#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vae n SER 2 N 0.00 -0.50 -1.19 1.61 7.64 -1.26 -5.17 113.62 114.76 1vae n SER 2 Ca 0.00 0.48 0.09 0.00 1.01 0.00 0.00 58.87 60.44 1vae n SER 2 Cb 0.00 0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 1vae n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vae n SER 3 N -3.37 -6.41 0.00 6.43 2.88 -1.26 -4.99 113.62 106.90 1vae n SER 3 Ca 0.00 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1vae n SER 3 Cb 0.00 -3.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 1vae n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vae n GLY 4 N -3.30 2.28 0.53 0.46 0.00 -1.26 -4.85 105.19 99.04 1vae n GLY 4 Ca -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 1vae n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vae n SER 5 N 0.00 1.40 -1.23 1.61 7.64 -1.26 -5.13 113.62 116.64 1vae n SER 5 Ca 0.00 0.22 0.07 0.00 1.01 0.00 0.00 58.87 60.17 1vae n SER 5 Cb 0.00 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.64 1vae n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vae n SER 6 N -3.86 -6.66 0.00 6.43 2.88 -1.26 -5.09 113.62 106.06 1vae n SER 6 Ca -0.07 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 1vae n SER 6 Cb 0.25 -4.02 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 1vae n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vae n GLY 7 N -3.15 3.06 0.02 0.46 0.00 -1.26 -5.05 105.19 99.26 1vae n GLY 7 Ca -0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 1vae n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vae n SER 8 N 0.00 3.91 0.00 1.61 2.88 -1.26 -5.05 113.62 115.70 1vae n SER 8 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1vae n SER 8 Cb 0.00 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1vae n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vae n ALA 9 N -2.41 0.00 -3.55 -1.46 0.00 -1.26 -5.18 120.51 106.64 1vae n ALA 9 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1vae n ALA 9 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1vae n ALA 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vae s SER 10 N 0.00 -0.31 -0.29 0.00 1.04 -1.26 -5.12 113.70 107.77 1vae s SER 10 Ca 0.00 0.12 -0.42 0.00 0.48 0.00 0.00 55.95 56.13 1vae s SER 10 Cb 0.00 0.30 -0.18 0.00 0.10 0.00 0.00 66.02 66.24 1vae s SER 10 CO 0.00 -0.43 1.58 0.29 0.98 0.00 0.00 173.24 175.66 1vae n LYS 11 N 0.10 0.64 -2.97 4.02 5.02 -1.26 -4.89 118.16 118.82 1vae n LYS 11 Ca -0.07 0.23 -0.35 0.00 -2.02 0.00 0.00 58.31 56.10 1vae n LYS 11 Cb 0.60 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1vae n LYS 11 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vae s ARG 12 N 2.65 4.31 -0.02 1.97 3.52 -1.26 -5.05 118.95 125.08 1vae s ARG 12 Ca 0.98 1.01 0.04 0.00 -0.13 0.00 0.00 55.73 57.63 1vae s ARG 12 Cb -1.22 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 1vae s ARG 12 CO 0.68 0.27 -0.12 -1.58 -0.81 0.00 0.00 175.30 173.74 1vae s TRP 13 N -1.71 1.15 1.08 5.12 0.52 -1.26 -2.93 118.94 120.90 1vae s TRP 13 Ca 0.49 -0.25 -0.18 0.00 0.02 0.00 0.00 56.10 56.19 1vae s TRP 13 Cb -0.15 -0.76 0.25 0.00 -1.15 0.00 0.00 33.47 31.66 1vae s TRP 13 CO 0.20 -0.05 1.26 0.45 0.02 0.00 0.00 176.95 178.83 1vae s SER 14 N -0.15 2.09 0.44 2.95 0.15 0.66 -4.95 113.70 114.89 1vae s SER 14 Ca 0.02 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.77 1vae s SER 14 Cb -0.06 -0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 63.79 1vae s SER 14 CO -0.00 -3.38 1.05 -2.16 1.20 0.00 0.00 173.24 169.95 1vae s PRO 15 N -5.77 3.97 0.08 5.44 0.04 -1.26 -4.44 135.00 133.06 1vae s PRO 15 Ca 0.74 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1vae s PRO 15 Cb -0.05 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1vae s PRO 15 CO 0.54 -0.30 1.15 -1.25 0.04 0.00 0.00 177.00 177.19 1vae s PRO 16 N -2.88 4.48 0.42 0.56 0.04 -1.26 -4.48 135.00 131.89 1vae s PRO 16 Ca 0.63 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1vae s PRO 16 Cb -0.19 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1vae s PRO 16 CO 0.24 -0.16 0.67 -0.98 0.04 0.00 0.00 177.00 176.80 1vae s ARG 17 N 0.73 3.39 -0.40 4.56 1.70 -0.38 -4.86 118.95 123.69 1vae s ARG 17 Ca 0.56 -0.17 -0.08 0.00 -0.47 0.00 0.00 55.73 55.57 1vae s ARG 17 Cb -0.29 -2.52 0.07 0.00 -0.57 0.00 0.00 34.95 31.64 1vae s ARG 17 CO 0.30 -0.10 0.22 0.20 -1.08 0.00 0.00 175.30 174.85 1vae s GLY 18 N -4.11 1.94 0.09 3.88 0.00 -1.26 -3.55 107.32 104.32 1vae s GLY 18 Ca 0.45 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1vae s GLY 18 CO 0.40 0.93 0.24 -0.42 0.00 0.00 0.00 173.10 174.25 1vae s ILE 19 N 1.40 5.36 -0.16 0.90 1.01 -0.66 -5.00 121.20 124.05 1vae s ILE 19 Ca 0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 1vae s ILE 19 Cb -0.22 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.64 1vae s ILE 19 CO 0.02 0.05 0.10 -1.38 0.00 0.00 0.00 174.94 173.73 1vae s HIS 20 N -1.60 0.13 0.35 3.97 -3.43 -1.26 -3.09 115.29 110.37 1vae s HIS 20 Ca 0.35 -0.20 -0.13 0.00 -0.80 0.00 0.00 55.06 54.28 1vae s HIS 20 Cb -0.12 -0.64 0.04 0.00 -1.43 0.00 0.00 32.58 30.43 1vae s HIS 20 CO 0.28 -0.48 0.69 -0.59 -2.00 0.00 0.00 174.74 172.64 1vae s PHE 21 N 2.16 0.30 -0.27 0.38 -0.12 -1.20 -4.69 117.98 114.54 1vae s PHE 21 Ca 0.03 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.05 1vae s PHE 21 Cb -0.16 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1vae s PHE 21 CO -0.09 -1.40 -0.02 0.99 -0.05 0.00 0.00 175.22 174.66 1vae s THR 22 N -2.80 3.06 1.03 -4.49 2.01 -1.26 -1.74 115.64 111.44 1vae s THR 22 Ca 0.19 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.90 1vae s THR 22 Cb -0.04 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1vae s THR 22 CO 0.13 0.08 -0.36 0.52 -0.69 0.00 0.00 174.62 174.29 1vae n VAL 23 N 4.68 0.00 -3.67 3.82 0.31 -1.25 -4.79 118.33 117.42 1vae n VAL 23 Ca -0.15 -0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 63.65 1vae n VAL 23 Cb 0.46 -0.37 -0.11 0.00 -0.91 0.00 0.00 33.84 32.91 1vae n VAL 23 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1vae s GLU 24 N -2.92 1.67 -0.74 5.55 2.02 -1.26 -2.90 118.70 120.12 1vae s GLU 24 Ca 0.49 -2.65 -0.08 0.00 0.02 0.00 0.00 54.97 52.75 1vae s GLU 24 Cb -0.11 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 1vae s GLU 24 CO 0.70 -1.30 1.90 -0.85 0.02 0.00 0.00 175.26 175.73 1vae n GLU 25 N 2.57 1.64 0.00 1.61 0.28 -1.26 -2.00 120.64 123.48 1vae n GLU 25 Ca 0.22 -1.37 0.00 0.00 -0.16 0.00 0.00 57.16 55.85 1vae n GLU 25 Cb 0.40 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.81 1vae n GLU 25 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vae n GLY 26 N 3.95 0.06 3.12 -1.84 0.00 -1.26 -5.01 105.19 104.21 1vae n GLY 26 Ca 0.39 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.40 1vae n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vae s ASP 27 N -0.86 -1.30 0.08 1.61 -1.08 -0.85 -5.15 116.67 109.12 1vae s ASP 27 Ca 0.00 0.53 -0.10 0.00 -0.52 0.00 0.00 52.55 52.46 1vae s ASP 27 Cb 0.00 2.01 -0.06 0.00 -1.46 0.00 0.00 42.92 43.41 1vae s ASP 27 CO 0.00 -0.28 0.40 -0.76 0.52 0.00 0.00 175.17 175.05 1vae s LEU 28 N 2.82 4.35 -0.26 -1.34 1.43 -1.25 -4.71 118.68 119.72 1vae s LEU 28 Ca 0.16 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 54.11 1vae s LEU 28 Cb -0.13 -2.98 0.49 0.00 0.03 0.00 0.00 46.19 43.60 1vae s LEU 28 CO -0.23 0.17 1.54 0.61 0.23 0.00 0.00 176.35 178.67 1vae n GLY 29 N 0.92 3.31 3.63 -3.19 0.00 -1.26 -4.90 105.19 103.70 1vae n GLY 29 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1vae n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vae s PHE 30 N -2.23 -0.15 0.37 1.61 -0.12 -1.26 0.15 117.98 116.35 1vae s PHE 30 Ca 0.38 -0.01 0.04 0.00 -0.05 0.00 0.00 56.93 57.29 1vae s PHE 30 Cb 0.31 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 43.24 1vae s PHE 30 CO 0.09 -0.47 0.16 -0.08 -0.05 0.00 0.00 175.22 174.86 1vae s THR 31 N -2.81 0.46 -0.21 -4.49 -1.32 -1.19 -4.88 115.64 101.20 1vae s THR 31 Ca 0.11 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.60 1vae s THR 31 Cb 0.01 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1vae s THR 31 CO -0.03 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.47 1vae s LEU 32 N -3.51 2.63 0.18 9.08 1.43 -1.26 -2.31 118.68 124.92 1vae s LEU 32 Ca 0.30 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1vae s LEU 32 Cb 0.03 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1vae s LEU 32 CO 0.17 -0.06 -0.10 -0.13 0.23 0.00 0.00 176.35 176.46 1vae s ARG 33 N 1.26 2.04 0.52 1.70 0.52 -1.26 -4.93 118.95 118.79 1vae s ARG 33 Ca 0.01 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1vae s ARG 33 Cb -0.15 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1vae s ARG 33 CO -0.09 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1vae n GLY 34 N 0.05 -1.80 0.37 -3.53 0.00 -1.26 -3.01 105.19 96.01 1vae n GLY 34 Ca -0.11 -1.82 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 1vae n GLY 34 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vae n ASN 35 N 0.09 0.05 -3.65 1.61 6.94 -1.26 -4.74 115.26 114.30 1vae n ASN 35 Ca 0.00 0.01 -0.05 0.00 -0.02 0.00 0.00 54.58 54.52 1vae n ASN 35 Cb 0.00 -0.33 -0.07 0.00 -2.36 0.00 0.00 39.78 37.03 1vae n ASN 35 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1vae s THR 36 N -1.05 0.00 0.10 5.53 -1.32 -1.26 -3.98 115.64 113.67 1vae s THR 36 Ca -0.01 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.17 1vae s THR 36 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1vae s THR 36 CO 0.01 0.00 1.15 -2.16 -2.21 0.00 0.00 174.62 171.40 1vae s PRO 37 N 0.09 4.50 1.03 7.08 0.04 -1.25 -5.02 135.00 141.46 1vae s PRO 37 Ca 0.06 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 1vae s PRO 37 Cb -0.05 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1vae s PRO 37 CO -0.13 -0.12 0.27 1.33 0.04 0.00 0.00 177.00 178.39 1vae n VAL 38 N 3.30 0.00 -4.30 -0.36 0.24 -1.26 -4.82 118.33 111.13 1vae n VAL 38 Ca 0.06 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1vae n VAL 38 Cb 0.47 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 1vae n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vae n GLN 39 N -1.97 1.48 -3.96 7.34 6.02 -1.17 -3.05 117.38 122.07 1vae n GLN 39 Ca 0.04 -1.55 -0.31 0.00 -0.01 0.00 0.00 57.00 55.18 1vae n GLN 39 Cb 0.57 0.41 -0.15 0.00 1.02 0.00 0.00 30.24 32.08 1vae n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vae s VAL 40 N -1.75 1.66 -1.03 5.09 1.01 0.13 -4.16 120.40 121.34 1vae s VAL 40 Ca 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 1vae s VAL 40 Cb -0.00 -1.93 0.27 0.00 0.00 0.00 0.00 36.38 34.71 1vae s VAL 40 CO 0.00 -0.15 1.07 1.57 0.00 0.00 0.00 175.10 177.59 1vae n HIS 41 N 4.61 4.46 -1.22 5.22 -0.00 -0.98 -2.70 115.22 124.61 1vae n HIS 41 Ca -0.11 -3.79 -0.43 0.00 0.46 0.00 0.00 57.72 53.85 1vae n HIS 41 Cb 0.43 -1.43 -0.04 0.00 -0.12 0.00 0.00 29.99 28.84 1vae n HIS 41 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1vae n PHE 42 N 2.28 -0.18 -0.04 1.57 3.72 -1.26 -3.15 117.46 120.40 1vae n PHE 42 Ca 0.24 0.85 -0.05 0.00 -0.05 0.00 0.00 57.45 58.44 1vae n PHE 42 Cb 0.38 -1.71 -0.07 0.00 -0.94 0.00 0.00 39.48 37.14 1vae n PHE 42 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1vae n LEU 43 N 1.61 0.31 -4.04 4.37 4.77 0.39 -4.86 117.00 119.55 1vae n LEU 43 Ca 0.16 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 1vae n LEU 43 Cb 0.18 0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1vae n LEU 43 CO 0.49 0.26 -0.44 -1.81 -1.33 0.00 0.00 177.39 174.57 1vae s ASP 44 N -4.17 1.12 0.10 -1.43 1.11 -0.91 -4.96 116.67 107.53 1vae s ASP 44 Ca -0.05 -0.20 -0.11 0.00 0.18 0.00 0.00 52.55 52.37 1vae s ASP 44 Cb 0.03 -0.12 -0.16 0.00 1.07 0.00 0.00 42.92 43.74 1vae s ASP 44 CO 0.34 0.10 1.26 1.55 1.18 0.00 0.00 175.17 179.61 1vae h PRO 45 N 5.81 0.66 -1.03 8.23 0.13 -1.95 -3.11 132.00 140.74 1vae h PRO 45 Ca -0.31 -0.64 -0.33 0.00 -0.87 0.00 0.00 66.00 63.85 1vae h PRO 45 Cb 1.18 0.17 -0.19 0.00 0.13 0.00 0.00 31.00 32.28 1vae h PRO 45 CO 0.49 1.24 0.42 0.72 -0.23 0.00 0.00 178.00 180.64 1vae n HIS 46 N -3.86 1.91 0.00 1.56 8.25 -1.26 -4.61 115.22 117.21 1vae n HIS 46 Ca -0.09 -1.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1vae n HIS 46 Cb 0.82 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1vae n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vae n SER 48 N 0.00 0.00 -0.40 0.00 2.88 -1.26 -4.51 113.62 110.33 1vae n SER 48 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1vae n SER 48 Cb 0.00 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 1vae n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vae n ALA 49 N -2.25 -0.48 -0.32 -1.46 0.00 -1.26 0.20 120.51 114.94 1vae n ALA 49 Ca 0.00 0.87 0.16 0.00 0.00 0.00 0.00 53.44 54.46 1vae n ALA 49 Cb 0.00 -0.22 0.34 0.00 0.00 0.00 0.00 19.45 19.57 1vae n ALA 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vae h SER 50 N 0.00 0.38 -0.33 0.00 0.87 -1.88 1.05 113.55 113.64 1vae h SER 50 Ca 0.21 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 1vae h SER 50 Cb 0.45 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1vae h SER 50 CO -0.93 -0.02 -0.10 -0.07 -0.53 0.00 0.00 176.83 175.18 1vae h LEU 51 N 0.40 0.73 0.57 2.23 -0.00 0.20 -3.15 115.31 116.30 1vae h LEU 51 Ca 0.60 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 58.25 1vae h LEU 51 Cb 1.19 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 1vae h LEU 51 CO -0.55 0.86 -0.41 0.00 -0.00 0.00 0.00 178.44 178.35 1vae h ALA 52 N 1.21 -1.16 0.00 1.53 0.00 0.51 -3.46 119.26 117.89 1vae h ALA 52 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vae h ALA 52 Cb 0.56 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1vae h ALA 52 CO 0.03 -1.15 0.00 0.41 0.00 0.00 0.00 179.25 178.54 1vae n GLY 53 N -1.49 0.00 3.58 0.00 0.00 -0.45 -4.83 105.19 102.00 1vae n GLY 53 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1vae n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vae s ALA 54 N 0.00 2.97 0.21 4.61 0.00 -1.19 -4.94 121.76 123.41 1vae s ALA 54 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1vae s ALA 54 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1vae s ALA 54 CO 0.00 0.53 0.07 1.63 0.00 0.00 0.00 175.76 177.99 1vae n LYS 55 N 0.27 1.37 -3.19 0.00 5.02 -1.26 -4.52 118.16 115.85 1vae n LYS 55 Ca -0.12 -1.44 -0.38 0.00 -2.02 0.00 0.00 58.31 54.36 1vae n LYS 55 Cb 0.54 0.29 -0.06 0.00 -0.02 0.00 0.00 35.03 35.79 1vae n LYS 55 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1vae s GLU 56 N -2.80 4.24 0.00 1.97 2.12 -1.26 -3.86 118.70 119.11 1vae s GLU 56 Ca 0.05 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1vae s GLU 56 Cb -0.00 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1vae s GLU 56 CO 0.03 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 1vae n GLY 57 N 1.28 0.49 3.71 -1.50 0.00 -1.10 -5.01 105.19 103.05 1vae n GLY 57 Ca -0.07 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1vae n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vae s ASP 58 N -2.83 7.16 -0.44 1.61 1.01 -1.25 -4.71 116.67 117.21 1vae s ASP 58 Ca 0.00 1.88 -0.11 0.00 0.71 0.00 0.00 52.55 55.03 1vae s ASP 58 Cb 0.00 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.43 1vae s ASP 58 CO 0.00 -0.43 0.31 -0.31 0.21 0.00 0.00 175.17 174.95 1vae s TYR 59 N 1.21 3.31 0.19 4.23 1.51 -1.17 -0.69 117.35 125.93 1vae s TYR 59 Ca 0.56 -1.34 -0.33 0.00 -1.01 0.00 0.00 57.07 54.96 1vae s TYR 59 Cb -0.26 -3.04 -0.13 0.00 -0.11 0.00 0.00 41.96 38.42 1vae s TYR 59 CO 0.28 -0.83 1.65 -0.89 -1.11 0.00 0.00 175.55 174.64 1vae n ILE 60 N 5.01 0.06 -0.04 2.71 5.41 -1.17 -2.48 119.36 128.86 1vae n ILE 60 Ca -0.11 -0.02 -0.05 0.00 1.00 0.00 0.00 62.75 63.58 1vae n ILE 60 Cb 0.43 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.51 1vae n ILE 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1vae n VAL 61 N 3.62 0.59 -3.65 1.39 0.24 -0.04 -4.30 118.33 116.18 1vae n VAL 61 Ca 0.16 -0.33 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 1vae n VAL 61 Cb 0.32 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 1vae n VAL 61 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1vae s SER 62 N -4.25 -0.33 -0.26 -1.34 0.01 -1.24 0.10 113.70 106.39 1vae s SER 62 Ca -0.06 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.84 1vae s SER 62 Cb 0.03 0.57 0.12 0.00 0.21 0.00 0.00 66.02 66.94 1vae s SER 62 CO 0.33 -1.00 0.26 -0.63 0.41 0.00 0.00 173.24 172.60 1vae s ILE 63 N -3.83 -0.36 -0.87 1.44 1.01 -0.60 -1.85 121.20 116.15 1vae s ILE 63 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1vae s ILE 63 Cb -0.01 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1vae s ILE 63 CO -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 174.94 174.49 1vae n GLN 64 N 5.31 -0.79 -0.46 2.79 1.13 -0.54 -2.08 117.38 122.73 1vae n GLN 64 Ca -0.04 0.51 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1vae n GLN 64 Cb 0.47 -4.56 0.00 0.00 0.11 0.00 0.00 30.24 26.27 1vae n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vae n GLY 65 N -1.06 0.77 3.85 1.08 0.00 -1.26 -5.01 105.19 103.55 1vae n GLY 65 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1vae n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vae s VAL 66 N -2.95 4.60 -0.28 1.61 1.01 -0.88 -5.02 120.40 118.50 1vae s VAL 66 Ca 0.00 1.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 1vae s VAL 66 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1vae s VAL 66 CO 0.00 -0.41 0.94 -0.62 0.00 0.00 0.00 175.10 175.01 1vae s ASP 67 N -2.64 6.87 -0.35 3.32 -1.08 -1.26 -1.56 116.67 119.97 1vae s ASP 67 Ca 0.56 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.75 1vae s ASP 67 Cb -0.10 -2.48 0.45 0.00 -1.46 0.00 0.00 42.92 39.33 1vae s ASP 67 CO 0.23 -0.69 0.99 0.00 0.52 0.00 0.00 175.17 176.22 1vae n LYS 69 N -0.16 1.82 -0.09 0.00 4.81 -0.99 -3.15 118.16 120.41 1vae n LYS 69 Ca 0.16 0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1vae n LYS 69 Cb 0.78 -1.26 -0.12 0.00 0.02 0.00 0.00 35.03 34.45 1vae n LYS 69 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1vae n TRP 70 N -2.51 0.00 -1.34 5.64 7.02 -1.26 -3.79 117.44 121.20 1vae n TRP 70 Ca -0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 55.90 1vae n TRP 70 Cb 0.81 -0.79 0.01 0.00 -2.42 0.00 0.00 31.31 28.93 1vae n TRP 70 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1vae n LEU 71 N -2.75 -1.93 0.00 -0.99 4.77 -1.26 -4.80 117.00 110.04 1vae n LEU 71 Ca -0.29 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1vae n LEU 71 Cb 0.98 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1vae n LEU 71 CO 0.30 -3.97 0.00 0.35 -1.33 0.00 0.00 177.39 172.74 1vae n THR 72 N -1.32 0.00 0.12 -5.08 -2.24 -1.26 -4.52 114.28 99.98 1vae n THR 72 Ca 0.10 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.64 1vae n THR 72 Cb 0.44 -1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 67.42 1vae n THR 72 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1vae h VAL 73 N 0.00 1.32 -0.10 2.28 2.07 -1.85 -2.93 116.25 117.03 1vae h VAL 73 Ca 0.00 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.86 1vae h VAL 73 Cb 0.00 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1vae h VAL 73 CO 0.00 0.79 0.02 -1.28 0.02 0.00 0.00 177.57 177.12 1vae h SER 74 N 0.02 0.15 0.18 0.57 0.87 -1.95 -0.01 113.55 113.39 1vae h SER 74 Ca -0.24 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1vae h SER 74 Cb 2.05 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 1vae h SER 74 CO 0.24 0.34 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.31 1vae h GLU 75 N -0.05 -0.43 -0.47 2.24 5.08 -1.94 0.69 114.58 119.70 1vae h GLU 75 Ca 0.03 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1vae h GLU 75 Cb 0.25 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.50 1vae h GLU 75 CO 0.00 -0.29 -0.26 0.28 -1.00 0.00 0.00 179.01 177.74 1vae h VAL 76 N -0.45 0.30 -0.91 3.13 2.07 -1.56 0.41 116.25 119.24 1vae h VAL 76 Ca -0.02 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.74 1vae h VAL 76 Cb 0.40 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 30.34 1vae h VAL 76 CO -0.07 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.16 1vae h MET 77 N -0.16 0.35 0.00 1.57 2.86 -0.67 1.65 114.93 120.53 1vae h MET 77 Ca 0.21 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1vae h MET 77 Cb 0.50 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1vae h MET 77 CO -0.56 0.23 -0.37 -0.22 1.06 0.00 0.00 176.91 177.05 1vae h LYS 78 N 0.36 0.00 0.00 1.72 3.64 0.19 0.28 116.57 122.75 1vae h LYS 78 Ca 0.59 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.82 1vae h LYS 78 Cb 1.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1vae h LYS 78 CO -0.56 0.37 -0.68 1.25 -2.27 0.00 0.00 179.45 177.55 1vae h LEU 79 N 0.00 0.00 0.04 5.20 6.46 0.59 -2.39 115.31 125.21 1vae h LEU 79 Ca -0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 1vae h LEU 79 Cb 1.04 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1vae h LEU 79 CO 0.05 0.68 -1.14 -0.07 -0.62 0.00 0.00 178.44 177.35 1vae h LEU 80 N 0.00 0.14 -0.27 2.25 3.38 0.11 -3.32 115.31 117.61 1vae h LEU 80 Ca -0.01 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.30 1vae h LEU 80 Cb 1.45 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1vae h LEU 80 CO 0.09 1.47 -0.12 0.11 0.09 0.00 0.00 178.44 180.08 1vae h LYS 81 N -0.73 -0.08 -0.87 1.13 1.57 -0.54 -0.41 116.57 116.65 1vae h LYS 81 Ca -0.28 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 58.73 1vae h LYS 81 Cb 1.43 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.62 1vae h LYS 81 CO -0.08 -0.05 0.26 1.03 -0.57 0.00 0.00 179.45 180.04 1vae h SER 82 N -0.08 0.05 -0.45 0.86 0.87 -1.59 0.77 113.55 113.99 1vae h SER 82 Ca 0.14 0.19 -0.29 0.00 -1.23 0.00 0.00 61.79 60.60 1vae h SER 82 Cb 0.29 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.36 1vae h SER 82 CO -0.32 -0.13 0.38 0.49 -0.53 0.00 0.00 176.83 176.72 1vae n PHE 83 N -5.19 1.44 -2.27 2.24 3.72 -0.18 -4.93 117.46 112.29 1vae n PHE 83 Ca 0.21 -1.77 -0.42 0.00 -0.05 0.00 0.00 57.45 55.42 1vae n PHE 83 Cb 0.67 -0.86 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 1vae n PHE 83 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vae s GLY 84 N 0.22 2.06 -1.21 1.37 0.00 0.27 -2.51 107.32 107.52 1vae s GLY 84 Ca 0.29 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1vae s GLY 84 CO 0.01 2.31 0.00 0.61 0.00 0.00 0.00 173.10 176.02 1vae n GLY 85 N 3.46 0.29 2.85 0.20 0.00 -1.14 -4.85 105.19 106.00 1vae n GLY 85 Ca 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1vae n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vae s GLU 86 N -4.20 0.97 -0.08 1.61 2.02 -1.04 -4.92 118.70 113.06 1vae s GLU 86 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 1vae s GLU 86 Cb 0.00 -1.12 -0.08 0.00 0.10 0.00 0.00 34.13 33.03 1vae s GLU 86 CO 0.00 -0.21 2.06 -1.91 0.02 0.00 0.00 175.26 175.22 1vae n GLU 87 N 4.71 2.43 -4.64 1.61 2.13 -1.26 -3.87 120.64 121.75 1vae n GLU 87 Ca -0.14 0.83 -0.29 0.00 0.66 0.00 0.00 57.16 58.22 1vae n GLU 87 Cb 0.50 -3.03 -0.09 0.00 0.27 0.00 0.00 31.44 29.09 1vae n GLU 87 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1vae s VAL 88 N 5.81 1.40 -0.35 6.31 -7.23 -0.71 -4.98 120.40 120.65 1vae s VAL 88 Ca 0.94 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1vae s VAL 88 Cb -0.45 -2.57 0.10 0.00 0.56 0.00 0.00 36.38 34.03 1vae s VAL 88 CO 0.41 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.68 1vae s GLU 89 N -3.80 1.29 0.06 4.82 2.02 -1.26 -3.26 118.70 118.57 1vae s GLU 89 Ca 0.23 -1.71 -0.14 0.00 0.02 0.00 0.00 54.97 53.36 1vae s GLU 89 Cb 0.06 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 1vae s GLU 89 CO 0.11 -0.97 0.46 1.41 0.02 0.00 0.00 175.26 176.29 1vae s MET 90 N 0.99 3.94 -0.08 1.61 -2.45 -1.18 -1.47 119.30 120.66 1vae s MET 90 Ca 0.11 0.43 0.03 0.00 -1.25 0.00 0.00 55.69 55.01 1vae s MET 90 Cb -0.19 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 1vae s MET 90 CO -0.12 0.61 -0.18 0.15 1.05 0.00 0.00 175.02 176.54 1vae s LYS 91 N -1.45 2.82 0.04 4.11 3.01 -0.77 -1.65 119.74 125.85 1vae s LYS 91 Ca 0.29 -0.77 0.03 0.00 -1.01 0.00 0.00 55.97 54.52 1vae s LYS 91 Cb -0.16 -2.39 -0.02 0.00 -1.01 0.00 0.00 37.83 34.25 1vae s LYS 91 CO 0.16 0.40 -0.10 0.14 0.51 0.00 0.00 175.35 176.47 1vae s VAL 92 N -0.17 0.75 0.12 3.17 -7.23 -1.23 -0.86 120.40 114.95 1vae s VAL 92 Ca -0.02 -0.97 0.10 0.00 -1.81 0.00 0.00 61.98 59.28 1vae s VAL 92 Cb -0.14 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1vae s VAL 92 CO 0.03 -0.19 -0.25 0.68 -0.31 0.00 0.00 175.10 175.06 1vae s VAL 93 N -1.05 2.08 0.06 1.32 -7.23 -1.03 -1.24 120.40 113.30 1vae s VAL 93 Ca -0.04 -1.68 -0.14 0.00 -1.81 0.00 0.00 61.98 58.32 1vae s VAL 93 Cb -0.08 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 1vae s VAL 93 CO 0.01 0.05 0.44 -0.44 -0.31 0.00 0.00 175.10 174.86 1vae s SER 94 N -1.98 6.78 -0.18 4.85 0.01 -1.26 -3.07 113.70 118.85 1vae s SER 94 Ca 0.12 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 1vae s SER 94 Cb -0.10 -2.24 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1vae s SER 94 CO 0.05 0.23 0.29 -0.22 0.41 0.00 0.00 173.24 174.00 1vae s LEU 95 N -1.49 4.21 0.00 2.44 0.20 -1.26 -0.24 118.68 122.53 1vae s LEU 95 Ca 0.30 0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.55 1vae s LEU 95 Cb -0.16 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 1vae s LEU 95 CO 0.16 0.06 0.00 0.18 -0.29 0.00 0.00 176.35 176.47 1vae n LEU 96 N 3.85 0.00 -0.82 -0.68 7.99 -1.15 -4.99 117.00 121.20 1vae n LEU 96 Ca -0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.86 1vae n LEU 96 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 1vae n LEU 96 CO 0.39 -0.26 0.26 -0.67 -1.51 0.00 0.00 177.39 175.60 1vae n ASP 97 N -1.81 -0.20 0.00 -1.43 2.03 -1.26 -4.69 116.55 109.19 1vae n ASP 97 Ca 0.00 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 53.67 1vae n ASP 97 Cb 0.00 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1vae n ASP 97 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1vae n SER 98 N 0.07 -0.15 -4.35 1.67 2.88 -1.26 -4.73 113.62 107.75 1vae n SER 98 Ca -0.09 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.21 1vae n SER 98 Cb 0.69 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.03 1vae n SER 98 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vae s THR 99 N 0.00 1.98 0.06 2.46 -1.32 -1.26 -5.15 115.64 112.41 1vae s THR 99 Ca 0.00 -1.82 0.05 0.00 -1.21 0.00 0.00 61.69 58.71 1vae s THR 99 Cb 0.00 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 1vae s THR 99 CO 0.00 -0.14 -0.13 -0.55 -2.21 0.00 0.00 174.62 171.59 1vae s SER 100 N -2.36 1.51 -0.30 8.08 0.15 -1.26 -5.12 113.70 114.40 1vae s SER 100 Ca 0.14 -0.55 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 1vae s SER 100 Cb -0.08 -0.05 0.18 0.00 -1.71 0.00 0.00 66.02 64.36 1vae s SER 100 CO 0.07 -0.07 1.06 -0.44 1.20 0.00 0.00 173.24 175.06 1vae s SER 101 N -1.52 -0.40 -0.38 5.45 0.01 -1.26 -5.13 113.70 110.47 1vae s SER 101 Ca -0.02 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 1vae s SER 101 Cb -0.09 1.28 0.09 0.00 0.21 0.00 0.00 66.02 67.52 1vae s SER 101 CO 0.02 -0.07 0.15 -0.32 0.41 0.00 0.00 173.24 173.42 1vae s MET 102 N 2.96 2.07 -0.06 12.44 1.75 -1.26 -5.05 119.30 132.16 1vae s MET 102 Ca 0.15 -1.69 -0.29 0.00 -1.25 0.00 0.00 55.69 52.61 1vae s MET 102 Cb -0.05 -3.47 0.10 0.00 2.84 0.00 0.00 34.83 34.25 1vae s MET 102 CO -0.18 -0.96 0.88 -1.58 -0.65 0.00 0.00 175.02 172.53 1vae s HIS 103 N 1.16 -0.41 0.13 4.11 2.46 -1.26 -5.08 115.29 116.39 1vae s HIS 103 Ca 0.05 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.09 1vae s HIS 103 Cb -0.22 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.72 1vae s HIS 103 CO -0.04 -0.50 0.00 -1.71 -2.47 0.00 0.00 174.74 170.02 1vae n ASN 104 N 0.26 -0.07 -1.71 9.88 5.15 -1.26 -5.15 115.26 122.35 1vae n ASN 104 Ca -0.11 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1vae n ASN 104 Cb 0.60 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 1vae n ASN 104 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1vae n LYS 105 N -2.95 -4.51 -3.70 1.20 4.81 -1.26 -4.99 118.16 106.76 1vae n LYS 105 Ca 0.00 3.27 -0.30 0.00 -0.87 0.00 0.00 58.31 60.42 1vae n LYS 105 Cb 0.01 -3.47 -0.14 0.00 0.02 0.00 0.00 35.03 31.45 1vae n LYS 105 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1vae s SER 106 N -0.79 3.77 -0.35 3.14 0.15 -1.26 -5.06 113.70 113.30 1vae s SER 106 Ca 0.00 -2.11 0.01 0.00 0.70 0.00 0.00 55.95 54.54 1vae s SER 106 Cb 0.00 -0.89 0.11 0.00 -1.71 0.00 0.00 66.02 63.52 1vae s SER 106 CO 0.00 -0.34 0.13 -0.83 1.20 0.00 0.00 173.24 173.40 1vae s GLY 107 N 1.03 1.37 -0.06 9.45 0.00 -1.26 -4.98 107.32 112.86 1vae s GLY 107 Ca 0.14 -2.05 -0.26 0.00 0.00 0.00 0.00 44.72 42.55 1vae s GLY 107 CO -0.12 1.49 1.04 -0.56 0.00 0.00 0.00 173.10 174.96 1vae h PRO 108 N 7.65 0.09 -2.93 2.90 0.13 -2.06 -3.50 132.00 134.28 1vae h PRO 108 Ca -0.09 -0.08 0.30 0.00 -0.87 0.00 0.00 66.00 65.26 1vae h PRO 108 Cb 0.99 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.00 1vae h PRO 108 CO 0.48 0.81 -0.95 0.43 -0.23 0.00 0.00 178.00 178.55 1vae n SER 109 N -4.63 -6.96 -4.22 1.44 7.64 -1.26 -4.82 113.62 100.80 1vae n SER 109 Ca -0.09 1.09 -0.35 0.00 1.01 0.00 0.00 58.87 60.52 1vae n SER 109 Cb 0.42 -4.11 -0.14 0.00 -1.01 0.00 0.00 64.21 59.37 1vae n SER 109 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vae s SER 110 N -6.83 4.61 0.00 6.43 1.04 -1.26 -5.33 113.70 112.36 1vae s SER 110 Ca 0.00 -0.94 0.07 0.00 0.48 0.00 0.00 55.95 55.56 1vae s SER 110 Cb 0.00 -1.72 0.06 0.00 0.10 0.00 0.00 66.02 64.46 1vae s SER 110 CO 0.00 -0.17 0.73 0.61 0.98 0.00 0.00 173.24 175.38