#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 5.01 0.78 1.34 1.01 -1.26 -4.98 121.20 123.10 2vae s ILE 8 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2vae s ILE 8 Cb 0.00 -4.14 0.08 0.00 0.01 0.00 0.00 42.46 38.41 2vae s ILE 8 CO 0.00 -0.57 1.13 -0.54 0.00 0.00 0.00 174.94 174.96 2vae s LYS 9 N 2.32 1.94 0.49 2.79 -0.14 -1.26 -4.98 119.74 120.90 2vae s LYS 9 Ca 0.14 -0.08 0.25 0.00 -1.36 0.00 0.00 55.97 54.92 2vae s LYS 9 Cb -0.18 -2.03 1.29 0.00 -1.68 0.00 0.00 37.83 35.23 2vae s LYS 9 CO 0.13 -1.53 2.00 0.93 -0.76 0.00 0.00 175.35 176.13 2vae h GLU 10 N -0.93 0.00 -4.99 1.68 5.08 -1.96 -3.41 114.58 110.05 2vae h GLU 10 Ca -0.45 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.32 2vae h GLU 10 Cb 1.32 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.24 2vae h GLU 10 CO 0.61 0.16 -0.84 0.12 -1.00 0.00 0.00 179.01 178.06 2vae s PHE 11 N -4.09 1.92 0.00 4.33 5.36 -1.26 -3.72 117.98 120.51 2vae s PHE 11 Ca -0.02 -0.72 -0.00 0.00 -0.96 0.00 0.00 56.93 55.23 2vae s PHE 11 Cb 0.13 -1.33 -0.00 0.00 -0.34 0.00 0.00 43.02 41.48 2vae s PHE 11 CO 0.61 -0.31 -0.00 -1.64 -1.46 0.00 0.00 175.22 172.42 2vae s MET 12 N 0.43 0.04 0.31 10.12 -1.94 -0.62 -5.01 119.30 122.64 2vae s MET 12 Ca -0.14 -0.07 0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2vae s MET 12 Cb -0.16 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 2vae s MET 12 CO 0.05 -0.01 0.45 1.03 -0.01 0.00 0.00 175.02 176.54 2vae s ARG 13 N -0.18 3.25 0.05 2.03 0.52 -1.26 -1.56 118.95 121.79 2vae s ARG 13 Ca -0.02 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 2vae s ARG 13 Cb -0.01 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2vae s ARG 13 CO -0.00 0.17 -0.03 -0.59 0.02 0.00 0.00 175.30 174.87 2vae s PHE 14 N -2.14 0.50 0.01 -0.53 -0.12 -0.20 -1.26 117.98 114.24 2vae s PHE 14 Ca 0.41 -1.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.37 2vae s PHE 14 Cb -0.09 -0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 41.90 2vae s PHE 14 CO 0.31 -0.36 -0.25 0.15 -0.05 0.00 0.00 175.22 175.02 2vae s LYS 15 N -3.64 1.93 0.01 1.99 1.02 -0.17 -1.03 119.74 119.86 2vae s LYS 15 Ca 0.04 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.07 2vae s LYS 15 Cb 0.06 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2vae s LYS 15 CO -0.09 0.52 -0.04 0.54 -0.92 0.00 0.00 175.35 175.37 2vae s VAL 16 N -0.67 0.25 0.01 3.17 0.11 -0.29 -0.35 120.40 122.63 2vae s VAL 16 Ca 0.10 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2vae s VAL 16 Cb -0.10 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2vae s VAL 16 CO 0.00 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.59 2vae s ARG 17 N -0.77 0.19 -0.02 1.54 1.70 -0.83 -0.43 118.95 120.33 2vae s ARG 17 Ca -0.06 -0.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2vae s ARG 17 Cb -0.05 0.07 -0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2vae s ARG 17 CO -0.00 -0.03 -0.11 1.41 -1.08 0.00 0.00 175.30 175.49 2vae s MET 18 N -0.80 1.02 -0.20 3.89 1.75 -0.01 -0.79 119.30 124.16 2vae s MET 18 Ca -0.09 -0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 53.96 2vae s MET 18 Cb -0.05 -0.95 -0.01 0.00 2.84 0.00 0.00 34.83 36.66 2vae s MET 18 CO -0.00 0.17 -0.07 -1.21 -0.65 0.00 0.00 175.02 173.26 2vae s GLU 19 N 0.01 3.37 0.19 4.11 2.02 -0.62 -1.35 118.70 126.43 2vae s GLU 19 Ca -0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 2vae s GLU 19 Cb -0.07 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 2vae s GLU 19 CO 0.00 -0.10 0.11 0.20 0.02 0.00 0.00 175.26 175.50 2vae s GLY 20 N 1.19 1.39 -0.08 -1.39 0.00 -0.32 -1.86 107.32 106.24 2vae s GLY 20 Ca 0.02 -1.68 -0.10 0.00 0.00 0.00 0.00 44.72 42.97 2vae s GLY 20 CO -0.02 -1.41 0.26 -0.45 0.00 0.00 0.00 173.10 171.47 2vae s SER 21 N -3.16 -0.24 -0.06 1.64 0.15 -0.64 -1.04 113.70 110.35 2vae s SER 21 Ca 0.36 0.43 -0.01 0.00 0.70 0.00 0.00 55.95 57.43 2vae s SER 21 Cb 0.07 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2vae s SER 21 CO 0.10 -0.15 -0.01 -0.69 1.20 0.00 0.00 173.24 173.70 2vae s VAL 22 N -0.13 0.36 -1.62 4.45 1.01 -0.57 -0.78 120.40 123.12 2vae s VAL 22 Ca -0.03 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 2vae s VAL 22 Cb -0.03 -0.49 0.10 0.00 0.00 0.00 0.00 36.38 35.97 2vae s VAL 22 CO 0.01 0.23 0.60 0.59 0.00 0.00 0.00 175.10 176.53 2vae n ASN 23 N 4.79 -1.96 0.00 3.32 4.13 -0.42 -0.37 115.26 124.76 2vae n ASN 23 Ca -0.13 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.08 2vae n ASN 23 Cb 0.50 -2.67 0.00 0.00 -1.54 0.00 0.00 39.78 36.08 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 -1.66 1.73 3.54 7.41 0.00 -1.26 -5.00 105.19 109.95 2vae n GLY 24 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.21 3.07 0.23 1.61 5.04 0.50 -5.07 115.29 117.47 2vae s HIS 25 Ca 0.00 0.16 -0.10 0.00 -1.54 0.00 0.00 55.06 53.58 2vae s HIS 25 Cb 0.00 -3.40 -0.07 0.00 0.04 0.00 0.00 32.58 29.15 2vae s HIS 25 CO 0.00 -0.83 0.56 -1.21 -2.34 0.00 0.00 174.74 170.92 2vae s GLU 26 N 2.96 3.83 0.22 2.88 2.02 -1.26 -1.51 118.70 127.83 2vae s GLU 26 Ca 0.26 0.32 -0.17 0.00 0.02 0.00 0.00 54.97 55.39 2vae s GLU 26 Cb -0.13 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.47 2vae s GLU 26 CO 0.19 0.31 0.55 -0.59 0.02 0.00 0.00 175.26 175.75 2vae s PHE 27 N -1.81 -0.06 0.01 1.61 -0.12 -0.21 -4.42 117.98 112.99 2vae s PHE 27 Ca 0.47 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.06 2vae s PHE 27 Cb -0.11 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 2vae s PHE 27 CO 0.21 -0.99 -0.06 -1.21 -0.05 0.00 0.00 175.22 173.11 2vae s GLU 28 N -3.90 0.47 -0.00 1.99 2.02 -0.30 -1.18 118.70 117.79 2vae s GLU 28 Ca 0.12 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.75 2vae s GLU 28 Cb -0.02 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.82 2vae s GLU 28 CO 0.01 0.10 -0.10 0.42 0.02 0.00 0.00 175.26 175.71 2vae s ILE 29 N -0.55 0.76 0.04 -1.63 1.01 -0.46 -0.68 121.20 119.69 2vae s ILE 29 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2vae s ILE 29 Cb -0.05 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2vae s ILE 29 CO 0.00 0.16 -0.13 -1.61 0.00 0.00 0.00 174.94 173.36 2vae s GLU 30 N -0.38 0.87 0.12 2.79 2.02 -0.35 -0.83 118.70 122.93 2vae s GLU 30 Ca 0.03 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.21 2vae s GLU 30 Cb -0.04 -0.85 0.03 0.00 0.10 0.00 0.00 34.13 33.36 2vae s GLU 30 CO -0.00 0.21 0.40 0.41 0.02 0.00 0.00 175.26 176.29 2vae n GLY 31 N 1.91 1.24 3.28 -1.39 0.00 0.43 -0.50 105.19 110.16 2vae n GLY 31 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.03 0.99 0.32 1.61 -1.05 -0.66 -1.14 118.70 116.74 2vae s GLU 32 Ca 0.08 -0.91 -0.05 0.00 -0.15 0.00 0.00 54.97 53.95 2vae s GLU 32 Cb -0.02 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.09 2vae s GLU 32 CO 0.04 -0.36 0.50 0.41 0.95 0.00 0.00 175.26 176.80 2vae n GLY 33 N -0.15 1.92 3.53 -3.83 0.00 -0.20 -0.38 105.19 106.09 2vae n GLY 33 Ca -0.14 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2vae n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vae s GLU 34 N -2.53 1.17 0.00 1.61 -1.05 -0.43 -1.03 118.70 116.44 2vae s GLU 34 Ca 0.22 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2vae s GLU 34 Cb -0.02 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 2vae s GLU 34 CO 0.16 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.26 2vae n GLY 35 N -0.35 -1.18 2.96 -3.83 0.00 -0.60 -0.53 105.19 101.66 2vae n GLY 35 Ca -0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.39 1.71 0.53 1.61 1.81 -0.12 -1.58 118.95 122.52 2vae s ARG 36 Ca 0.00 -2.26 0.19 0.00 -1.72 0.00 0.00 55.73 51.95 2vae s ARG 36 Cb 0.00 -3.19 1.39 0.00 -0.45 0.00 0.00 34.95 32.71 2vae s ARG 36 CO 0.00 -1.04 2.17 -1.35 -0.68 0.00 0.00 175.30 174.40 2vae h PRO 37 N 6.99 0.00 -0.00 3.54 0.11 -1.79 -1.04 132.00 139.81 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 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2vae h PRO 37 CO 0.61 0.01 -0.42 0.66 -0.21 0.00 0.00 178.00 178.65 2vae n TYR 38 N -4.36 0.00 0.60 0.65 4.02 -1.26 -3.80 117.16 113.01 2vae n TYR 38 Ca -0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.95 2vae n TYR 38 Cb 0.10 -0.29 -0.12 0.00 -0.02 0.00 0.00 39.34 39.01 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 -1.49 0.69 -1.23 -0.72 1.02 -0.47 -4.67 120.64 113.78 2vae n GLU 39 Ca 0.06 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2vae n GLU 39 Cb 0.34 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.44 3.23 0.62 0.00 -0.76 -4.68 105.19 105.46 2vae n GLY 40 Ca 0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 1.52 0.02 2.61 -4.23 -1.21 -0.63 115.64 111.73 2vae s THR 41 Ca 0.00 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.03 2vae s THR 41 Cb 0.00 -1.35 0.09 0.00 1.34 0.00 0.00 72.50 72.58 2vae s THR 41 CO 0.00 0.11 0.75 0.00 -0.54 0.00 0.00 174.62 174.94 2vae s GLN 42 N -1.29 1.01 0.21 3.99 -2.07 -0.65 -0.95 119.66 119.91 2vae s GLN 42 Ca 0.06 -0.18 0.09 0.00 -1.82 0.00 0.00 55.36 53.51 2vae s GLN 42 Cb -0.09 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 2vae s GLN 42 CO 0.02 -0.40 -0.18 0.95 -1.32 0.00 0.00 175.29 174.36 2vae s THR 43 N -2.65 1.99 0.02 3.63 -4.23 0.32 -1.03 115.64 113.69 2vae s THR 43 Ca -0.01 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.32 2vae s THR 43 Cb -0.01 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 2vae s THR 43 CO -0.05 -0.43 0.01 0.00 -0.54 0.00 0.00 174.62 173.61 2vae s ALA 44 N -2.49 0.05 -0.09 3.99 0.00 -0.60 -1.31 121.76 121.32 2vae s ALA 44 Ca 0.22 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 2vae s ALA 44 Cb -0.04 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2vae s ALA 44 CO 0.09 -0.19 -0.06 0.21 0.00 0.00 0.00 175.76 175.81 2vae s LYS 45 N -1.62 1.24 0.07 0.00 2.20 0.49 -0.74 119.74 121.38 2vae s LYS 45 Ca -0.14 -0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 2vae s LYS 45 Cb -0.08 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 2vae s LYS 45 CO -0.01 -0.20 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.04 2vae s LEU 46 N 1.49 2.43 -0.05 5.43 2.01 0.28 -1.66 118.68 128.61 2vae s LEU 46 Ca -0.00 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.61 2vae s LEU 46 Cb -0.13 -1.39 0.01 0.00 0.01 0.00 0.00 46.19 44.68 2vae s LEU 46 CO -0.04 0.23 -0.10 -0.54 1.01 0.00 0.00 176.35 176.91 2vae s LYS 47 N -1.57 1.36 -0.19 1.70 1.02 0.34 -1.27 119.74 121.13 2vae s LYS 47 Ca 0.14 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 2vae s LYS 47 Cb -0.10 -1.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.02 2vae s LYS 47 CO 0.05 0.04 1.20 0.08 -0.92 0.00 0.00 175.35 175.80 2vae s VAL 48 N 0.56 4.40 -0.10 3.17 1.01 0.13 -1.21 120.40 128.35 2vae s VAL 48 Ca -0.11 1.68 0.17 0.00 0.00 0.00 0.00 61.98 63.73 2vae s VAL 48 Cb -0.14 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 31.87 2vae s VAL 48 CO 0.02 -0.17 0.42 0.35 0.00 0.00 0.00 175.10 175.72 2vae n THR 49 N 5.41 0.00 -3.79 3.92 -2.24 0.14 -4.85 114.28 112.87 2vae n THR 49 Ca 0.13 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2vae n THR 49 Cb 0.45 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 2vae n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2vae s LYS 50 N -3.16 0.35 0.00 -0.78 2.20 -1.06 -4.92 119.74 112.37 2vae s LYS 50 Ca -0.05 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 2vae s LYS 50 Cb 0.11 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2vae s LYS 50 CO 0.72 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 2vae n GLY 51 N 2.70 0.48 3.91 5.54 0.00 -1.26 -1.15 105.19 115.40 2vae n GLY 51 Ca -0.14 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.30 1.53 0.52 -0.02 0.00 -1.26 -4.11 107.32 101.68 2vae s GLY 52 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 2vae s GLY 52 CO 0.00 -0.37 1.09 2.56 0.00 0.00 0.00 173.10 176.38 2vae s PRO 53 N -4.58 3.54 0.21 2.90 0.04 -1.26 -5.11 135.00 130.74 2vae s PRO 53 Ca 0.47 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2vae s PRO 53 Cb -0.10 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2vae s PRO 53 CO 0.42 -0.68 1.17 -0.51 0.04 0.00 0.00 177.00 177.45 2vae s LEU 54 N -3.66 4.47 -0.09 -3.56 1.43 -1.26 -4.94 118.68 111.07 2vae s LEU 54 Ca 0.71 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 56.08 2vae s LEU 54 Cb -0.21 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.61 2vae s LEU 54 CO 0.24 -0.32 1.01 -0.81 0.23 0.00 0.00 176.35 176.70 2vae n PRO 55 N 2.16 1.83 -3.98 1.29 -0.04 -1.26 -4.89 135.00 130.10 2vae n PRO 55 Ca 0.03 -0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 62.51 2vae n PRO 55 Cb 0.45 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.29 0.42 0.11 0.54 -0.12 -1.26 -4.67 117.98 111.72 2vae s PHE 56 Ca 0.16 -0.77 -0.31 0.00 -0.05 0.00 0.00 56.93 55.96 2vae s PHE 56 Cb 0.12 0.03 -0.10 0.00 -0.63 0.00 0.00 43.02 42.44 2vae s PHE 56 CO 0.04 -0.84 1.81 0.00 -0.05 0.00 0.00 175.22 176.18 2vae s ALA 57 N -4.00 3.75 0.42 1.99 0.00 0.08 -4.90 121.76 119.10 2vae s ALA 57 Ca 0.21 1.41 0.15 0.00 0.00 0.00 0.00 51.96 53.74 2vae s ALA 57 Cb 0.02 -3.76 1.05 0.00 0.00 0.00 0.00 23.12 20.43 2vae s ALA 57 CO 0.05 -1.21 1.92 2.35 0.00 0.00 0.00 175.76 178.86 2vae h TRP 58 N 8.60 0.49 -0.84 0.00 2.91 -1.95 -2.98 115.95 122.18 2vae h TRP 58 Ca -0.46 0.01 0.21 0.00 1.13 0.00 0.00 58.89 59.79 2vae h TRP 58 Cb 1.22 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.66 2vae h TRP 58 CO 0.79 0.19 0.58 -0.44 -1.03 0.00 0.00 178.44 178.53 2vae h ASP 59 N 0.42 0.22 0.89 2.65 3.32 -1.95 0.48 116.42 122.46 2vae h ASP 59 Ca 0.37 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2vae h ASP 59 Cb 0.85 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2vae h ASP 59 CO -0.12 0.09 -0.04 0.16 -1.72 0.00 0.00 179.24 177.61 2vae h ILE 60 N 0.22 0.11 0.00 0.35 3.07 -1.93 -2.96 117.51 116.37 2vae h ILE 60 Ca 0.42 -0.55 -0.17 0.00 1.55 0.00 0.00 64.86 66.10 2vae h ILE 60 Cb 1.29 1.49 -0.03 0.00 -0.27 0.00 0.00 36.82 39.31 2vae h ILE 60 CO -0.10 0.04 -1.26 -0.07 -1.05 0.00 0.00 178.15 175.71 2vae h LEU 61 N 0.00 0.00 -1.03 0.16 3.38 -1.11 -3.41 115.31 113.29 2vae h LEU 61 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2vae h LEU 61 Cb 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2vae h LEU 61 CO 0.00 0.64 0.64 0.77 0.09 0.00 0.00 178.44 180.59 2vae h SER 62 N 0.00 1.05 0.00 -0.43 4.64 -1.34 -0.25 113.55 117.23 2vae h SER 62 Ca -0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2vae h SER 62 Cb 1.61 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2vae h SER 62 CO 0.06 0.70 0.00 -2.65 -0.87 0.00 0.00 176.83 174.07 2vae n PRO 63 N -4.46 0.88 0.02 4.77 -0.02 -1.26 -2.82 135.00 132.10 2vae n PRO 63 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.73 2vae n PRO 63 Cb 0.13 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.79 0.34 -1.68 -0.52 1.13 -0.10 -4.81 117.38 110.95 2vae n GLN 64 Ca 0.12 -0.04 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 2vae n GLN 64 Cb 0.06 -1.57 -0.02 0.00 0.11 0.00 0.00 30.24 28.82 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 -1.99 2.55 0.00 1.08 3.72 -1.13 -5.00 117.46 116.70 2vae n PHE 65 Ca 0.01 -2.96 0.00 0.00 -0.05 0.00 0.00 57.45 54.45 2vae n PHE 65 Cb 0.45 -2.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 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 2.79 0.00 -0.13 4.37 2.88 -1.26 -5.08 113.62 117.20 2vae n SER 69 Ca 0.69 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.32 2vae n SER 69 Cb 0.25 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.17 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 1.17 0.27 -1.46 4.76 -1.26 -2.29 118.16 119.35 2vae n LYS 70 Ca 0.00 -0.25 0.18 0.00 -2.87 0.00 0.00 58.31 55.36 2vae n LYS 70 Cb 0.00 -1.29 0.81 0.00 -1.84 0.00 0.00 35.03 32.71 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 0.50 0.00 -1.83 -0.18 3.04 -1.96 -3.19 116.25 112.62 2vae h VAL 71 Ca 0.00 -0.29 -0.73 0.00 -1.01 0.00 0.00 66.70 64.67 2vae h VAL 71 Cb 0.11 1.23 -0.25 0.00 -2.01 0.00 0.00 31.29 30.37 2vae h VAL 71 CO 0.00 0.00 0.99 -1.22 -1.01 0.00 0.00 177.57 176.33 2vae n TYR 72 N -2.92 2.69 -3.93 3.17 4.01 -0.97 -4.78 117.16 114.43 2vae n TYR 72 Ca -0.00 -2.30 -0.35 0.00 -0.16 0.00 0.00 57.90 55.09 2vae n TYR 72 Cb 0.21 -1.25 -0.14 0.00 -0.31 0.00 0.00 39.34 37.85 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 -4.34 3.22 0.05 -0.72 1.01 -1.21 -4.23 120.40 114.18 2vae s VAL 73 Ca 0.52 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2vae s VAL 73 Cb 0.39 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 2vae s VAL 73 CO -0.34 0.44 1.64 -0.75 0.00 0.00 0.00 175.10 176.09 2vae s LYS 74 N 1.46 4.20 -0.06 2.72 2.20 -0.88 -4.79 119.74 124.59 2vae s LYS 74 Ca 0.06 2.30 0.06 0.00 -0.36 0.00 0.00 55.97 58.02 2vae s LYS 74 Cb -0.14 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2vae s LYS 74 CO -0.04 -0.74 -0.24 -1.01 -0.36 0.00 0.00 175.35 172.95 2vae s HIS 75 N 2.83 2.46 0.73 4.03 3.76 -1.26 0.48 115.29 128.31 2vae s HIS 75 Ca 0.73 -0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 54.85 2vae s HIS 75 Cb -0.39 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 31.74 2vae s HIS 75 CO 0.32 -0.18 1.14 -1.25 -0.85 0.00 0.00 174.74 173.92 2vae s PRO 76 N -0.22 2.31 0.54 8.40 0.04 -1.26 -4.91 135.00 139.90 2vae s PRO 76 Ca -0.02 1.46 0.28 0.00 0.04 0.00 0.00 61.00 62.76 2vae s PRO 76 Cb -0.13 -1.88 1.44 0.00 0.04 0.00 0.00 34.50 33.96 2vae s PRO 76 CO 0.03 -1.64 1.96 0.00 0.04 0.00 0.00 177.00 177.39 2vae h ALA 77 N -0.50 2.58 -0.13 8.56 0.00 -2.00 -2.15 119.26 125.61 2vae h ALA 77 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vae h ALA 77 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2vae h ALA 77 CO 0.51 -0.79 0.00 -0.40 0.00 0.00 0.00 179.25 178.57 2vae n ASP 78 N -4.29 1.61 -4.18 0.00 5.75 -1.26 -4.66 116.55 109.52 2vae n ASP 78 Ca 0.12 -1.66 -0.34 0.00 -0.01 0.00 0.00 54.79 52.90 2vae n ASP 78 Cb 0.72 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.58 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 -1.83 2.85 0.11 2.12 1.01 -0.81 -5.03 121.20 119.63 2vae s ILE 79 Ca 0.33 -1.15 -0.35 0.00 0.00 0.00 0.00 60.65 59.49 2vae s ILE 79 Cb 0.18 -2.51 -0.15 0.00 0.01 0.00 0.00 42.46 40.00 2vae s ILE 79 CO 0.28 0.11 1.51 -2.65 0.00 0.00 0.00 174.94 174.19 2vae n PRO 80 N 4.64 1.78 -2.89 2.79 -0.02 -1.26 -4.66 135.00 135.38 2vae n PRO 80 Ca -0.16 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.53 2vae n PRO 80 Cb 0.46 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.30 5.54 -0.25 2.55 -0.08 -1.26 -4.27 116.55 122.08 2vae n ASP 81 Ca 0.18 -3.13 0.04 0.00 -1.51 0.00 0.00 54.79 50.37 2vae n ASP 81 Cb 0.25 -1.43 0.13 0.00 2.34 0.00 0.00 41.12 42.41 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 6.26 -0.10 -0.58 -0.67 3.20 -1.90 0.04 116.97 123.22 2vae h TYR 82 Ca 0.28 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.12 2vae h TYR 82 Cb 0.75 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2vae h TYR 82 CO 1.04 -0.24 0.05 0.87 -1.64 0.00 0.00 178.16 178.24 2vae h LYS 83 N 0.09 0.99 -0.45 1.82 1.57 -1.90 -1.75 116.57 116.93 2vae h LYS 83 Ca 0.38 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2vae h LYS 83 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2vae h LYS 83 CO -0.65 0.96 -0.09 0.87 -0.57 0.00 0.00 179.45 179.98 2vae h LYS 84 N 0.89 0.86 -0.24 3.15 1.57 -1.61 -2.91 116.57 118.27 2vae h LYS 84 Ca 0.17 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2vae h LYS 84 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2vae h LYS 84 CO 0.02 0.95 0.21 -0.07 -0.57 0.00 0.00 179.45 179.99 2vae h LEU 85 N 0.69 0.00 -0.82 2.94 3.38 -0.68 -2.36 115.31 118.46 2vae h LEU 85 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vae h LEU 85 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2vae h LEU 85 CO 0.04 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.34 2vae h SER 86 N 0.00 0.00 -3.81 -0.43 4.64 -1.12 -3.45 113.55 109.38 2vae h SER 86 Ca 0.11 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.94 2vae h SER 86 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2vae h SER 86 CO -0.00 0.00 0.18 -0.36 -0.87 0.00 0.00 176.83 175.78 2vae s PHE 87 N -3.38 3.47 -0.07 4.77 0.40 -0.89 -0.44 117.98 121.83 2vae s PHE 87 Ca 0.04 1.14 0.30 0.00 -0.60 0.00 0.00 56.93 57.82 2vae s PHE 87 Cb 0.09 -2.52 1.07 0.00 0.51 0.00 0.00 43.02 42.16 2vae s PHE 87 CO 0.43 -0.17 1.87 -1.00 0.70 0.00 0.00 175.22 177.06 2vae h PRO 88 N 1.19 0.00 -0.22 0.24 0.13 -1.88 -3.45 132.00 128.00 2vae h PRO 88 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.63 0.00 0.02 1.49 -0.23 0.00 0.00 178.00 179.91 2vae h GLU 89 N 0.00 0.38 0.00 0.86 4.81 -1.92 -3.35 114.58 115.36 2vae h GLU 89 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2vae h GLU 89 Cb 0.65 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2vae h GLU 89 CO 0.00 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 2vae n GLY 90 N -0.39 -0.76 3.51 1.92 0.00 0.42 -4.50 105.19 105.39 2vae n GLY 90 Ca -0.04 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 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 0.27 0.17 1.61 -0.71 -0.77 -1.42 117.98 117.13 2vae s PHE 91 Ca 0.00 -0.63 0.09 0.00 -1.04 0.00 0.00 56.93 55.35 2vae s PHE 91 Cb 0.00 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 2vae s PHE 91 CO 0.00 -0.90 -0.13 0.15 -1.34 0.00 0.00 175.22 172.99 2vae s LYS 92 N -3.97 1.93 0.06 1.99 1.02 -0.10 -0.74 119.74 119.92 2vae s LYS 92 Ca 0.18 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 54.93 2vae s LYS 92 Cb 0.00 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2vae s LYS 92 CO 0.04 0.44 -0.10 1.67 -0.92 0.00 0.00 175.35 176.49 2vae s TRP 93 N -1.56 0.89 0.13 3.18 1.48 -0.66 -0.24 118.94 122.16 2vae s TRP 93 Ca 0.23 -0.54 0.04 0.00 -1.06 0.00 0.00 56.10 54.76 2vae s TRP 93 Cb -0.09 -0.51 -0.04 0.00 -1.16 0.00 0.00 33.47 31.66 2vae s TRP 93 CO 0.13 -0.04 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.69 2vae s GLU 94 N -1.95 0.98 -0.15 3.25 2.02 0.03 -0.67 118.70 122.22 2vae s GLU 94 Ca -0.04 -1.40 -0.24 0.00 0.02 0.00 0.00 54.97 53.30 2vae s GLU 94 Cb -0.08 -0.48 0.06 0.00 0.10 0.00 0.00 34.13 33.73 2vae s GLU 94 CO 0.01 0.04 0.61 0.50 0.02 0.00 0.00 175.26 176.44 2vae s ARG 95 N -3.74 0.84 -0.10 1.61 3.52 -0.55 -0.84 118.95 119.69 2vae s ARG 95 Ca 0.15 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 2vae s ARG 95 Cb 0.03 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.81 2vae s ARG 95 CO -0.01 -0.19 -0.13 0.14 -0.81 0.00 0.00 175.30 174.30 2vae s VAL 96 N -0.40 3.10 -0.20 7.11 -7.23 -0.00 -1.35 120.40 121.43 2vae s VAL 96 Ca -0.05 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 2vae s VAL 96 Cb -0.03 -2.27 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 2vae s VAL 96 CO 0.05 0.55 -0.10 -0.04 -0.31 0.00 0.00 175.10 175.25 2vae s MET 97 N -0.14 3.27 -0.37 4.82 -1.94 -0.22 -1.04 119.30 123.67 2vae s MET 97 Ca -0.01 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.19 2vae s MET 97 Cb -0.14 -2.85 0.05 0.00 2.01 0.00 0.00 34.83 33.90 2vae s MET 97 CO 0.03 -0.17 0.19 -0.80 -0.01 0.00 0.00 175.02 174.26 2vae s ASN 98 N 1.33 5.56 0.25 3.03 0.01 -0.06 -1.42 114.94 123.63 2vae s ASN 98 Ca 0.04 -1.20 -0.12 0.00 -0.71 0.00 0.00 52.86 50.88 2vae s ASN 98 Cb -0.14 -1.96 -0.08 0.00 0.41 0.00 0.00 41.25 39.48 2vae s ASN 98 CO -0.05 -0.41 0.60 -0.36 -1.51 0.00 0.00 177.10 175.37 2vae s PHE 99 N 1.46 3.43 0.18 2.20 0.40 -0.30 -1.01 117.98 124.35 2vae s PHE 99 Ca 0.01 0.99 0.34 0.00 -0.60 0.00 0.00 56.93 57.67 2vae s PHE 99 Cb -0.20 -2.35 1.45 0.00 0.51 0.00 0.00 43.02 42.43 2vae s PHE 99 CO 0.04 0.24 2.02 1.05 0.70 0.00 0.00 175.22 179.26 2vae h GLU 100 N 2.56 0.00 -0.64 0.44 4.11 -1.53 -1.66 114.58 117.85 2vae h GLU 100 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2vae h GLU 100 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2vae h GLU 100 CO 0.68 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.38 2vae n ASP 101 N -3.14 4.20 0.00 3.06 5.75 -1.26 -4.93 116.55 120.23 2vae n ASP 101 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2vae n ASP 101 Cb 0.29 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.98 0.84 3.75 6.12 0.00 -0.63 -4.61 105.19 111.64 2vae n GLY 102 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2vae n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vae s GLY 103 N -2.14 2.89 -0.03 -0.02 0.00 -1.19 -4.73 107.32 102.10 2vae s GLY 103 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 2vae s GLY 103 CO 0.00 1.87 0.05 0.14 0.00 0.00 0.00 173.10 175.16 2vae s VAL 104 N -1.30 -0.05 -0.03 1.40 1.01 -0.33 -1.15 120.40 119.96 2vae s VAL 104 Ca 0.72 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.94 2vae s VAL 104 Cb -0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2vae s VAL 104 CO 0.48 0.07 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 2vae s VAL 105 N 0.91 1.85 0.14 2.92 1.01 -0.51 -0.95 120.40 125.77 2vae s VAL 105 Ca -0.07 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.02 2vae s VAL 105 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2vae s VAL 105 CO -0.03 0.52 -0.17 0.42 0.00 0.00 0.00 175.10 175.84 2vae s THR 106 N -0.36 2.85 0.01 3.92 -4.23 -0.42 -1.06 115.64 116.34 2vae s THR 106 Ca 0.04 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2vae s THR 106 Cb -0.11 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2vae s THR 106 CO 0.01 0.03 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.42 2vae s VAL 107 N -1.31 0.03 -0.02 2.29 1.01 -0.46 -1.40 120.40 120.55 2vae s VAL 107 Ca 0.20 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2vae s VAL 107 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2vae s VAL 107 CO 0.11 -0.14 -0.03 0.28 0.00 0.00 0.00 175.10 175.32 2vae s THR 108 N -0.41 0.30 -0.02 3.92 -1.32 -0.52 -1.48 115.64 116.11 2vae s THR 108 Ca -0.04 -0.08 -0.03 0.00 -1.21 0.00 0.00 61.69 60.32 2vae s THR 108 Cb -0.03 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 2vae s THR 108 CO -0.00 0.12 0.07 -1.58 -2.21 0.00 0.00 174.62 171.02 2vae s GLN 109 N 0.38 0.16 -0.09 7.08 -0.44 0.16 -0.73 119.66 126.19 2vae s GLN 109 Ca -0.04 -0.05 0.04 0.00 -2.50 0.00 0.00 55.36 52.80 2vae s GLN 109 Cb -0.07 0.07 0.00 0.00 -1.64 0.00 0.00 33.01 31.37 2vae s GLN 109 CO -0.01 -0.03 -0.22 0.34 0.50 0.00 0.00 175.29 175.88 2vae s ASP 110 N -0.33 2.82 -0.19 6.67 -1.08 0.01 -1.65 116.67 122.91 2vae s ASP 110 Ca -0.04 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.49 2vae s ASP 110 Cb -0.03 -1.23 0.02 0.00 -1.46 0.00 0.00 42.92 40.22 2vae s ASP 110 CO 0.00 0.14 -0.17 -0.44 0.52 0.00 0.00 175.17 175.22 2vae s SER 111 N 0.35 3.34 0.36 -0.34 0.01 0.08 -1.36 113.70 116.14 2vae s SER 111 Ca -0.17 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.51 2vae s SER 111 Cb -0.17 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2vae s SER 111 CO 0.07 -0.01 0.13 -1.20 0.41 0.00 0.00 173.24 172.64 2vae n SER 112 N 4.65 1.23 -3.75 2.44 7.64 -0.26 -1.85 113.62 123.72 2vae n SER 112 Ca -0.20 -2.90 -0.18 0.00 1.01 0.00 0.00 58.87 56.60 2vae n SER 112 Cb 0.50 0.89 -0.17 0.00 -1.01 0.00 0.00 64.21 64.42 2vae n SER 112 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2vae s LEU 113 N 0.00 0.76 -0.18 -3.43 2.96 -1.26 -0.55 118.68 116.98 2vae s LEU 113 Ca 0.18 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2vae s LEU 113 Cb 0.01 -0.17 0.06 0.00 0.50 0.00 0.00 46.19 46.58 2vae s LEU 113 CO 0.13 -0.16 0.04 -1.58 -1.32 0.00 0.00 176.35 173.45 2vae s GLN 114 N 1.49 0.60 -1.46 1.98 0.74 0.11 -4.86 119.66 118.26 2vae s GLN 114 Ca -0.04 -0.34 -0.06 0.00 0.05 0.00 0.00 55.36 54.98 2vae s GLN 114 Cb -0.13 -1.97 0.04 0.00 1.10 0.00 0.00 33.01 32.05 2vae s GLN 114 CO -0.03 -0.61 0.64 -0.25 -0.55 0.00 0.00 175.29 174.50 2vae n ASP 115 N 5.08 -1.82 0.00 6.67 8.00 -1.26 -1.67 116.55 131.56 2vae n ASP 115 Ca -0.09 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2vae n ASP 115 Cb 0.48 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.74 0.76 3.31 0.44 0.00 -1.26 -5.03 105.19 101.66 2vae n GLY 116 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 0.17 2.79 -0.15 0.00 0.08 -0.39 -0.71 117.98 119.78 2vae s PHE 118 Ca -0.11 1.55 -0.00 0.00 0.12 0.00 0.00 56.93 58.49 2vae s PHE 118 Cb -0.16 -3.26 0.03 0.00 -0.57 0.00 0.00 43.02 39.06 2vae s PHE 118 CO 0.06 -1.38 -0.09 0.42 -0.10 0.00 0.00 175.22 174.13 2vae s ILE 119 N -1.76 1.25 -0.11 0.64 -1.09 0.28 -0.99 121.20 119.41 2vae s ILE 119 Ca 0.69 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2vae s ILE 119 Cb -0.23 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.33 2vae s ILE 119 CO 0.27 0.30 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.85 2vae s TYR 120 N 1.60 2.84 -0.08 3.97 2.02 0.52 -1.10 117.35 127.11 2vae s TYR 120 Ca 0.03 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2vae s TYR 120 Cb -0.14 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2vae s TYR 120 CO -0.09 -0.06 -0.10 0.15 -1.57 0.00 0.00 175.55 173.89 2vae s LYS 121 N 0.04 1.58 -0.02 -0.62 1.02 -0.46 -1.96 119.74 119.32 2vae s LYS 121 Ca -0.04 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.67 2vae s LYS 121 Cb -0.14 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.71 2vae s LYS 121 CO 0.04 -0.10 -0.17 0.08 -0.92 0.00 0.00 175.35 174.28 2vae s VAL 122 N 1.12 1.35 -0.03 3.17 1.01 0.03 -0.81 120.40 126.23 2vae s VAL 122 Ca -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2vae s VAL 122 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2vae s VAL 122 CO -0.02 0.39 -0.21 -0.54 0.00 0.00 0.00 175.10 174.71 2vae s LYS 123 N -0.22 1.89 -0.03 2.72 1.02 0.09 -1.59 119.74 123.63 2vae s LYS 123 Ca 0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 2vae s LYS 123 Cb -0.08 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2vae s LYS 123 CO 0.00 0.42 0.06 0.12 -0.92 0.00 0.00 175.35 175.03 2vae s PHE 124 N -0.36 -0.01 -0.12 3.18 2.19 -0.78 -1.44 117.98 120.64 2vae s PHE 124 Ca 0.04 0.23 -0.01 0.00 0.33 0.00 0.00 56.93 57.53 2vae s PHE 124 Cb -0.10 -0.25 0.03 0.00 -1.31 0.00 0.00 43.02 41.39 2vae s PHE 124 CO 0.00 -0.13 -0.06 0.42 1.83 0.00 0.00 175.22 177.28 2vae s ILE 125 N 1.32 0.97 -0.09 3.12 1.01 -0.49 -1.62 121.20 125.40 2vae s ILE 125 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2vae s ILE 125 Cb -0.13 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2vae s ILE 125 CO -0.04 0.32 -0.20 -0.83 0.00 0.00 0.00 174.94 174.19 2vae s GLY 126 N 1.73 1.41 0.05 6.18 0.00 0.04 -1.30 107.32 115.42 2vae s GLY 126 Ca 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 2vae s GLY 126 CO -0.08 -0.44 -0.00 -1.34 0.00 0.00 0.00 173.10 171.24 2vae s VAL 127 N 0.05 0.19 -0.77 1.40 -7.23 -0.12 -1.30 120.40 112.62 2vae s VAL 127 Ca -0.08 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2vae s VAL 127 Cb -0.15 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2vae s VAL 127 CO 0.05 -0.86 0.00 -3.20 -0.31 0.00 0.00 175.10 170.78 2vae n ASN 128 N 0.37 -3.59 -4.70 4.85 5.15 -1.26 -1.19 115.26 114.89 2vae n ASN 128 Ca -0.16 0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.53 2vae n ASN 128 Cb 0.60 -2.10 -0.03 0.00 -0.53 0.00 0.00 39.78 37.72 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 -2.31 3.42 0.33 1.20 0.08 -1.26 -3.18 117.98 116.25 2vae s PHE 129 Ca 0.00 1.38 -0.29 0.00 0.12 0.00 0.00 56.93 58.14 2vae s PHE 129 Cb 0.00 -3.34 -0.12 0.00 -0.57 0.00 0.00 43.02 38.99 2vae s PHE 129 CO 0.00 -0.95 1.36 -2.30 -0.10 0.00 0.00 175.22 173.22 2vae n PRO 130 N 4.36 2.24 0.24 0.24 -0.02 -1.26 -4.87 135.00 135.93 2vae n PRO 130 Ca 0.09 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.45 2vae n PRO 130 Cb 0.47 -2.41 0.61 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.97 0.00 -0.63 2.55 4.64 -1.99 -2.10 113.55 119.00 2vae h SER 131 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2vae h SER 131 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2vae h SER 131 CO 0.66 0.17 0.00 -0.90 -0.87 0.00 0.00 176.83 175.89 2vae n ASP 132 N -3.88 3.71 -4.65 4.97 3.85 -1.26 -4.48 116.55 114.81 2vae n ASP 132 Ca -0.02 -1.99 -0.27 0.00 -0.71 0.00 0.00 54.79 51.79 2vae n ASP 132 Cb 0.26 -0.42 0.11 0.00 -1.35 0.00 0.00 41.12 39.73 2vae n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2vae s GLY 133 N -1.05 1.71 0.49 6.12 0.00 -0.79 -4.82 107.32 108.98 2vae s GLY 133 Ca 0.43 -1.07 0.22 0.00 0.00 0.00 0.00 44.72 44.31 2vae s GLY 133 CO 0.30 -0.52 2.02 -0.56 0.00 0.00 0.00 173.10 174.35 2vae h PRO 134 N -0.99 0.00 0.22 2.90 0.13 -1.95 -1.02 132.00 131.29 2vae h PRO 134 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.52 0.16 -0.10 0.28 -0.23 0.00 0.00 178.00 178.63 2vae h VAL 135 N 0.00 0.69 0.00 1.56 2.07 -1.94 0.70 116.25 119.33 2vae h VAL 135 Ca -0.00 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2vae h VAL 135 Cb 0.37 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2vae h VAL 135 CO 0.02 0.17 -0.11 0.24 0.02 0.00 0.00 177.57 177.91 2vae h MET 136 N -0.89 0.00 -0.18 1.57 2.86 -1.75 0.32 114.93 116.86 2vae h MET 136 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2vae h MET 136 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2vae h MET 136 CO 0.05 0.11 0.00 1.04 1.06 0.00 0.00 176.91 179.17 2vae n GLN 137 N -3.30 2.35 -3.50 1.72 1.13 -0.40 -4.60 117.38 110.78 2vae n GLN 137 Ca -0.00 -1.99 -0.19 0.00 -1.94 0.00 0.00 57.00 52.88 2vae n GLN 137 Cb 0.33 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.27 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 1.31 -5.11 -0.30 -1.09 5.02 -0.78 -4.91 118.16 112.29 2vae n LYS 138 Ca 0.17 0.76 0.10 0.00 -2.02 0.00 0.00 58.31 57.31 2vae n LYS 138 Cb 0.58 -5.55 0.26 0.00 -0.02 0.00 0.00 35.03 30.30 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 -4.04 2.77 -3.58 1.97 4.76 0.17 -4.99 118.16 115.22 2vae n LYS 139 Ca -0.25 -2.43 -0.28 0.00 -2.87 0.00 0.00 58.31 52.48 2vae n LYS 139 Cb 0.66 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.36 2vae n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vae s THR 140 N -1.01 5.15 -0.30 -0.18 -4.23 -1.26 -0.93 115.64 112.88 2vae s THR 140 Ca 0.39 -0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.82 2vae s THR 140 Cb 0.21 -3.74 0.48 0.00 1.34 0.00 0.00 72.50 70.79 2vae s THR 140 CO 0.27 -0.23 1.10 0.23 -0.54 0.00 0.00 174.62 175.44 2vae n MET 141 N -0.78 2.26 0.00 3.99 2.81 0.11 -4.78 117.12 120.72 2vae n MET 141 Ca -0.04 -3.73 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 2vae n MET 141 Cb 0.54 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2vae n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vae n GLY 142 N -0.50 0.66 3.84 3.03 0.00 -1.26 -4.59 105.19 106.37 2vae n GLY 142 Ca 0.20 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.49 3.57 0.65 1.61 0.52 -1.26 -0.92 118.94 120.62 2vae s TRP 143 Ca 0.00 1.14 -0.17 0.00 0.02 0.00 0.00 56.10 57.10 2vae s TRP 143 Cb 0.00 -2.44 -0.00 0.00 -1.15 0.00 0.00 33.47 29.88 2vae s TRP 143 CO 0.00 0.35 1.18 -1.21 0.02 0.00 0.00 176.95 177.29 2vae s GLU 144 N -2.17 2.68 0.68 4.98 0.41 -0.31 -4.86 118.70 120.11 2vae s GLU 144 Ca 0.42 1.69 -0.17 0.00 -0.41 0.00 0.00 54.97 56.50 2vae s GLU 144 Cb -0.14 -1.91 -0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2vae s GLU 144 CO 0.20 -1.40 1.04 -2.30 -0.49 0.00 0.00 175.26 172.31 2vae n PRO 145 N -2.14 0.71 -4.33 0.39 -0.02 -1.26 -4.76 135.00 123.59 2vae n PRO 145 Ca 0.13 0.30 -0.17 0.00 -2.02 0.00 0.00 63.50 61.73 2vae n PRO 145 Cb 0.50 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2vae n PRO 145 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2vae s SER 146 N -1.51 1.34 -0.07 2.55 1.04 0.05 -4.96 113.70 112.13 2vae s SER 146 Ca 0.76 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2vae s SER 146 Cb -0.37 0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2vae s SER 146 CO 0.47 -0.76 0.05 -0.89 0.98 0.00 0.00 173.24 173.09 2vae s THR 147 N -3.70 0.04 -0.02 2.02 2.01 -1.26 -0.97 115.64 113.76 2vae s THR 147 Ca 0.37 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.51 2vae s THR 147 Cb 0.07 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 2vae s THR 147 CO 0.14 0.15 0.34 -0.70 -0.69 0.00 0.00 174.62 173.86 2vae s GLU 148 N 2.11 3.80 -0.28 4.92 2.12 0.23 -4.53 118.70 127.06 2vae s GLU 148 Ca 0.05 0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 2vae s GLU 148 Cb -0.13 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2vae s GLU 148 CO -0.04 0.71 0.13 0.50 -0.54 0.00 0.00 175.26 176.01 2vae s ARG 149 N -1.12 3.63 0.18 4.30 3.00 0.08 -1.40 118.95 127.62 2vae s ARG 149 Ca 0.22 -0.52 0.08 0.00 -1.00 0.00 0.00 55.73 54.52 2vae s ARG 149 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 34.95 31.26 2vae s ARG 149 CO 0.11 -0.26 -0.07 -0.51 0.00 0.00 0.00 175.30 174.57 2vae s LEU 150 N 1.65 3.06 0.02 -0.88 1.02 0.28 -1.09 118.68 122.73 2vae s LEU 150 Ca 0.06 -0.53 -0.28 0.00 0.02 0.00 0.00 54.13 53.40 2vae s LEU 150 Cb -0.16 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.40 2vae s LEU 150 CO 0.06 0.10 0.72 -0.72 0.02 0.00 0.00 176.35 176.53 2vae s TYR 151 N -1.70 -0.54 0.26 0.29 1.13 -0.41 -1.73 117.35 114.65 2vae s TYR 151 Ca 0.25 0.66 -0.25 0.00 -1.41 0.00 0.00 57.07 56.33 2vae s TYR 151 Cb -0.09 0.48 -0.09 0.00 -1.10 0.00 0.00 41.96 41.16 2vae s TYR 151 CO 0.16 -0.65 0.87 -1.25 -2.51 0.00 0.00 175.55 172.17 2vae s PRO 152 N -2.34 4.55 -0.25 -3.49 0.04 -1.26 -1.17 135.00 131.08 2vae s PRO 152 Ca -0.03 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 2vae s PRO 152 Cb -0.01 -2.96 0.07 0.00 0.04 0.00 0.00 34.50 31.64 2vae s PRO 152 CO -0.02 0.39 0.65 0.50 0.04 0.00 0.00 177.00 178.56 2vae s ARG 153 N -1.77 0.73 -1.50 4.56 3.52 -0.38 -4.94 118.95 119.18 2vae s ARG 153 Ca 0.45 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 2vae s ARG 153 Cb -0.20 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 2vae s ARG 153 CO 0.25 -0.11 0.00 -0.25 -0.81 0.00 0.00 175.30 174.38 2vae n ASP 154 N 3.10 -4.91 0.00 -2.12 10.43 -1.26 -1.41 116.55 120.38 2vae n ASP 154 Ca -0.15 0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.31 2vae n ASP 154 Cb 0.56 -3.98 0.00 0.00 1.84 0.00 0.00 41.12 39.54 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2vae n GLY 155 N -1.00 0.40 3.55 0.44 0.00 -1.26 -5.00 105.19 102.33 2vae n GLY 155 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.95 0.66 -0.15 1.61 -7.23 -0.50 -4.88 120.40 107.97 2vae s VAL 156 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2vae s VAL 156 Cb 0.00 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2vae s VAL 156 CO 0.00 0.00 0.01 -0.22 -0.31 0.00 0.00 175.10 174.58 2vae s LEU 157 N -3.65 3.54 0.14 1.32 2.96 -0.94 -1.24 118.68 120.80 2vae s LEU 157 Ca 0.21 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2vae s LEU 157 Cb 0.02 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2vae s LEU 157 CO 0.13 0.23 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.67 2vae s LYS 158 N 0.02 1.15 -0.04 1.98 1.02 -0.32 -0.47 119.74 123.08 2vae s LYS 158 Ca 0.03 -1.29 -0.20 0.00 0.02 0.00 0.00 55.97 54.53 2vae s LYS 158 Cb -0.13 -1.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2vae s LYS 158 CO 0.02 0.25 0.44 0.20 -0.92 0.00 0.00 175.35 175.34 2vae s GLY 159 N -2.41 -0.31 0.09 -3.33 0.00 -0.59 -1.28 107.32 99.49 2vae s GLY 159 Ca 0.11 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.58 2vae s GLY 159 CO 0.05 0.46 -0.09 -0.54 0.00 0.00 0.00 173.10 172.97 2vae s GLU 160 N -1.18 0.82 -0.08 2.90 8.01 -0.25 -0.41 118.70 128.50 2vae s GLU 160 Ca -0.12 -1.14 -0.07 0.00 0.01 0.00 0.00 54.97 53.65 2vae s GLU 160 Cb -0.03 -0.47 0.02 0.00 -4.31 0.00 0.00 34.13 29.34 2vae s GLU 160 CO 0.06 0.07 0.21 0.42 0.01 0.00 0.00 175.26 176.03 2vae s ILE 161 N -2.49 -0.01 -0.49 -1.63 1.01 -0.53 -0.74 121.20 116.32 2vae s ILE 161 Ca 0.05 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 2vae s ILE 161 Cb -0.02 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 42.19 2vae s ILE 161 CO -0.01 0.01 0.58 -1.00 0.00 0.00 0.00 174.94 174.53 2vae s HIS 162 N 0.32 3.09 0.41 3.97 3.76 -1.26 -0.81 115.29 124.76 2vae s HIS 162 Ca -0.02 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 2vae s HIS 162 Cb -0.03 -3.43 -0.03 0.00 1.11 0.00 0.00 32.58 30.20 2vae s HIS 162 CO -0.01 -0.97 0.31 0.15 -0.85 0.00 0.00 174.74 173.37 2vae s LYS 163 N 2.47 2.46 -0.20 1.40 1.02 0.15 -4.78 119.74 122.26 2vae s LYS 163 Ca 0.14 -1.60 -0.13 0.00 0.02 0.00 0.00 55.97 54.40 2vae s LYS 163 Cb -0.19 -2.28 0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2vae s LYS 163 CO 0.12 -0.14 0.49 0.00 -0.92 0.00 0.00 175.35 174.90 2vae s ALA 164 N -2.49 -1.27 -0.05 5.17 0.00 -1.26 -1.60 121.76 120.25 2vae s ALA 164 Ca 0.45 1.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.95 2vae s ALA 164 Cb -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2vae s ALA 164 CO 0.26 -0.28 0.40 -0.51 0.00 0.00 0.00 175.76 175.63 2vae s LEU 165 N 1.15 4.39 0.33 0.00 1.43 0.13 -1.17 118.68 124.94 2vae s LEU 165 Ca -0.07 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.61 2vae s LEU 165 Cb -0.06 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2vae s LEU 165 CO -0.11 0.22 1.08 -0.54 0.23 0.00 0.00 176.35 177.23 2vae s LYS 166 N -0.44 4.44 -0.12 1.70 1.02 -0.10 -0.66 119.74 125.58 2vae s LYS 166 Ca 0.23 1.68 -0.07 0.00 0.02 0.00 0.00 55.97 57.84 2vae s LYS 166 Cb -0.16 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2vae s LYS 166 CO 0.11 0.06 0.13 -0.51 -0.92 0.00 0.00 175.35 174.23 2vae s LEU 167 N -1.94 4.34 0.28 3.17 1.43 -0.62 0.05 118.68 125.38 2vae s LEU 167 Ca 0.50 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2vae s LEU 167 Cb -0.28 -2.06 0.66 0.00 0.03 0.00 0.00 46.19 44.54 2vae s LEU 167 CO 0.35 0.41 1.72 0.11 0.23 0.00 0.00 176.35 179.17 2vae h LYS 168 N 4.97 0.47 -0.52 1.70 1.57 -1.34 -0.83 116.57 122.60 2vae h LYS 168 Ca -0.55 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2vae h LYS 168 Cb 1.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2vae h LYS 168 CO 0.58 0.31 0.00 -0.25 -0.57 0.00 0.00 179.45 179.52 2vae n ASP 169 N -4.98 2.55 0.00 0.86 8.00 -1.26 -5.01 116.55 116.71 2vae n ASP 169 Ca 0.20 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2vae n ASP 169 Cb 0.58 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.86 1.61 6.59 0.44 0.00 -0.32 -5.12 105.19 109.25 2vae n GLY 170 Ca 0.14 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 1.49 -2.03 3.09 -0.02 0.00 -1.26 -4.52 105.19 101.94 2vae n GLY 171 Ca 0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.82 -0.26 1.61 3.76 -1.26 -1.60 115.29 118.36 2vae s HIS 172 Ca 0.00 -0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2vae s HIS 172 Cb 0.00 -0.48 0.04 0.00 1.11 0.00 0.00 32.58 33.25 2vae s HIS 172 CO 0.00 -0.05 -0.06 -0.47 -0.85 0.00 0.00 174.74 173.31 2vae s TYR 173 N -1.38 3.13 0.12 1.40 5.04 0.16 -4.92 117.35 120.90 2vae s TYR 173 Ca -0.08 -1.77 -0.16 0.00 -2.44 0.00 0.00 57.07 52.62 2vae s TYR 173 Cb -0.10 -2.04 -0.07 0.00 0.35 0.00 0.00 41.96 40.10 2vae s TYR 173 CO 0.01 -0.78 0.55 -0.51 -1.34 0.00 0.00 175.55 173.48 2vae s LEU 174 N 1.27 4.40 -0.07 6.97 1.43 -1.26 -0.69 118.68 130.72 2vae s LEU 174 Ca -0.02 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2vae s LEU 174 Cb -0.18 -3.13 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2vae s LEU 174 CO -0.04 0.16 0.15 -0.69 0.23 0.00 0.00 176.35 176.16 2vae s VAL 175 N -1.34 -0.05 -0.18 -1.59 1.01 -0.63 -1.38 120.40 116.25 2vae s VAL 175 Ca 0.35 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 2vae s VAL 175 Cb -0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2vae s VAL 175 CO 0.19 0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.91 2vae s GLU 176 N 1.18 4.23 -0.12 2.72 2.12 -0.18 -0.67 118.70 127.98 2vae s GLU 176 Ca -0.09 -0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.18 2vae s GLU 176 Cb -0.11 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2vae s GLU 176 CO -0.06 0.24 0.07 -0.06 -0.54 0.00 0.00 175.26 174.91 2vae s PHE 177 N 0.48 3.35 -0.12 5.30 0.40 0.01 -0.89 117.98 126.51 2vae s PHE 177 Ca 0.14 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 2vae s PHE 177 Cb -0.12 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2vae s PHE 177 CO 0.02 0.49 -0.11 0.15 0.70 0.00 0.00 175.22 176.47 2vae s LYS 178 N -0.62 1.93 0.20 0.44 1.02 -0.21 -1.46 119.74 121.04 2vae s LYS 178 Ca 0.11 -0.42 0.10 0.00 0.02 0.00 0.00 55.97 55.78 2vae s LYS 178 Cb -0.12 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 2vae s LYS 178 CO 0.02 -0.22 -0.20 -1.12 -0.92 0.00 0.00 175.35 172.91 2vae s SER 179 N 1.48 3.09 -0.06 2.83 0.01 0.45 -0.82 113.70 120.68 2vae s SER 179 Ca 0.03 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2vae s SER 179 Cb -0.13 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2vae s SER 179 CO -0.08 0.02 -0.03 -0.63 0.41 0.00 0.00 173.24 172.93 2vae s ILE 180 N -2.07 0.51 -0.19 1.44 1.09 -0.02 -1.55 121.20 120.41 2vae s ILE 180 Ca 0.20 -0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.68 2vae s ILE 180 Cb -0.06 -0.58 -0.01 0.00 -1.06 0.00 0.00 42.46 40.75 2vae s ILE 180 CO 0.09 0.25 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.78 2vae s TYR 181 N 1.32 2.90 -0.32 3.97 2.02 0.37 -0.79 117.35 126.83 2vae s TYR 181 Ca -0.05 -0.98 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 2vae s TYR 181 Cb -0.13 -2.01 0.10 0.00 -0.40 0.00 0.00 41.96 39.51 2vae s TYR 181 CO -0.02 -0.51 0.06 -1.64 -1.57 0.00 0.00 175.55 171.87 2vae s MET 182 N 1.17 1.22 0.49 -0.62 -1.94 0.66 -2.21 119.30 118.08 2vae s MET 182 Ca 0.02 -1.51 -0.24 0.00 -1.71 0.00 0.00 55.69 52.25 2vae s MET 182 Cb -0.14 -2.71 -0.07 0.00 2.01 0.00 0.00 34.83 33.91 2vae s MET 182 CO -0.03 -0.93 1.40 0.00 -0.01 0.00 0.00 175.02 175.45 2vae n ALA 183 N 4.50 1.82 0.09 3.03 0.00 -1.26 -0.93 120.51 127.77 2vae n ALA 183 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 2vae n ALA 183 Cb 0.42 -2.37 0.30 0.00 0.00 0.00 0.00 19.45 17.79 2vae n ALA 183 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2vae h LYS 184 N 1.91 0.27 -5.15 0.00 1.57 -1.54 -3.39 116.57 110.24 2vae h LYS 184 Ca -0.51 -0.09 -0.64 0.00 -1.87 0.00 0.00 60.65 57.54 2vae h LYS 184 Cb 1.29 -0.02 -0.33 0.00 0.08 0.00 0.00 32.23 33.24 2vae h LYS 184 CO 0.59 0.52 -0.86 -1.59 -0.57 0.00 0.00 179.45 177.53 2vae s LYS 185 N -4.46 2.73 -0.02 3.15 0.00 -1.26 -5.10 119.74 114.78 2vae s LYS 185 Ca -0.05 -0.77 -0.35 0.00 0.00 0.00 0.00 55.97 54.80 2vae s LYS 185 Cb 0.14 -2.09 -0.14 0.00 0.00 0.00 0.00 37.83 35.75 2vae s LYS 185 CO 0.76 0.14 1.71 -2.30 0.00 0.00 0.00 175.35 175.65 2vae n PRO 186 N 3.61 1.90 -4.69 1.78 -0.02 -1.26 -4.92 135.00 131.40 2vae n PRO 186 Ca -0.20 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 2vae n PRO 186 Cb 0.53 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 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 2.61 1.45 0.34 -1.45 -7.23 -1.26 -5.10 120.40 109.76 2vae s VAL 187 Ca 0.88 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 2vae s VAL 187 Cb -0.77 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 33.55 2vae s VAL 187 CO 0.49 0.00 1.49 -1.10 -0.31 0.00 0.00 175.10 175.67 2vae s GLN 188 N -3.81 4.15 0.04 4.82 -0.21 -1.26 -5.00 119.66 118.38 2vae s GLN 188 Ca 0.18 2.51 0.00 0.00 0.02 0.00 0.00 55.36 58.08 2vae s GLN 188 Cb 0.05 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 2vae s GLN 188 CO 0.09 -0.51 0.13 -0.51 -2.12 0.00 0.00 175.29 172.37 2vae s LEU 189 N -1.50 4.06 0.93 2.90 1.43 -1.26 -4.20 118.68 121.03 2vae s LEU 189 Ca 0.56 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 2vae s LEU 189 Cb -0.46 -2.56 0.17 0.00 0.03 0.00 0.00 46.19 43.37 2vae s LEU 189 CO 0.56 0.22 1.28 -2.16 0.23 0.00 0.00 176.35 176.48 2vae s PRO 190 N -2.15 0.95 0.00 1.29 0.04 -1.26 -4.75 135.00 129.11 2vae s PRO 190 Ca 0.28 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2vae s PRO 190 Cb -0.12 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2vae s PRO 190 CO 0.21 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2vae n GLY 191 N -3.55 1.16 3.70 0.56 0.00 -1.26 -4.28 105.19 101.52 2vae n GLY 191 Ca 0.13 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 1.43 2.89 0.28 1.61 5.04 -1.26 -4.44 117.35 122.89 2vae s TYR 192 Ca 0.00 0.71 -0.11 0.00 -2.44 0.00 0.00 57.07 55.23 2vae s TYR 192 Cb 0.00 -3.78 0.04 0.00 0.35 0.00 0.00 41.96 38.58 2vae s TYR 192 CO 0.00 -2.90 0.59 2.48 -1.34 0.00 0.00 175.55 174.38 2vae n TYR 193 N 4.82 -1.93 -4.22 4.97 4.11 -0.71 -4.84 117.16 119.36 2vae n TYR 193 Ca 0.13 -1.32 -0.19 0.00 -0.00 0.00 0.00 57.90 56.53 2vae n TYR 193 Cb 0.42 0.66 -0.12 0.00 -0.00 0.00 0.00 39.34 40.29 2vae n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2vae s TYR 194 N -3.97 1.20 -0.14 -3.48 1.51 -0.53 -0.55 117.35 111.39 2vae s TYR 194 Ca 0.12 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2vae s TYR 194 Cb -0.03 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 2vae s TYR 194 CO 0.08 0.05 -0.13 0.08 -1.11 0.00 0.00 175.55 174.52 2vae s VAL 195 N -1.15 1.46 -0.06 0.71 1.01 -0.49 -0.98 120.40 120.91 2vae s VAL 195 Ca -0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 2vae s VAL 195 Cb -0.09 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2vae s VAL 195 CO 0.02 0.44 0.65 -1.81 0.00 0.00 0.00 175.10 174.40 2vae s ASP 196 N 1.47 6.95 0.09 3.32 1.01 -0.30 -0.60 116.67 128.60 2vae s ASP 196 Ca 0.04 1.14 0.04 0.00 0.71 0.00 0.00 52.55 54.47 2vae s ASP 196 Cb -0.13 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2vae s ASP 196 CO -0.09 -0.06 -0.10 -0.44 0.21 0.00 0.00 175.17 174.69 2vae s SER 197 N 0.57 1.43 -0.15 0.27 0.01 -0.14 -1.16 113.70 114.52 2vae s SER 197 Ca 0.35 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 2vae s SER 197 Cb -0.18 0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.13 2vae s SER 197 CO 0.17 -0.23 0.23 -0.75 0.41 0.00 0.00 173.24 173.07 2vae s LYS 198 N -2.56 0.15 -0.15 12.44 2.20 -0.07 -0.77 119.74 130.98 2vae s LYS 198 Ca 0.03 0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 2vae s LYS 198 Cb -0.04 -0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 35.73 2vae s LYS 198 CO 0.00 -0.44 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.31 2vae s LEU 199 N 2.37 3.00 -0.04 5.43 0.20 -1.26 -1.78 118.68 126.60 2vae s LEU 199 Ca 0.04 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.68 2vae s LEU 199 Cb -0.14 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2vae s LEU 199 CO -0.10 0.14 -0.23 -1.81 -0.29 0.00 0.00 176.35 174.07 2vae s ASP 200 N 0.52 2.75 -0.29 3.68 1.01 0.32 -4.54 116.67 120.12 2vae s ASP 200 Ca -0.05 -0.44 -0.28 0.00 0.71 0.00 0.00 52.55 52.48 2vae s ASP 200 Cb -0.15 -0.57 0.01 0.00 1.01 0.00 0.00 42.92 43.22 2vae s ASP 200 CO 0.03 0.24 1.02 -0.63 0.21 0.00 0.00 175.17 176.04 2vae s ILE 201 N -0.29 4.61 -0.11 0.77 -1.09 -1.26 -0.72 121.20 123.11 2vae s ILE 201 Ca 0.02 1.72 0.20 0.00 -2.23 0.00 0.00 60.65 60.36 2vae s ILE 201 Cb -0.11 -4.34 -0.27 0.00 -1.58 0.00 0.00 42.46 36.16 2vae s ILE 201 CO 0.01 -0.36 0.41 0.35 -1.23 0.00 0.00 174.94 174.13 2vae n THR 202 N 5.66 0.66 -3.55 2.92 -2.24 -0.16 -4.97 114.28 112.59 2vae n THR 202 Ca 0.11 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 2vae n THR 202 Cb 0.47 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 -5.05 -0.42 -0.17 3.42 1.04 -1.20 -4.98 113.70 106.33 2vae s SER 203 Ca -0.08 -0.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 2vae s SER 203 Cb 0.10 0.55 0.14 0.00 0.10 0.00 0.00 66.02 66.91 2vae s SER 203 CO 0.86 -0.92 1.07 -1.38 0.98 0.00 0.00 173.24 173.86 2vae s HIS 204 N -3.54 -0.28 0.89 5.02 -0.00 -1.26 -0.70 115.29 115.41 2vae s HIS 204 Ca 0.05 0.44 -0.11 0.00 -0.00 0.00 0.00 55.06 55.45 2vae s HIS 204 Cb -0.02 0.47 0.19 0.00 -0.00 0.00 0.00 32.58 33.22 2vae s HIS 204 CO -0.07 -0.29 1.22 0.54 -0.00 0.00 0.00 174.74 176.15 2vae s ASN 205 N -1.29 3.40 0.25 7.38 4.22 -0.76 -4.96 114.94 123.17 2vae s ASN 205 Ca 0.02 -0.05 -0.03 0.00 -2.14 0.00 0.00 52.86 50.66 2vae s ASN 205 Cb -0.01 -0.05 0.44 0.00 1.28 0.00 0.00 41.25 42.92 2vae s ASN 205 CO -0.02 -2.52 1.79 -0.33 -2.04 0.00 0.00 177.10 173.98 2vae h GLU 206 N -1.31 0.70 -0.40 3.55 4.39 -2.02 -2.71 114.58 116.78 2vae h GLU 206 Ca -0.41 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2vae h GLU 206 Cb 1.24 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2vae h GLU 206 CO 0.35 0.46 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 2vae n ASP 207 N -4.80 3.65 -3.24 1.42 5.75 -1.26 -4.96 116.55 113.11 2vae n ASP 207 Ca 0.15 -2.40 -0.23 0.00 -0.01 0.00 0.00 54.79 52.30 2vae n ASP 207 Cb 0.33 -0.41 0.04 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.39 -2.19 0.67 2.11 4.02 -1.02 -4.55 117.16 116.60 2vae n TYR 208 Ca 0.18 0.65 0.12 0.00 -0.01 0.00 0.00 57.90 58.84 2vae n TYR 208 Cb 0.67 -4.44 0.16 0.00 -0.02 0.00 0.00 39.34 35.71 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 -4.59 0.23 -4.07 -0.72 -2.24 -1.26 -4.76 114.28 96.87 2vae n THR 209 Ca -0.07 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 2vae n THR 209 Cb 0.59 0.02 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 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 -3.13 0.67 -0.01 2.28 1.01 -1.26 -0.70 121.20 120.06 2vae s ILE 210 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 2vae s ILE 210 Cb 0.15 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2vae s ILE 210 CO 0.73 0.28 0.04 -0.69 0.00 0.00 0.00 174.94 175.30 2vae s VAL 211 N 1.30 -0.00 0.09 2.92 1.01 -0.39 -1.84 120.40 123.49 2vae s VAL 211 Ca -0.04 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2vae s VAL 211 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2vae s VAL 211 CO -0.02 0.00 -0.17 -1.61 0.00 0.00 0.00 175.10 173.30 2vae s GLU 212 N 0.05 1.91 0.09 2.72 2.02 0.12 -0.55 118.70 125.06 2vae s GLU 212 Ca -0.00 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2vae s GLU 212 Cb -0.01 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2vae s GLU 212 CO -0.00 0.50 -0.06 -0.65 0.02 0.00 0.00 175.26 175.07 2vae s GLN 213 N -1.94 0.80 -0.01 1.61 -0.21 0.08 -0.99 119.66 119.01 2vae s GLN 213 Ca 0.17 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.28 2vae s GLN 213 Cb -0.11 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.72 2vae s GLN 213 CO 0.09 -0.02 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.74 2vae s TYR 214 N -3.46 0.29 -0.01 0.91 5.04 0.10 -1.55 117.35 118.68 2vae s TYR 214 Ca 0.10 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 2vae s TYR 214 Cb 0.04 -0.21 -0.00 0.00 0.35 0.00 0.00 41.96 42.14 2vae s TYR 214 CO -0.05 -0.02 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.08 2vae s GLU 215 N 0.05 0.54 -0.07 4.97 2.12 -0.20 -0.52 118.70 125.60 2vae s GLU 215 Ca -0.00 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.17 2vae s GLU 215 Cb -0.03 -0.53 -0.01 0.00 0.26 0.00 0.00 34.13 33.82 2vae s GLU 215 CO -0.00 0.11 -0.23 0.50 -0.54 0.00 0.00 175.26 175.10 2vae s ARG 216 N -0.02 2.65 -0.12 4.30 3.52 -0.73 -1.64 118.95 126.91 2vae s ARG 216 Ca 0.01 -0.86 -0.10 0.00 -0.13 0.00 0.00 55.73 54.64 2vae s ARG 216 Cb -0.04 -2.23 0.03 0.00 -1.56 0.00 0.00 34.95 31.15 2vae s ARG 216 CO -0.00 0.38 0.30 0.00 -0.81 0.00 0.00 175.30 175.17 2vae s ALA 217 N -0.15 -0.75 -0.09 6.12 0.00 0.20 -0.89 121.76 126.20 2vae s ALA 217 Ca -0.04 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2vae s ALA 217 Cb -0.14 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.49 2vae s ALA 217 CO 0.04 -0.16 0.22 -1.21 0.00 0.00 0.00 175.76 174.65 2vae s GLU 218 N 0.35 0.17 0.31 0.00 2.02 -0.31 -2.06 118.70 119.17 2vae s GLU 218 Ca -0.02 0.50 -0.10 0.00 0.02 0.00 0.00 54.97 55.37 2vae s GLU 218 Cb -0.03 -0.14 -0.07 0.00 0.10 0.00 0.00 34.13 33.99 2vae s GLU 218 CO -0.01 -0.17 0.65 0.20 0.02 0.00 0.00 175.26 175.94 2vae s GLY 219 N 1.32 2.11 0.04 -1.39 0.00 0.18 -1.15 107.32 108.43 2vae s GLY 219 Ca -0.08 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 2vae s GLY 219 CO -0.08 -0.09 0.84 1.09 0.00 0.00 0.00 173.10 174.86 2vae s ARG 220 N -3.28 0.96 0.78 2.90 1.70 -0.15 -4.34 118.95 117.52 2vae s ARG 220 Ca 0.49 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 55.27 2vae s ARG 220 Cb -0.11 0.42 0.06 0.00 -0.57 0.00 0.00 34.95 34.76 2vae s ARG 220 CO 0.25 -0.42 1.08 -1.01 -1.08 0.00 0.00 175.30 174.12 2vae s HIS 221 N -3.27 2.69 0.42 5.89 3.76 -1.26 -1.45 115.29 122.07 2vae s HIS 221 Ca 0.05 1.44 -0.24 0.00 -0.15 0.00 0.00 55.06 56.16 2vae s HIS 221 Cb -0.01 -3.03 -0.11 0.00 1.11 0.00 0.00 32.58 30.54 2vae s HIS 221 CO -0.08 -1.76 0.93 1.58 -0.85 0.00 0.00 174.74 174.56 2vae n HIS 222 N -3.48 0.87 0.30 1.40 -0.00 -1.26 -4.82 115.22 108.23 2vae n HIS 222 Ca 0.08 0.57 0.18 0.00 0.46 0.00 0.00 57.72 59.01 2vae n HIS 222 Cb 0.54 -2.18 0.83 0.00 -0.12 0.00 0.00 29.99 29.06 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 1.37 0.00 -0.54 0.27 3.38 -2.04 -2.64 115.31 115.11 2vae h LEU 223 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.56 0.00 -0.20 0.49 0.09 0.00 0.00 178.44 179.37 2vae n PHE 224 N -2.98 0.00 1.71 1.13 0.99 -1.26 -5.32 117.46 111.73 2vae n PHE 224 Ca -0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.59 2vae n PHE 224 Cb 0.21 -0.11 0.70 0.00 -1.00 0.00 0.00 39.48 39.29 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04