73 0.00 0.00 0.00 0.00 23.12 20.14 2vae s ALA 57 CO 0.08 -1.16 1.91 2.35 0.00 0.00 0.00 175.76 178.94 2vae h TRP 58 N 8.46 0.85 -1.05 0.00 2.91 -1.96 -2.94 115.95 122.21 2vae h TRP 58 Ca -0.44 0.02 0.29 0.00 1.13 0.00 0.00 58.89 59.89 2vae h TRP 58 Cb 1.21 -0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 29.53 2vae h TRP 58 CO 0.79 0.39 0.73 -0.44 -1.03 0.00 0.00 178.44 178.87 2vae h ASP 59 N 0.78 0.16 0.99 2.65 3.32 -1.95 0.12 116.42 122.50 2vae h ASP 59 Ca 0.39 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 2vae h ASP 59 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2vae h ASP 59 CO -0.16 0.04 -0.03 0.16 -1.72 0.00 0.00 179.24 177.53 2vae h ILE 60 N 0.14 0.07 0.00 0.35 3.07 -1.92 -3.03 117.51 116.20 2vae h ILE 60 Ca 0.53 -0.58 -0.20 0.00 1.55 0.00 0.00 64.86 66.17 2vae h ILE 60 Cb 1.83 1.53 -0.03 0.00 -0.27 0.00 0.00 36.82 39.88 2vae h ILE 60 CO -0.10 0.03 -1.39 -0.07 -1.05 0.00 0.00 178.15 175.57 2vae h LEU 61 N 0.00 0.00 -0.90 0.16 3.38 -0.96 -3.42 115.31 113.57 2vae h LEU 61 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2vae h LEU 61 Cb 0.53 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2vae h LEU 61 CO 0.00 0.71 0.54 0.77 0.09 0.00 0.00 178.44 180.56 2vae h SER 62 N 0.00 0.78 0.00 -0.43 4.64 -1.38 -0.57 113.55 116.60 2vae h SER 62 Ca -0.17 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2vae h SER 62 Cb 1.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2vae h SER 62 CO 0.06 0.42 0.00 -2.65 -0.87 0.00 0.00 176.83 173.80 2vae n PRO 63 N -4.70 0.82 -0.00 4.77 -0.02 -1.26 -2.97 135.00 131.63 2vae n PRO 63 Ca 0.16 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 2vae n PRO 63 Cb 0.32 -1.09 -0.14 0.00 -0.02 0.00 0.00 33.50 32.57 2vae n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2vae n GLN 64 N -0.59 0.55 -1.46 -0.52 1.13 -0.22 -4.82 117.38 111.45 2vae n GLN 64 Ca 0.04 -0.09 -0.27 0.00 -1.94 0.00 0.00 57.00 54.73 2vae n GLN 64 Cb 0.02 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 28.84 2vae n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2vae n PHE 65 N -1.84 1.51 0.00 1.08 3.72 -1.16 -5.00 117.46 115.77 2vae n PHE 65 Ca -0.00 -2.14 0.00 0.00 -0.05 0.00 0.00 57.45 55.26 2vae n PHE 65 Cb 0.42 -1.65 0.00 0.00 -0.94 0.00 0.00 39.48 37.31 2vae n PHE 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2vae n SER 69 N 1.73 0.00 0.00 4.37 2.88 -1.26 -5.06 113.62 116.28 2vae n SER 69 Ca 0.54 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 2vae n SER 69 Cb 0.54 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.63 2vae n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2vae n LYS 70 N 0.00 0.96 0.18 -1.46 4.76 -1.26 -2.38 118.16 118.96 2vae n LYS 70 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2vae n LYS 70 Cb 0.00 -1.34 0.60 0.00 -1.84 0.00 0.00 35.03 32.45 2vae n LYS 70 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2vae h VAL 71 N 0.00 0.00 -0.01 -0.18 3.04 -1.97 -2.75 116.25 114.39 2vae h VAL 71 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2vae h VAL 71 Cb 0.00 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2vae h VAL 71 CO 0.00 0.00 -0.12 -1.22 -1.01 0.00 0.00 177.57 175.22 2vae n TYR 72 N -2.47 0.00 -1.92 3.17 4.01 -1.00 -4.78 117.16 114.17 2vae n TYR 72 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 2vae n TYR 72 Cb 0.20 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 2vae n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vae s VAL 73 N -2.30 2.49 -0.11 -0.72 1.01 -1.04 -2.59 120.40 117.15 2vae s VAL 73 Ca 0.31 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.38 2vae s VAL 73 Cb 0.20 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2vae s VAL 73 CO 0.44 0.05 1.37 -0.75 0.00 0.00 0.00 175.10 176.20 2vae s LYS 74 N 0.33 4.23 -0.06 2.72 2.20 -0.83 -4.74 119.74 123.60 2vae s LYS 74 Ca 0.65 1.82 0.04 0.00 -0.36 0.00 0.00 55.97 58.13 2vae s LYS 74 Cb -0.44 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2vae s LYS 74 CO 0.38 -0.71 -0.17 -1.01 -0.36 0.00 0.00 175.35 173.48 2vae s HIS 75 N 3.45 2.63 0.78 4.03 3.76 -1.26 0.00 115.29 128.68 2vae s HIS 75 Ca 0.60 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 55.08 2vae s HIS 75 Cb -0.26 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 31.86 2vae s HIS 75 CO 0.20 0.06 1.10 -1.25 -0.85 0.00 0.00 174.74 174.00 2vae s PRO 76 N -0.51 2.14 0.55 8.40 0.04 -1.26 -4.91 135.00 139.43 2vae s PRO 76 Ca 0.07 1.26 0.25 0.00 0.04 0.00 0.00 61.00 62.62 2vae s PRO 76 Cb -0.12 -1.88 1.55 0.00 0.04 0.00 0.00 34.50 34.10 2vae s PRO 76 CO 0.01 -1.75 2.16 0.00 0.04 0.00 0.00 177.00 177.47 2vae h ALA 77 N -1.09 1.56 -0.05 8.56 0.00 -2.00 -2.22 119.26 124.03 2vae h ALA 77 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2vae h ALA 77 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vae h ALA 77 CO 0.50 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 2vae n ASP 78 N -3.96 1.31 -4.16 0.00 5.75 -1.26 -4.68 116.55 109.55 2vae n ASP 78 Ca -0.03 -1.48 -0.34 0.00 -0.01 0.00 0.00 54.79 52.93 2vae n ASP 78 Cb 0.14 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.06 2vae n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vae s ILE 79 N -1.95 2.76 0.18 2.12 1.01 -0.84 -5.03 121.20 119.45 2vae s ILE 79 Ca 0.38 -1.29 -0.33 0.00 0.00 0.00 0.00 60.65 59.41 2vae s ILE 79 Cb 0.20 -2.51 -0.14 0.00 0.01 0.00 0.00 42.46 40.02 2vae s ILE 79 CO 0.32 0.04 1.46 -2.65 0.00 0.00 0.00 174.94 174.11 2vae n PRO 80 N 4.60 1.92 -3.27 2.79 -0.02 -1.26 -4.66 135.00 135.10 2vae n PRO 80 Ca -0.15 0.69 -0.45 0.00 -2.02 0.00 0.00 63.50 61.57 2vae n PRO 80 Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2vae n PRO 80 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2vae n ASP 81 N 2.73 5.66 -0.19 2.55 -0.08 -1.26 -4.33 116.55 121.63 2vae n ASP 81 Ca 0.15 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 2vae n ASP 81 Cb 0.28 -1.37 0.10 0.00 2.34 0.00 0.00 41.12 42.47 2vae n ASP 81 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2vae h TYR 82 N 6.46 0.10 -0.73 -0.67 3.20 -1.90 0.70 116.97 124.14 2vae h TYR 82 Ca 0.19 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2vae h TYR 82 Cb 0.83 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 2vae h TYR 82 CO 0.81 -0.08 0.28 0.87 -1.64 0.00 0.00 178.16 178.39 2vae h LYS 83 N 0.20 1.10 -0.39 1.82 1.57 -1.91 -1.62 116.57 117.33 2vae h LYS 83 Ca 0.31 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2vae h LYS 83 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2vae h LYS 83 CO -0.44 0.91 -0.31 0.87 -0.57 0.00 0.00 179.45 179.92 2vae h LYS 84 N 1.05 0.86 0.00 3.15 1.57 -1.54 -2.92 116.57 118.74 2vae h LYS 84 Ca 0.24 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2vae h LYS 84 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2vae h LYS 84 CO -0.02 1.05 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.74 2vae h LEU 85 N 0.72 0.00 -1.62 2.94 3.38 -0.55 -2.60 115.31 117.59 2vae h LEU 85 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2vae h LEU 85 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2vae h LEU 85 CO 0.08 0.09 -0.02 0.77 0.09 0.00 0.00 178.44 179.45 2vae h SER 86 N 0.00 0.00 -4.21 -0.43 4.64 -1.10 -3.44 113.55 109.01 2vae h SER 86 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2vae h SER 86 Cb 0.28 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2vae h SER 86 CO 0.01 0.02 0.38 -0.36 -0.87 0.00 0.00 176.83 176.01 2vae s PHE 87 N -3.74 3.40 0.05 4.77 0.40 -0.98 -0.40 117.98 121.49 2vae s PHE 87 Ca 0.00 1.45 0.30 0.00 -0.60 0.00 0.00 56.93 58.09 2vae s PHE 87 Cb 0.10 -2.82 1.16 0.00 0.51 0.00 0.00 43.02 41.97 2vae s PHE 87 CO 0.54 -0.53 1.91 -1.00 0.70 0.00 0.00 175.22 176.84 2vae h PRO 88 N 0.68 0.00 -0.34 0.24 0.13 -1.89 -3.45 132.00 127.38 2vae h PRO 88 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2vae h PRO 88 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2vae h PRO 88 CO 0.61 0.05 0.02 1.49 -0.23 0.00 0.00 178.00 179.94 2vae h GLU 89 N 0.00 0.58 0.00 0.86 4.81 -1.91 -3.35 114.58 115.57 2vae h GLU 89 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2vae h GLU 89 Cb 0.62 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2vae h GLU 89 CO 0.01 0.69 0.00 0.41 -0.73 0.00 0.00 179.01 179.38 2vae n GLY 90 N -0.40 -1.25 3.47 1.92 0.00 0.47 -4.58 105.19 104.82 2vae n GLY 90 Ca -0.02 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 2vae n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vae s PHE 91 N 0.00 -0.15 0.23 1.61 -0.71 -0.69 -1.37 117.98 116.90 2vae s PHE 91 Ca 0.00 -0.18 0.09 0.00 -1.04 0.00 0.00 56.93 55.80 2vae s PHE 91 Cb 0.00 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2vae s PHE 91 CO 0.00 -0.87 -0.06 0.15 -1.34 0.00 0.00 175.22 173.10 2vae s LYS 92 N -3.85 2.14 0.02 1.99 1.02 -0.06 -0.63 119.74 120.37 2vae s LYS 92 Ca 0.08 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2vae s LYS 92 Cb -0.00 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2vae s LYS 92 CO -0.05 0.40 -0.03 1.67 -0.92 0.00 0.00 175.35 176.42 2vae s TRP 93 N -2.05 0.24 0.14 3.18 1.48 -0.50 -0.25 118.94 121.17 2vae s TRP 93 Ca 0.28 -0.47 0.05 0.00 -1.06 0.00 0.00 56.10 54.90 2vae s TRP 93 Cb -0.07 -0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.02 2vae s TRP 93 CO 0.17 -0.17 -0.11 -1.21 -4.06 0.00 0.00 176.95 171.58 2vae s GLU 94 N -1.30 1.03 -0.09 3.25 2.02 -0.17 -0.48 118.70 122.97 2vae s GLU 94 Ca -0.14 -1.37 -0.21 0.00 0.02 0.00 0.00 54.97 53.27 2vae s GLU 94 Cb -0.09 -0.68 0.05 0.00 0.10 0.00 0.00 34.13 33.51 2vae s GLU 94 CO -0.01 0.10 0.50 0.50 0.02 0.00 0.00 175.26 176.37 2vae s ARG 95 N -3.38 0.78 -0.11 1.61 3.52 -0.52 -0.80 118.95 120.05 2vae s ARG 95 Ca 0.13 0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.99 2vae s ARG 95 Cb 0.00 0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 33.73 2vae s ARG 95 CO 0.01 -0.19 -0.10 0.08 -0.81 0.00 0.00 175.30 174.29 2vae s VAL 96 N -0.75 3.40 -0.17 7.11 1.01 -0.05 -0.97 120.40 129.98 2vae s VAL 96 Ca -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2vae s VAL 96 Cb -0.03 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 2vae s VAL 96 CO 0.05 0.54 -0.12 -0.04 0.00 0.00 0.00 175.10 175.53 2vae s MET 97 N 0.00 3.27 -0.33 2.72 -1.94 -0.09 -1.03 119.30 121.89 2vae s MET 97 Ca -0.02 -0.71 -0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2vae s MET 97 Cb -0.14 -2.74 0.04 0.00 2.01 0.00 0.00 34.83 34.00 2vae s MET 97 CO 0.04 -0.05 0.10 -0.80 -0.01 0.00 0.00 175.02 174.30 2vae s ASN 98 N 1.00 5.28 0.21 3.03 0.01 -0.06 -1.74 114.94 122.69 2vae s ASN 98 Ca -0.01 -1.11 -0.12 0.00 -0.71 0.00 0.00 52.86 50.91 2vae s ASN 98 Cb -0.15 -1.86 -0.07 0.00 0.41 0.00 0.00 41.25 39.58 2vae s ASN 98 CO -0.02 -0.31 0.58 -0.36 -1.51 0.00 0.00 177.10 175.47 2vae s PHE 99 N 1.41 3.49 0.42 2.20 0.40 -0.07 -1.32 117.98 124.51 2vae s PHE 99 Ca -0.01 1.00 0.32 0.00 -0.60 0.00 0.00 56.93 57.63 2vae s PHE 99 Cb -0.19 -2.34 1.64 0.00 0.51 0.00 0.00 43.02 42.63 2vae s PHE 99 CO 0.03 0.31 2.12 1.05 0.70 0.00 0.00 175.22 179.43 2vae h GLU 100 N 2.90 0.00 -0.62 0.44 4.11 -1.44 -1.49 114.58 118.48 2vae h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2vae h GLU 100 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2vae h GLU 100 CO 0.67 0.07 0.00 -0.40 0.07 0.00 0.00 179.01 179.43 2vae n ASP 101 N -3.45 3.73 0.00 3.06 5.75 -1.26 -4.93 116.55 119.45 2vae n ASP 101 Ca -0.02 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.50 2vae n ASP 101 Cb 0.21 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2vae n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vae n GLY 102 N 1.10 1.00 3.69 6.12 0.00 -0.56 -4.61 105.19 111.92 2vae n GLY 102 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2vae n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vae n GLY 103 N -1.49 0.48 2.85 -0.02 0.00 -1.16 -4.71 105.19 101.13 2vae n GLY 103 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2vae n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vae s VAL 104 N -1.18 0.03 -0.02 1.61 1.01 -0.28 -0.89 120.40 120.68 2vae s VAL 104 Ca 0.60 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2vae s VAL 104 Cb -0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2vae s VAL 104 CO 0.59 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.89 2vae s VAL 105 N 0.35 1.20 0.08 2.92 1.01 -0.71 -0.90 120.40 124.35 2vae s VAL 105 Ca -0.03 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2vae s VAL 105 Cb -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2vae s VAL 105 CO -0.01 0.34 -0.17 0.42 0.00 0.00 0.00 175.10 175.68 2vae s THR 106 N -0.25 2.88 0.00 3.92 -4.23 -0.63 -0.91 115.64 116.42 2vae s THR 106 Ca 0.04 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2vae s THR 106 Cb -0.07 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 2vae s THR 106 CO -0.00 0.22 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.53 2vae s VAL 107 N -1.05 0.56 -0.01 2.29 1.01 -0.14 -1.40 120.40 121.66 2vae s VAL 107 Ca 0.17 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2vae s VAL 107 Cb -0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 2vae s VAL 107 CO 0.08 0.10 -0.08 0.28 0.00 0.00 0.00 175.10 175.48 2vae s THR 108 N -0.30 0.69 -0.03 3.92 -1.32 -0.39 -1.44 115.64 116.78 2vae s THR 108 Ca 0.01 -0.34 -0.05 0.00 -1.21 0.00 0.00 61.69 60.10 2vae s THR 108 Cb -0.03 -0.60 0.01 0.00 -1.51 0.00 0.00 72.50 70.36 2vae s THR 108 CO -0.00 0.21 0.12 -1.58 -2.21 0.00 0.00 174.62 171.16 2vae s GLN 109 N -0.01 0.25 -0.07 7.08 -0.44 0.37 -0.96 119.66 125.87 2vae s GLN 109 Ca 0.00 -0.03 0.05 0.00 -2.50 0.00 0.00 55.36 52.88 2vae s GLN 109 Cb -0.06 0.11 -0.01 0.00 -1.64 0.00 0.00 33.01 31.42 2vae s GLN 109 CO -0.00 -0.05 -0.24 0.34 0.50 0.00 0.00 175.29 175.85 2vae s ASP 110 N -0.43 3.18 -0.15 6.67 -1.08 0.19 -1.41 116.67 123.63 2vae s ASP 110 Ca -0.05 -0.50 0.01 0.00 -0.52 0.00 0.00 52.55 51.49 2vae s ASP 110 Cb -0.03 -1.02 0.02 0.00 -1.46 0.00 0.00 42.92 40.42 2vae s ASP 110 CO 0.00 0.22 -0.18 -0.44 0.52 0.00 0.00 175.17 175.30 2vae s SER 111 N -0.04 2.89 0.35 -0.34 0.01 0.20 -1.33 113.70 115.44 2vae s SER 111 Ca -0.07 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.67 2vae s SER 111 Cb -0.15 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2vae s SER 111 CO 0.05 -0.00 0.16 -1.54 0.41 0.00 0.00 173.24 172.31 2vae n SER 112 N 4.54 0.80 -3.84 2.44 3.41 -0.43 -1.71 113.62 118.83 2vae n SER 112 Ca -0.19 -2.94 -0.22 0.00 -0.26 0.00 0.00 58.87 55.26 2vae n SER 112 Cb 0.50 1.04 -0.17 0.00 -0.26 0.00 0.00 64.21 65.33 2vae n SER 112 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2vae s LEU 113 N 0.00 0.99 -0.10 1.04 2.96 -1.26 -0.67 118.68 121.64 2vae s LEU 113 Ca 0.22 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2vae s LEU 113 Cb 0.01 -0.49 0.04 0.00 0.50 0.00 0.00 46.19 46.24 2vae s LEU 113 CO 0.16 -0.12 0.03 -1.10 -1.32 0.00 0.00 176.35 174.00 2vae s GLN 114 N 1.47 0.39 -1.50 1.98 -0.21 0.14 -4.83 119.66 117.10 2vae s GLN 114 Ca -0.02 0.06 -0.10 0.00 0.02 0.00 0.00 55.36 55.32 2vae s GLN 114 Cb -0.13 -1.16 0.07 0.00 1.00 0.00 0.00 33.01 32.79 2vae s GLN 114 CO -0.03 -0.41 0.84 -0.25 -2.12 0.00 0.00 175.29 173.32 2vae n ASP 115 N 5.18 -3.40 0.00 5.90 8.00 -1.26 -1.65 116.55 129.32 2vae n ASP 115 Ca -0.06 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2vae n ASP 115 Cb 0.49 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 2vae n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 116 N -1.66 0.63 3.33 0.44 0.00 -1.26 -5.01 105.19 101.65 2vae n GLY 116 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2vae n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vae s PHE 118 N -0.40 3.07 -0.15 0.00 0.08 -0.41 -0.68 117.98 119.48 2vae s PHE 118 Ca 0.04 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2vae s PHE 118 Cb -0.12 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.85 2vae s PHE 118 CO 0.01 -1.52 -0.12 0.42 -0.10 0.00 0.00 175.22 173.91 2vae s ILE 119 N -1.29 1.48 -0.12 0.64 -1.09 0.15 -1.04 121.20 119.93 2vae s ILE 119 Ca 0.54 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2vae s ILE 119 Cb -0.35 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2vae s ILE 119 CO 0.44 0.37 -0.13 -0.31 -1.23 0.00 0.00 174.94 174.08 2vae s TYR 120 N 1.51 2.80 -0.10 3.97 2.02 0.29 -1.32 117.35 126.52 2vae s TYR 120 Ca 0.04 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2vae s TYR 120 Cb -0.13 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2vae s TYR 120 CO -0.10 -0.18 -0.13 0.15 -1.57 0.00 0.00 175.55 173.72 2vae s LYS 121 N 0.25 2.02 -0.04 -0.62 1.02 -0.44 -1.68 119.74 120.24 2vae s LYS 121 Ca -0.09 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.45 2vae s LYS 121 Cb -0.15 -1.76 -0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2vae s LYS 121 CO 0.05 -0.09 -0.15 0.08 -0.92 0.00 0.00 175.35 174.32 2vae s VAL 122 N 1.07 1.29 0.00 3.17 1.01 -0.23 -0.64 120.40 126.07 2vae s VAL 122 Ca -0.06 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2vae s VAL 122 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2vae s VAL 122 CO -0.02 0.38 -0.21 -0.54 0.00 0.00 0.00 175.10 174.71 2vae s LYS 123 N 0.03 1.59 -0.06 2.72 1.02 -0.14 -1.32 119.74 123.58 2vae s LYS 123 Ca -0.03 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 2vae s LYS 123 Cb -0.10 -1.59 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2vae s LYS 123 CO 0.02 0.43 0.11 0.12 -0.92 0.00 0.00 175.35 175.10 2vae s PHE 124 N -0.58 -0.09 -0.16 3.18 2.19 -0.74 -1.26 117.98 120.52 2vae s PHE 124 Ca 0.08 0.42 -0.00 0.00 0.33 0.00 0.00 56.93 57.76 2vae s PHE 124 Cb -0.08 -0.24 0.04 0.00 -1.31 0.00 0.00 43.02 41.43 2vae s PHE 124 CO 0.00 -0.19 -0.08 0.42 1.83 0.00 0.00 175.22 177.20 2vae s ILE 125 N 1.67 1.26 -0.11 3.12 1.01 -0.49 -1.21 121.20 126.45 2vae s ILE 125 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2vae s ILE 125 Cb -0.12 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 2vae s ILE 125 CO -0.05 0.22 -0.17 -0.83 0.00 0.00 0.00 174.94 174.11 2vae s GLY 126 N 1.58 1.47 0.11 6.18 0.00 0.32 -1.61 107.32 115.37 2vae s GLY 126 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2vae s GLY 126 CO -0.08 -0.32 -0.01 -1.34 0.00 0.00 0.00 173.10 171.34 2vae s VAL 127 N 0.18 0.44 -0.89 1.40 -7.23 -0.08 -1.31 120.40 112.92 2vae s VAL 127 Ca -0.10 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2vae s VAL 127 Cb -0.16 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2vae s VAL 127 CO 0.06 -0.72 0.00 -3.20 -0.31 0.00 0.00 175.10 170.93 2vae n ASN 128 N -0.06 -4.11 -4.71 4.85 5.15 -1.26 -1.13 115.26 113.99 2vae n ASN 128 Ca -0.10 0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.67 2vae n ASN 128 Cb 0.62 -2.34 -0.03 0.00 -0.53 0.00 0.00 39.78 37.50 2vae n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2vae s PHE 129 N -2.27 3.48 0.30 1.20 0.08 -1.26 -3.01 117.98 116.49 2vae s PHE 129 Ca 0.00 1.45 -0.29 0.00 0.12 0.00 0.00 56.93 58.20 2vae s PHE 129 Cb 0.00 -3.30 -0.13 0.00 -0.57 0.00 0.00 43.02 39.02 2vae s PHE 129 CO 0.00 -0.77 1.34 -2.30 -0.10 0.00 0.00 175.22 173.39 2vae n PRO 130 N 4.22 2.09 0.26 0.24 -0.02 -1.26 -4.88 135.00 135.66 2vae n PRO 130 Ca 0.08 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2vae n PRO 130 Cb 0.48 -2.35 0.70 0.00 -0.02 0.00 0.00 33.50 32.31 2vae n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vae h SER 131 N 3.27 0.00 -0.62 2.55 4.64 -1.99 -2.08 113.55 119.32 2vae h SER 131 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2vae h SER 131 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2vae h SER 131 CO 0.68 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 2vae n ASP 132 N -4.11 3.90 -4.60 4.97 5.68 -1.26 -4.40 116.55 116.73 2vae n ASP 132 Ca -0.03 -2.13 -0.29 0.00 -0.50 0.00 0.00 54.79 51.85 2vae n ASP 132 Cb 0.16 -0.45 0.13 0.00 -1.14 0.00 0.00 41.12 39.81 2vae n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2vae s GLY 133 N -1.01 1.67 0.50 6.12 0.00 -0.78 -4.81 107.32 109.01 2vae s GLY 133 Ca 0.44 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.53 2vae s GLY 133 CO 0.27 -0.28 2.02 -0.56 0.00 0.00 0.00 173.10 174.55 2vae h PRO 134 N -1.28 0.00 0.07 2.90 0.13 -1.94 -0.61 132.00 131.27 2vae h PRO 134 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2vae h PRO 134 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2vae h PRO 134 CO 0.55 0.15 -0.04 0.28 -0.23 0.00 0.00 178.00 178.71 2vae h VAL 135 N 0.00 1.19 0.00 1.56 2.07 -1.93 0.15 116.25 119.29 2vae h VAL 135 Ca -0.00 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2vae h VAL 135 Cb 0.41 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2vae h VAL 135 CO 0.02 0.32 -0.26 0.24 0.02 0.00 0.00 177.57 177.92 2vae h MET 136 N -0.78 0.00 -0.39 1.57 2.86 -1.75 0.61 114.93 117.05 2vae h MET 136 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2vae h MET 136 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2vae h MET 136 CO 0.02 0.26 0.00 1.04 1.06 0.00 0.00 176.91 179.28 2vae n GLN 137 N -3.42 2.34 -3.61 1.72 1.13 -0.25 -4.59 117.38 110.71 2vae n GLN 137 Ca 0.00 -2.04 -0.23 0.00 -1.94 0.00 0.00 57.00 52.79 2vae n GLN 137 Cb 0.45 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.36 2vae n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vae n LYS 138 N 1.23 -3.40 -0.34 -1.09 5.02 -0.79 -4.92 118.16 113.87 2vae n LYS 138 Ca 0.19 0.62 0.09 0.00 -2.02 0.00 0.00 58.31 57.20 2vae n LYS 138 Cb 0.54 -5.01 0.27 0.00 -0.02 0.00 0.00 35.03 30.80 2vae n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vae n LYS 139 N -4.05 2.93 -3.90 1.97 5.02 -0.03 -5.00 118.16 115.10 2vae n LYS 139 Ca -0.20 -2.50 -0.26 0.00 -2.02 0.00 0.00 58.31 53.33 2vae n LYS 139 Cb 0.64 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2vae n LYS 139 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vae s THR 140 N -1.19 5.31 -0.34 -0.18 -4.23 -1.26 -0.58 115.64 113.17 2vae s THR 140 Ca 0.40 -0.62 0.16 0.00 -1.18 0.00 0.00 61.69 60.45 2vae s THR 140 Cb 0.22 -3.74 0.42 0.00 1.34 0.00 0.00 72.50 70.75 2vae s THR 140 CO 0.25 -0.09 0.89 1.15 -0.54 0.00 0.00 174.62 176.28 2vae n MET 141 N -0.53 1.09 0.00 3.99 0.00 0.62 -4.74 117.12 117.55 2vae n MET 141 Ca -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 57.70 54.40 2vae n MET 141 Cb 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.41 2vae n MET 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vae n GLY 142 N 0.04 1.36 3.85 3.17 0.00 -1.26 -4.63 105.19 107.71 2vae n GLY 142 Ca 0.14 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 2vae n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vae s TRP 143 N -2.94 3.38 0.63 1.61 0.52 -1.26 -1.05 118.94 119.83 2vae s TRP 143 Ca 0.00 1.25 -0.17 0.00 0.02 0.00 0.00 56.10 57.21 2vae s TRP 143 Cb 0.00 -2.56 -0.01 0.00 -1.15 0.00 0.00 33.47 29.75 2vae s TRP 143 CO 0.00 0.09 1.13 -1.21 0.02 0.00 0.00 176.95 176.99 2vae s GLU 144 N -2.95 2.89 0.78 4.98 0.41 -0.33 -4.86 118.70 119.63 2vae s GLU 144 Ca 0.54 1.53 -0.15 0.00 -0.41 0.00 0.00 54.97 56.48 2vae s GLU 144 Cb -0.10 -1.95 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2vae s GLU 144 CO 0.17 -1.20 1.00 -0.35 -0.49 0.00 0.00 175.26 174.39 2vae n PRO 145 N -2.07 0.30 -4.23 0.39 -0.04 -1.26 -4.78 135.00 123.31 2vae n PRO 145 Ca 0.11 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 2vae n PRO 145 Cb 0.51 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 2vae n PRO 145 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2vae s SER 146 N -1.86 0.45 -0.11 3.54 1.04 -0.06 -4.95 113.70 111.75 2vae s SER 146 Ca 0.72 -1.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 2vae s SER 146 Cb -0.31 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2vae s SER 146 CO 0.52 -0.84 0.06 -0.89 0.98 0.00 0.00 173.24 173.08 2vae s THR 147 N -4.04 0.01 0.06 2.02 2.01 -1.26 -1.47 115.64 112.98 2vae s THR 147 Ca 0.39 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 2vae s THR 147 Cb 0.07 -0.45 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 2vae s THR 147 CO 0.13 -0.04 0.51 -0.70 -0.69 0.00 0.00 174.62 173.84 2vae s GLU 148 N 2.11 4.07 -0.30 4.92 2.12 0.27 -4.54 118.70 127.35 2vae s GLU 148 Ca 0.03 0.59 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 2vae s GLU 148 Cb -0.14 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2vae s GLU 148 CO -0.06 0.63 0.10 0.50 -0.54 0.00 0.00 175.26 175.89 2vae s ARG 149 N -1.24 3.16 0.21 4.30 3.00 -0.07 -1.47 118.95 126.84 2vae s ARG 149 Ca 0.29 -0.82 0.09 0.00 -1.00 0.00 0.00 55.73 54.29 2vae s ARG 149 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 34.95 31.30 2vae s ARG 149 CO 0.17 -0.44 -0.05 -0.51 0.00 0.00 0.00 175.30 174.48 2vae s LEU 150 N 1.53 3.09 -0.00 -0.88 1.02 0.15 -1.10 118.68 122.49 2vae s LEU 150 Ca 0.03 -0.59 -0.28 0.00 0.02 0.00 0.00 54.13 53.31 2vae s LEU 150 Cb -0.17 -1.71 0.09 0.00 0.02 0.00 0.00 46.19 44.42 2vae s LEU 150 CO 0.04 0.06 0.75 -0.72 0.02 0.00 0.00 176.35 176.50 2vae s TYR 151 N -1.95 -0.52 0.33 0.29 1.13 -0.47 -1.52 117.35 114.64 2vae s TYR 151 Ca 0.28 0.66 -0.24 0.00 -1.41 0.00 0.00 57.07 56.36 2vae s TYR 151 Cb -0.08 0.48 -0.10 0.00 -1.10 0.00 0.00 41.96 41.16 2vae s TYR 151 CO 0.17 -0.62 0.90 -1.25 -2.51 0.00 0.00 175.55 172.25 2vae s PRO 152 N -2.23 4.44 -0.28 -3.49 0.04 -1.26 -1.33 135.00 130.90 2vae s PRO 152 Ca -0.03 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 61.97 2vae s PRO 152 Cb -0.01 -2.68 0.09 0.00 0.04 0.00 0.00 34.50 31.94 2vae s PRO 152 CO -0.01 0.23 0.78 0.50 0.04 0.00 0.00 177.00 178.55 2vae s ARG 153 N -2.29 0.73 -1.84 4.56 3.52 -0.26 -4.93 118.95 118.44 2vae s ARG 153 Ca 0.51 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2vae s ARG 153 Cb -0.16 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2vae s ARG 153 CO 0.21 -0.10 0.00 -3.47 -0.81 0.00 0.00 175.30 171.13 2vae n ASP 154 N 2.99 -5.78 0.00 -2.12 2.03 -1.26 -1.10 116.55 111.31 2vae n ASP 154 Ca -0.15 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2vae n ASP 154 Cb 0.56 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.11 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vae n GLY 155 N -0.92 0.53 3.53 0.27 0.00 -1.26 -4.99 105.19 102.34 2vae n GLY 155 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2vae n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vae s VAL 156 N -2.24 0.53 -0.14 1.61 -7.23 -0.26 -4.94 120.40 107.73 2vae s VAL 156 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2vae s VAL 156 Cb 0.00 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2vae s VAL 156 CO 0.00 0.00 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.54 2vae s LEU 157 N -3.63 3.33 0.17 1.32 2.96 -0.87 -1.10 118.68 120.85 2vae s LEU 157 Ca 0.22 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2vae s LEU 157 Cb 0.02 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2vae s LEU 157 CO 0.15 0.23 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.69 2vae s LYS 158 N 0.01 1.27 -0.02 1.98 1.02 -0.44 -0.32 119.74 123.24 2vae s LYS 158 Ca 0.01 -1.43 -0.21 0.00 0.02 0.00 0.00 55.97 54.36 2vae s LYS 158 Cb -0.13 -1.26 0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2vae s LYS 158 CO 0.02 0.25 0.45 0.20 -0.92 0.00 0.00 175.35 175.35 2vae s GLY 159 N -2.79 -0.32 0.08 -3.33 0.00 -0.67 -1.36 107.32 98.94 2vae s GLY 159 Ca 0.17 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.59 2vae s GLY 159 CO 0.06 0.40 -0.11 -0.54 0.00 0.00 0.00 173.10 172.92 2vae s GLU 160 N -1.41 0.80 -0.06 2.90 8.01 -0.26 -0.28 118.70 128.39 2vae s GLU 160 Ca -0.12 -1.06 -0.05 0.00 0.01 0.00 0.00 54.97 53.75 2vae s GLU 160 Cb -0.03 -0.56 0.02 0.00 -4.31 0.00 0.00 34.13 29.25 2vae s GLU 160 CO 0.05 0.10 0.15 0.42 0.01 0.00 0.00 175.26 176.00 2vae s ILE 161 N -2.05 -0.01 -0.54 -1.63 1.01 -0.24 -0.89 121.20 116.84 2vae s ILE 161 Ca 0.02 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2vae s ILE 161 Cb -0.05 -0.23 0.08 0.00 0.01 0.00 0.00 42.46 42.26 2vae s ILE 161 CO 0.01 0.02 0.65 -1.00 0.00 0.00 0.00 174.94 174.61 2vae s HIS 162 N 0.40 3.04 0.40 3.97 3.76 -1.26 -0.58 115.29 125.01 2vae s HIS 162 Ca -0.03 -0.73 0.08 0.00 -0.15 0.00 0.00 55.06 54.23 2vae s HIS 162 Cb -0.04 -3.72 -0.01 0.00 1.11 0.00 0.00 32.58 29.92 2vae s HIS 162 CO -0.02 -1.13 0.43 0.15 -0.85 0.00 0.00 174.74 173.32 2vae s LYS 163 N 2.61 2.71 -0.15 1.40 1.02 -0.00 -4.79 119.74 122.54 2vae s LYS 163 Ca 0.13 -1.36 -0.10 0.00 0.02 0.00 0.00 55.97 54.67 2vae s LYS 163 Cb -0.21 -2.55 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 2vae s LYS 163 CO 0.09 -0.14 0.37 0.00 -0.92 0.00 0.00 175.35 174.75 2vae s ALA 164 N -2.38 -0.91 -0.07 5.17 0.00 -1.26 -1.84 121.76 120.47 2vae s ALA 164 Ca 0.49 1.25 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 2vae s ALA 164 Cb -0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 2vae s ALA 164 CO 0.30 -0.22 0.50 -0.51 0.00 0.00 0.00 175.76 175.83 2vae s LEU 165 N 0.92 4.35 0.19 0.00 1.43 0.11 -1.18 118.68 124.49 2vae s LEU 165 Ca -0.06 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.68 2vae s LEU 165 Cb -0.07 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.33 2vae s LEU 165 CO -0.07 0.08 1.01 -0.54 0.23 0.00 0.00 176.35 177.06 2vae s LYS 166 N 0.14 4.71 0.06 1.70 1.02 -0.22 -0.53 119.74 126.62 2vae s LYS 166 Ca 0.27 1.58 -0.12 0.00 0.02 0.00 0.00 55.97 57.72 2vae s LYS 166 Cb -0.16 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.79 2vae s LYS 166 CO 0.13 0.26 0.43 -0.51 -0.92 0.00 0.00 175.35 174.74 2vae s LEU 167 N -0.61 4.39 0.31 3.17 1.43 -0.44 -0.27 118.68 126.65 2vae s LEU 167 Ca 0.46 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 2vae s LEU 167 Cb -0.27 -2.90 0.63 0.00 0.03 0.00 0.00 46.19 43.68 2vae s LEU 167 CO 0.33 0.21 1.85 0.11 0.23 0.00 0.00 176.35 179.09 2vae h LYS 168 N 4.03 0.88 -0.56 1.70 1.57 -1.14 -0.91 116.57 122.15 2vae h LYS 168 Ca -0.50 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.14 2vae h LYS 168 Cb 1.20 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 2vae h LYS 168 CO 0.65 0.58 0.10 -0.25 -0.57 0.00 0.00 179.45 179.96 2vae n ASP 169 N -4.59 4.85 0.00 0.86 8.00 -1.26 -5.03 116.55 119.38 2vae n ASP 169 Ca 0.18 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.57 2vae n ASP 169 Cb 0.37 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2vae n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 170 N -0.01 2.36 1.01 0.44 0.00 -0.34 -5.13 105.19 103.51 2vae n GLY 170 Ca 0.32 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2vae n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vae n GLY 171 N 1.62 -2.95 3.20 -0.02 0.00 -1.26 -4.53 105.19 101.25 2vae n GLY 171 Ca 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.02 2vae n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vae s HIS 172 N -0.68 1.22 -0.17 1.61 3.76 -1.26 -1.33 115.29 118.44 2vae s HIS 172 Ca 0.00 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2vae s HIS 172 Cb 0.00 -0.66 0.03 0.00 1.11 0.00 0.00 32.58 33.06 2vae s HIS 172 CO 0.00 0.07 -0.13 -0.47 -0.85 0.00 0.00 174.74 173.36 2vae s TYR 173 N -2.07 2.32 0.01 1.40 5.04 0.31 -4.91 117.35 119.45 2vae s TYR 173 Ca 0.05 -1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 53.17 2vae s TYR 173 Cb -0.05 -1.64 -0.05 0.00 0.35 0.00 0.00 41.96 40.56 2vae s TYR 173 CO 0.02 -0.71 0.35 -0.51 -1.34 0.00 0.00 175.55 173.36 2vae s LEU 174 N 1.43 4.41 -0.03 6.97 1.43 -1.26 -0.71 118.68 130.92 2vae s LEU 174 Ca 0.03 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2vae s LEU 174 Cb -0.14 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.45 2vae s LEU 174 CO -0.10 0.28 0.06 -0.69 0.23 0.00 0.00 176.35 176.12 2vae s VAL 175 N -1.21 -0.05 -0.21 -1.59 1.01 -0.76 -1.14 120.40 116.45 2vae s VAL 175 Ca 0.26 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 2vae s VAL 175 Cb -0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 2vae s VAL 175 CO 0.14 0.08 0.14 -0.70 0.00 0.00 0.00 175.10 174.76 2vae s GLU 176 N 1.00 4.17 -0.13 2.72 2.12 -0.43 -0.82 118.70 127.32 2vae s GLU 176 Ca -0.08 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 54.97 2vae s GLU 176 Cb -0.11 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2vae s GLU 176 CO -0.03 0.25 0.06 -0.06 -0.54 0.00 0.00 175.26 174.94 2vae s PHE 177 N 0.51 3.32 -0.14 5.30 0.40 0.26 -0.88 117.98 126.76 2vae s PHE 177 Ca 0.08 0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 2vae s PHE 177 Cb -0.12 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2vae s PHE 177 CO -0.00 0.42 -0.15 0.15 0.70 0.00 0.00 175.22 176.34 2vae s LYS 178 N -0.44 2.35 0.16 0.44 1.02 -0.20 -1.08 119.74 121.99 2vae s LYS 178 Ca 0.10 -0.59 0.10 0.00 0.02 0.00 0.00 55.97 55.60 2vae s LYS 178 Cb -0.12 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2vae s LYS 178 CO 0.02 -0.17 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.94 2vae s SER 179 N 1.29 3.05 -0.05 2.83 0.01 0.61 -0.87 113.70 120.57 2vae s SER 179 Ca 0.01 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2vae s SER 179 Cb -0.14 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2vae s SER 179 CO -0.07 0.07 -0.08 -0.63 0.41 0.00 0.00 173.24 172.94 2vae s ILE 180 N -1.62 0.79 -0.17 1.44 1.09 0.02 -1.68 121.20 121.08 2vae s ILE 180 Ca 0.16 -0.28 0.01 0.00 -1.10 0.00 0.00 60.65 59.43 2vae s ILE 180 Cb -0.08 -0.75 0.01 0.00 -1.06 0.00 0.00 42.46 40.58 2vae s ILE 180 CO 0.07 0.28 -0.18 -0.31 -0.10 0.00 0.00 174.94 174.70 2vae s TYR 181 N 0.73 2.77 -0.38 3.97 2.02 0.56 -1.00 117.35 126.02 2vae s TYR 181 Ca -0.12 -1.33 0.02 0.00 -0.37 0.00 0.00 57.07 55.27 2vae s TYR 181 Cb -0.14 -1.90 0.11 0.00 -0.40 0.00 0.00 41.96 39.62 2vae s TYR 181 CO 0.02 -0.64 0.13 -1.64 -1.57 0.00 0.00 175.55 171.85 2vae s MET 182 N 1.06 1.35 0.66 -0.62 -1.94 0.65 -2.06 119.30 118.40 2vae s MET 182 Ca -0.01 -1.85 -0.17 0.00 -1.71 0.00 0.00 55.69 51.96 2vae s MET 182 Cb -0.14 -2.78 -0.00 0.00 2.01 0.00 0.00 34.83 33.92 2vae s MET 182 CO -0.06 -1.02 1.20 0.00 -0.01 0.00 0.00 175.02 175.13 2vae s ALA 183 N 0.75 2.35 -0.08 3.03 0.00 -1.26 -0.88 121.76 125.67 2vae s ALA 183 Ca 0.13 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.28 2vae s ALA 183 Cb -0.21 -3.45 0.80 0.00 0.00 0.00 0.00 23.12 20.26 2vae s ALA 183 CO -0.09 -1.49 1.77 0.87 0.00 0.00 0.00 175.76 176.82 2vae h LYS 184 N 0.30 0.00 -5.72 0.00 1.57 -1.52 -3.43 116.57 107.77 2vae h LYS 184 Ca -0.49 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.81 2vae h LYS 184 Cb 1.29 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.44 2vae h LYS 184 CO 0.53 0.11 -0.76 0.15 -0.57 0.00 0.00 179.45 178.91 2vae s LYS 185 N -3.45 1.26 -1.12 3.15 -0.14 -1.26 -5.06 119.74 113.13 2vae s LYS 185 Ca 0.03 -1.46 -0.13 0.00 -1.36 0.00 0.00 55.97 53.05 2vae s LYS 185 Cb 0.08 -1.20 -0.07 0.00 -1.68 0.00 0.00 37.83 34.96 2vae s LYS 185 CO 0.63 0.22 2.24 -2.30 -0.76 0.00 0.00 175.35 175.38 2vae n PRO 186 N 0.06 2.37 -1.13 -1.68 -0.02 -1.26 -4.93 135.00 128.40 2vae n PRO 186 Ca -0.11 -1.95 -0.29 0.00 -2.02 0.00 0.00 63.50 59.12 2vae n PRO 186 Cb 0.58 -2.83 0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2vae n PRO 186 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vae s VAL 187 N 3.61 2.47 0.30 -1.45 -7.23 -1.26 -4.92 120.40 111.93 2vae s VAL 187 Ca 0.52 0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 2vae s VAL 187 Cb 0.14 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 2vae s VAL 187 CO -0.01 -0.20 1.40 -1.58 -0.31 0.00 0.00 175.10 174.41 2vae s GLN 188 N -4.90 4.27 0.11 4.82 0.74 -1.26 -5.00 119.66 118.45 2vae s GLN 188 Ca 0.64 2.32 -0.05 0.00 0.05 0.00 0.00 55.36 58.33 2vae s GLN 188 Cb -0.19 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 2vae s GLN 188 CO 0.58 -0.36 0.35 -0.51 -0.55 0.00 0.00 175.29 174.80 2vae s LEU 189 N -1.18 4.30 0.97 3.68 1.43 -1.26 -4.26 118.68 122.36 2vae s LEU 189 Ca 0.55 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 54.05 2vae s LEU 189 Cb -0.42 -3.17 0.21 0.00 0.03 0.00 0.00 46.19 42.84 2vae s LEU 189 CO 0.50 0.10 1.33 -2.16 0.23 0.00 0.00 176.35 176.35 2vae s PRO 190 N -2.48 0.54 0.00 1.29 0.04 -1.26 -4.78 135.00 128.36 2vae s PRO 190 Ca 0.38 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2vae s PRO 190 Cb -0.12 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2vae s PRO 190 CO 0.23 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.21 2vae n GLY 191 N -3.80 1.71 3.68 0.56 0.00 -1.26 -4.25 105.19 101.83 2vae n GLY 191 Ca 0.16 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2vae n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vae s TYR 192 N 2.40 2.82 0.38 1.61 5.04 -1.26 -4.34 117.35 124.01 2vae s TYR 192 Ca 0.00 0.86 -0.14 0.00 -2.44 0.00 0.00 57.07 55.35 2vae s TYR 192 Cb 0.00 -3.61 0.05 0.00 0.35 0.00 0.00 41.96 38.75 2vae s TYR 192 CO 0.00 -2.24 0.76 1.52 -1.34 0.00 0.00 175.55 174.25 2vae s TYR 193 N 2.74 0.22 0.09 4.97 1.13 -0.57 -4.84 117.35 121.09 2vae s TYR 193 Ca 0.62 -0.86 0.08 0.00 -1.41 0.00 0.00 57.07 55.49 2vae s TYR 193 Cb -0.28 0.75 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 2vae s TYR 193 CO 0.24 -1.54 -0.20 0.71 -2.51 0.00 0.00 175.55 172.25 2vae s TYR 194 N -2.35 1.68 -0.14 -3.49 1.51 -0.39 -0.68 117.35 113.49 2vae s TYR 194 Ca 0.17 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2vae s TYR 194 Cb -0.05 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2vae s TYR 194 CO 0.12 0.17 -0.14 0.08 -1.11 0.00 0.00 175.55 174.68 2vae s VAL 195 N -1.16 1.51 -0.04 0.71 1.01 -0.54 -0.91 120.40 120.97 2vae s VAL 195 Ca 0.05 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2vae s VAL 195 Cb -0.10 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2vae s VAL 195 CO 0.04 0.45 0.56 -1.81 0.00 0.00 0.00 175.10 174.33 2vae s ASP 196 N 1.49 6.88 0.04 3.32 1.01 -0.59 -0.56 116.67 128.26 2vae s ASP 196 Ca 0.05 1.05 0.01 0.00 0.71 0.00 0.00 52.55 54.37 2vae s ASP 196 Cb -0.13 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 2vae s ASP 196 CO -0.10 0.07 -0.06 -0.44 0.21 0.00 0.00 175.17 174.85 2vae s SER 197 N 0.04 0.65 -0.12 0.27 0.01 -0.54 -1.24 113.70 112.78 2vae s SER 197 Ca 0.30 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 2vae s SER 197 Cb -0.17 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.18 2vae s SER 197 CO 0.15 -0.25 0.16 -0.75 0.41 0.00 0.00 173.24 172.96 2vae s LYS 198 N -1.66 0.06 -0.16 12.44 2.20 0.04 -0.88 119.74 131.79 2vae s LYS 198 Ca -0.11 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2vae s LYS 198 Cb -0.09 -0.66 -0.02 0.00 -1.51 0.00 0.00 37.83 35.54 2vae s LYS 198 CO -0.00 -0.42 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.33 2vae s LEU 199 N 2.28 3.06 -0.04 5.43 2.96 -1.26 -1.54 118.68 129.56 2vae s LEU 199 Ca 0.04 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2vae s LEU 199 Cb -0.13 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2vae s LEU 199 CO -0.07 0.15 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.09 2vae s ASP 200 N 0.48 2.46 -0.36 3.68 1.01 0.24 -4.55 116.67 119.64 2vae s ASP 200 Ca -0.05 -0.40 -0.26 0.00 0.71 0.00 0.00 52.55 52.55 2vae s ASP 200 Cb -0.15 -0.54 0.02 0.00 1.01 0.00 0.00 42.92 43.26 2vae s ASP 200 CO 0.03 0.21 0.95 -0.63 0.21 0.00 0.00 175.17 175.95 2vae s ILE 201 N -0.19 4.56 -0.16 0.77 -1.09 -1.26 -0.60 121.20 123.24 2vae s ILE 201 Ca 0.00 1.29 0.19 0.00 -2.23 0.00 0.00 60.65 59.90 2vae s ILE 201 Cb -0.11 -4.35 -0.10 0.00 -1.58 0.00 0.00 42.46 36.32 2vae s ILE 201 CO 0.01 -0.54 0.86 0.35 -1.23 0.00 0.00 174.94 174.40 2vae n THR 202 N 5.98 0.95 -3.57 2.92 -2.24 -0.00 -4.97 114.28 113.34 2vae n THR 202 Ca 0.08 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.16 2vae n THR 202 Cb 0.48 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 2vae n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vae s SER 203 N -5.58 -0.23 -0.05 3.42 1.04 -1.21 -5.01 113.70 106.08 2vae s SER 203 Ca -0.03 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 2vae s SER 203 Cb 0.09 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.60 2vae s SER 203 CO 0.81 -0.47 0.89 -1.38 0.98 0.00 0.00 173.24 174.07 2vae s HIS 204 N -2.81 -0.38 0.88 5.02 -0.00 -1.26 -0.88 115.29 115.86 2vae s HIS 204 Ca 0.08 0.42 -0.13 0.00 -0.00 0.00 0.00 55.06 55.43 2vae s HIS 204 Cb -0.01 0.50 0.15 0.00 -0.00 0.00 0.00 32.58 33.22 2vae s HIS 204 CO -0.06 -0.50 1.24 0.54 -0.00 0.00 0.00 174.74 175.96 2vae s ASN 205 N -1.97 3.75 0.27 7.38 2.20 -0.63 -4.97 114.94 120.96 2vae s ASN 205 Ca 0.02 0.40 -0.02 0.00 -0.94 0.00 0.00 52.86 52.31 2vae s ASN 205 Cb -0.01 -0.64 0.40 0.00 -2.00 0.00 0.00 41.25 39.00 2vae s ASN 205 CO -0.04 -2.34 1.90 -0.08 -2.94 0.00 0.00 177.10 173.59 2vae h GLU 206 N -1.31 1.16 -0.68 3.55 4.57 -2.02 -2.30 114.58 117.54 2vae h GLU 206 Ca -0.44 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2vae h GLU 206 Cb 1.27 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2vae h GLU 206 CO 0.48 0.76 0.00 -0.40 -1.18 0.00 0.00 179.01 178.68 2vae n ASP 207 N -4.48 4.33 -3.19 1.04 5.75 -1.26 -4.94 116.55 113.80 2vae n ASP 207 Ca 0.14 -2.23 -0.23 0.00 -0.01 0.00 0.00 54.79 52.46 2vae n ASP 207 Cb 0.15 -0.53 0.03 0.00 -1.03 0.00 0.00 41.12 39.74 2vae n ASP 207 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2vae n TYR 208 N 1.34 -2.01 0.58 2.11 4.02 -0.86 -4.41 117.16 117.93 2vae n TYR 208 Ca 0.25 0.56 0.12 0.00 -0.01 0.00 0.00 57.90 58.81 2vae n TYR 208 Cb 0.75 -4.10 0.13 0.00 -0.02 0.00 0.00 39.34 36.10 2vae n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2vae n THR 209 N -4.40 0.28 -3.91 -0.72 -2.24 -1.26 -4.76 114.28 97.26 2vae n THR 209 Ca -0.07 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 2vae n THR 209 Cb 0.59 -0.01 -0.17 0.00 -2.10 0.00 0.00 70.33 68.64 2vae n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2vae s ILE 210 N -3.17 0.39 -0.01 2.28 1.01 -1.26 -0.85 121.20 119.59 2vae s ILE 210 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 2vae s ILE 210 Cb 0.14 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2vae s ILE 210 CO 0.75 0.23 0.03 -0.69 0.00 0.00 0.00 174.94 175.26 2vae s VAL 211 N 1.51 -0.00 -0.01 2.92 1.01 -0.39 -1.61 120.40 123.83 2vae s VAL 211 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2vae s VAL 211 Cb -0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2vae s VAL 211 CO -0.03 0.00 -0.21 -1.61 0.00 0.00 0.00 175.10 173.26 2vae s GLU 212 N 0.05 2.21 0.14 2.72 2.02 -0.06 -0.25 118.70 125.54 2vae s GLU 212 Ca -0.00 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2vae s GLU 212 Cb -0.01 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 2vae s GLU 212 CO -0.00 0.57 -0.13 -0.65 0.02 0.00 0.00 175.26 175.08 2vae s GLN 213 N -0.86 1.07 -0.01 1.61 -0.21 0.25 -0.82 119.66 120.69 2vae s GLN 213 Ca 0.12 -1.35 0.03 0.00 0.02 0.00 0.00 55.36 54.17 2vae s GLN 213 Cb -0.10 -0.83 -0.01 0.00 1.00 0.00 0.00 33.01 33.08 2vae s GLN 213 CO 0.01 0.14 -0.08 -0.47 -2.12 0.00 0.00 175.29 172.76 2vae s TYR 214 N -2.64 0.75 -0.01 0.91 5.04 0.23 -1.48 117.35 120.14 2vae s TYR 214 Ca 0.13 -0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2vae s TYR 214 Cb -0.02 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.81 2vae s TYR 214 CO 0.03 -0.01 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.17 2vae s GLU 215 N -0.22 0.55 -0.09 4.97 2.12 -0.08 -0.59 118.70 125.35 2vae s GLU 215 Ca 0.03 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.20 2vae s GLU 215 Cb -0.03 -0.55 -0.02 0.00 0.26 0.00 0.00 34.13 33.79 2vae s GLU 215 CO -0.00 0.07 -0.14 0.50 -0.54 0.00 0.00 175.26 175.15 2vae s ARG 216 N 0.16 2.97 -0.15 4.30 3.52 -0.59 -1.56 118.95 127.61 2vae s ARG 216 Ca -0.02 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.78 2vae s ARG 216 Cb -0.06 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2vae s ARG 216 CO -0.00 0.40 0.37 0.00 -0.81 0.00 0.00 175.30 175.26 2vae s ALA 217 N -0.15 -0.93 -0.05 6.12 0.00 -0.02 -0.78 121.76 125.96 2vae s ALA 217 Ca -0.01 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2vae s ALA 217 Cb -0.14 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2vae s ALA 217 CO 0.03 -0.21 0.11 -1.21 0.00 0.00 0.00 175.76 174.49 2vae s GLU 218 N 0.69 0.08 0.23 0.00 2.02 -0.37 -1.96 118.70 119.40 2vae s GLU 218 Ca -0.04 0.26 -0.05 0.00 0.02 0.00 0.00 54.97 55.16 2vae s GLU 218 Cb -0.05 -0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.02 2vae s GLU 218 CO -0.05 -0.11 0.48 0.20 0.02 0.00 0.00 175.26 175.80 2vae s GLY 219 N 0.74 1.98 0.07 -1.39 0.00 0.10 -1.54 107.32 107.28 2vae s GLY 219 Ca -0.06 -0.58 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 2vae s GLY 219 CO -0.03 -0.49 0.85 1.09 0.00 0.00 0.00 173.10 174.52 2vae s ARG 220 N -3.20 1.02 0.75 2.90 1.70 -0.09 -4.36 118.95 117.67 2vae s ARG 220 Ca 0.43 -0.44 -0.11 0.00 -0.47 0.00 0.00 55.73 55.13 2vae s ARG 220 Cb -0.11 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2vae s ARG 220 CO 0.27 -0.45 1.08 -1.01 -1.08 0.00 0.00 175.30 174.11 2vae s HIS 221 N -3.30 2.92 0.35 5.89 3.76 -1.26 -1.26 115.29 122.40 2vae s HIS 221 Ca 0.06 1.29 -0.26 0.00 -0.15 0.00 0.00 55.06 56.00 2vae s HIS 221 Cb -0.01 -3.01 -0.13 0.00 1.11 0.00 0.00 32.58 30.54 2vae s HIS 221 CO -0.06 -1.56 0.95 1.58 -0.85 0.00 0.00 174.74 174.80 2vae n HIS 222 N -3.32 1.01 0.31 1.40 -0.00 -1.26 -4.80 115.22 108.57 2vae n HIS 222 Ca 0.07 0.65 0.21 0.00 0.46 0.00 0.00 57.72 59.11 2vae n HIS 222 Cb 0.55 -2.21 1.02 0.00 -0.12 0.00 0.00 29.99 29.23 2vae n HIS 222 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2vae h LEU 223 N 1.69 0.00 -1.17 0.27 3.38 -2.04 -2.43 115.31 115.01 2vae h LEU 223 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2vae h LEU 223 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2vae h LEU 223 CO 0.58 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.60 2vae n PHE 224 N -3.03 0.02 1.48 1.13 0.99 -1.26 -5.31 117.46 111.47 2vae n PHE 224 Ca -0.02 -0.01 0.14 0.00 -0.00 0.00 0.00 57.45 57.56 2vae n PHE 224 Cb 0.15 0.00 0.51 0.00 -1.00 0.00 0.00 39.48 39.14 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04