#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 6.27 -3.82 1.61 3.41 -1.26 -4.81 113.62 115.02 1vae n SER 2 Ca 0.00 -2.64 -0.17 0.00 -0.26 0.00 0.00 58.87 55.80 1vae n SER 2 Cb 0.00 -1.51 -0.16 0.00 -0.26 0.00 0.00 64.21 62.28 1vae n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vae s SER 3 N 2.86 0.41 -0.26 4.04 0.01 -1.26 -5.11 113.70 114.39 1vae s SER 3 Ca 0.58 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 1vae s SER 3 Cb 0.16 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1vae s SER 3 CO -0.05 -0.09 1.53 -0.83 0.41 0.00 0.00 173.24 174.20 1vae s GLY 4 N 0.97 1.23 -0.13 3.44 0.00 -1.26 -4.97 107.32 106.59 1vae s GLY 4 Ca -0.10 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1vae s GLY 4 CO -0.02 2.90 0.03 -0.56 0.00 0.00 0.00 173.10 175.45 1vae s SER 5 N 3.95 2.22 0.12 1.64 0.01 -1.26 -5.12 113.70 115.26 1vae s SER 5 Ca 0.67 -0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.23 1vae s SER 5 Cb -0.22 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.61 1vae s SER 5 CO 0.28 -0.26 0.65 -0.94 0.41 0.00 0.00 173.24 173.38 1vae s SER 6 N 1.95 -0.55 0.00 2.44 1.04 -1.26 -5.18 113.70 112.15 1vae s SER 6 Ca 0.02 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1vae s SER 6 Cb -0.15 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1vae s SER 6 CO -0.07 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1vae n GLY 7 N -0.25 1.19 2.76 7.32 0.00 -1.26 -5.09 105.19 109.86 1vae n GLY 7 Ca -0.16 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1vae n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vae s SER 8 N -1.00 -0.01 -0.47 1.61 0.01 -1.26 -5.03 113.70 107.55 1vae s SER 8 Ca 0.00 -1.81 0.04 0.00 1.31 0.00 0.00 55.95 55.49 1vae s SER 8 Cb 0.00 0.98 0.22 0.00 0.21 0.00 0.00 66.02 67.44 1vae s SER 8 CO 0.00 -0.16 0.89 0.00 0.41 0.00 0.00 173.24 174.38 1vae n ALA 9 N 3.58 -2.02 -3.62 1.44 0.00 -1.26 -5.14 120.51 113.49 1vae n ALA 9 Ca 0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 1vae n ALA 9 Cb 0.51 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1vae n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1vae s SER 10 N -0.41 -0.12 0.17 0.00 0.01 -1.26 -5.13 113.70 106.95 1vae s SER 10 Ca 0.30 0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.37 1vae s SER 10 Cb 0.14 0.10 -0.17 0.00 0.21 0.00 0.00 66.02 66.30 1vae s SER 10 CO -0.15 -0.12 0.65 0.29 0.41 0.00 0.00 173.24 174.32 1vae n LYS 11 N 0.48 0.09 -4.02 12.44 5.02 -1.26 -4.91 118.16 125.99 1vae n LYS 11 Ca -0.02 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 1vae n LYS 11 Cb 0.58 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 1vae n LYS 11 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vae s ARG 12 N -0.83 3.94 0.20 1.97 0.52 -1.13 -5.04 118.95 118.57 1vae s ARG 12 Ca 0.69 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 55.64 1vae s ARG 12 Cb -0.98 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 31.25 1vae s ARG 12 CO 0.56 0.25 -0.21 -1.58 0.02 0.00 0.00 175.30 174.34 1vae s TRP 13 N 0.43 2.36 0.82 -0.53 0.52 -1.26 -0.97 118.94 120.31 1vae s TRP 13 Ca 0.03 -0.33 -0.05 0.00 0.02 0.00 0.00 56.10 55.76 1vae s TRP 13 Cb -0.13 -1.15 0.17 0.00 -1.15 0.00 0.00 33.47 31.21 1vae s TRP 13 CO 0.01 0.53 1.12 0.45 0.02 0.00 0.00 176.95 179.08 1vae s SER 14 N -2.80 3.79 0.45 2.95 0.15 -0.68 -4.96 113.70 112.60 1vae s SER 14 Ca 0.23 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 1vae s SER 14 Cb -0.08 0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.24 1vae s SER 14 CO 0.11 -2.26 1.04 -2.16 1.20 0.00 0.00 173.24 171.18 1vae s PRO 15 N -5.42 3.95 0.04 5.44 0.04 -1.26 -4.49 135.00 133.30 1vae s PRO 15 Ca 0.70 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1vae s PRO 15 Cb -0.04 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1vae s PRO 15 CO 0.48 -0.31 1.17 -1.25 0.04 0.00 0.00 177.00 177.13 1vae s PRO 16 N -2.93 4.44 0.50 0.56 0.04 -1.26 -4.58 135.00 131.78 1vae s PRO 16 Ca 0.63 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 1vae s PRO 16 Cb -0.19 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1vae s PRO 16 CO 0.23 -0.26 0.86 -0.98 0.04 0.00 0.00 177.00 176.89 1vae s ARG 17 N 1.22 3.63 -0.44 4.56 1.70 0.35 -4.83 118.95 125.13 1vae s ARG 17 Ca 0.58 0.44 -0.12 0.00 -0.47 0.00 0.00 55.73 56.15 1vae s ARG 17 Cb -0.28 -2.29 0.07 0.00 -0.57 0.00 0.00 34.95 31.89 1vae s ARG 17 CO 0.28 -0.27 0.31 0.20 -1.08 0.00 0.00 175.30 174.74 1vae s GLY 18 N -3.88 2.00 0.04 3.88 0.00 -1.26 -3.40 107.32 104.70 1vae s GLY 18 Ca 0.51 -2.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1vae s GLY 18 CO 0.44 1.00 0.21 -0.42 0.00 0.00 0.00 173.10 174.32 1vae s ILE 19 N 1.52 5.40 -0.16 0.90 1.01 -0.91 -4.96 121.20 123.99 1vae s ILE 19 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1vae s ILE 19 Cb -0.23 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1vae s ILE 19 CO 0.04 0.19 0.10 -1.38 0.00 0.00 0.00 174.94 173.89 1vae s HIS 20 N -1.46 0.13 0.36 3.97 -3.43 -1.26 -3.16 115.29 110.44 1vae s HIS 20 Ca 0.33 -0.20 -0.13 0.00 -0.80 0.00 0.00 55.06 54.25 1vae s HIS 20 Cb -0.13 -0.64 0.04 0.00 -1.43 0.00 0.00 32.58 30.42 1vae s HIS 20 CO 0.25 -0.50 0.70 -0.59 -2.00 0.00 0.00 174.74 172.61 1vae s PHE 21 N 2.16 0.31 -0.18 0.38 -0.71 -1.23 -4.74 117.98 113.97 1vae s PHE 21 Ca 0.03 -0.85 -0.01 0.00 -1.04 0.00 0.00 56.93 55.05 1vae s PHE 21 Cb -0.16 0.60 -0.00 0.00 -1.21 0.00 0.00 43.02 42.25 1vae s PHE 21 CO -0.09 -1.42 -0.12 0.99 -1.34 0.00 0.00 175.22 173.24 1vae s THR 22 N -2.70 2.84 1.07 -4.49 2.01 -1.26 -2.07 115.64 111.04 1vae s THR 22 Ca 0.19 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.36 1vae s THR 22 Cb -0.04 -2.24 0.18 0.00 0.01 0.00 0.00 72.50 70.41 1vae s THR 22 CO 0.13 0.49 0.73 0.52 -0.69 0.00 0.00 174.62 175.80 1vae n VAL 23 N 4.43 0.00 -3.65 3.82 0.31 -1.26 -4.85 118.33 117.14 1vae n VAL 23 Ca -0.19 -0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 63.59 1vae n VAL 23 Cb 0.51 -0.85 -0.12 0.00 -0.91 0.00 0.00 33.84 32.47 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 -4.13 1.35 -0.61 5.55 2.02 -1.26 -2.85 118.70 118.77 1vae s GLU 24 Ca 0.64 -2.22 -0.04 0.00 0.02 0.00 0.00 54.97 53.36 1vae s GLU 24 Cb -0.21 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.73 1vae s GLU 24 CO 0.64 -1.25 1.96 -0.85 0.02 0.00 0.00 175.26 175.79 1vae n GLU 25 N 3.12 1.60 0.00 1.61 0.28 -1.26 -2.08 120.64 123.91 1vae n GLU 25 Ca 0.16 -1.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.03 1vae n GLU 25 Cb 0.38 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.01 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 3.57 0.14 3.09 -1.84 0.00 -1.26 -5.03 105.19 103.86 1vae n GLY 26 Ca 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.98 -1.11 0.29 1.61 2.15 -0.88 -5.15 116.67 112.60 1vae s ASP 27 Ca 0.00 0.11 -0.18 0.00 0.43 0.00 0.00 52.55 52.91 1vae s ASP 27 Cb 0.00 1.81 -0.09 0.00 -0.30 0.00 0.00 42.92 44.34 1vae s ASP 27 CO 0.00 -0.31 0.76 -0.76 -0.17 0.00 0.00 175.17 174.69 1vae s LEU 28 N 2.76 4.18 -0.21 -1.34 1.43 -1.25 -4.72 118.68 119.53 1vae s LEU 28 Ca 0.11 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 1vae s LEU 28 Cb -0.11 -3.91 0.52 0.00 0.03 0.00 0.00 46.19 42.72 1vae s LEU 28 CO -0.26 -0.11 1.44 0.61 0.23 0.00 0.00 176.35 178.25 1vae n GLY 29 N 0.11 2.91 3.85 -3.19 0.00 -1.26 -4.92 105.19 102.69 1vae n GLY 29 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.20 0.01 0.30 1.61 -0.71 -1.26 -2.73 117.98 113.00 1vae s PHE 30 Ca 0.37 -0.28 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 1vae s PHE 30 Cb 0.30 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.72 1vae s PHE 30 CO 0.10 -0.64 0.32 -0.08 -1.34 0.00 0.00 175.22 173.58 1vae s THR 31 N -2.34 0.00 -0.12 -4.49 -1.32 -1.19 -4.94 115.64 101.25 1vae s THR 31 Ca 0.21 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 58.86 1vae s THR 31 Cb -0.01 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1vae s THR 31 CO 0.02 0.00 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.51 1vae s LEU 32 N -3.27 1.76 0.23 9.08 1.43 -1.26 -2.73 118.68 123.92 1vae s LEU 32 Ca 0.36 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1vae s LEU 32 Cb 0.02 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 1vae s LEU 32 CO 0.21 0.01 -0.05 0.00 0.23 0.00 0.00 176.35 176.75 1vae s ARG 33 N 1.05 1.36 0.87 1.70 1.70 -1.26 -4.91 118.95 119.44 1vae s ARG 33 Ca -0.05 -1.66 0.00 0.00 -0.47 0.00 0.00 55.73 53.55 1vae s ARG 33 Cb -0.15 -0.84 0.00 0.00 -0.57 0.00 0.00 34.95 33.39 1vae s ARG 33 CO -0.03 0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 1vae n GLY 34 N -0.43 -0.90 0.05 3.88 0.00 -1.26 -3.17 105.19 103.36 1vae n GLY 34 Ca -0.06 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.18 0.00 -3.64 1.61 6.94 -1.26 -4.72 115.26 114.38 1vae n ASN 35 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.49 1vae n ASN 35 Cb 0.00 -0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.33 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 -0.08 0.00 0.11 5.53 -1.32 -1.26 -3.86 115.64 114.76 1vae s THR 36 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 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 0.00 0.00 1.15 -2.16 -2.21 0.00 0.00 174.62 171.40 1vae s PRO 37 N 0.19 4.51 0.41 7.08 0.04 -1.25 -5.04 135.00 140.93 1vae s PRO 37 Ca 0.04 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1vae s PRO 37 Cb -0.05 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1vae s PRO 37 CO -0.09 -0.10 1.17 1.33 0.04 0.00 0.00 177.00 179.35 1vae n VAL 38 N 3.19 2.47 -2.66 -0.36 0.24 -1.25 -4.76 118.33 115.19 1vae n VAL 38 Ca 0.06 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 61.80 1vae n VAL 38 Cb 0.46 -1.39 0.03 0.00 -1.47 0.00 0.00 33.84 31.47 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 0.13 0.65 -3.97 7.34 6.02 -1.19 -1.87 117.38 124.49 1vae n GLN 39 Ca 0.08 -0.77 -0.30 0.00 -0.01 0.00 0.00 57.00 55.99 1vae n GLN 39 Cb 0.39 -0.12 -0.16 0.00 1.02 0.00 0.00 30.24 31.36 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 -0.31 1.51 -0.79 5.09 1.01 0.39 -4.22 120.40 123.08 1vae s VAL 40 Ca 0.17 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1vae s VAL 40 Cb -0.01 -1.58 0.20 0.00 0.00 0.00 0.00 36.38 34.99 1vae s VAL 40 CO 0.11 0.21 0.68 -2.28 0.00 0.00 0.00 175.10 173.81 1vae s HIS 41 N 1.47 3.69 0.16 5.22 2.46 -1.10 -2.89 115.29 124.30 1vae s HIS 41 Ca 0.00 -2.53 -0.33 0.00 0.47 0.00 0.00 55.06 52.67 1vae s HIS 41 Cb -0.15 -3.48 -0.13 0.00 -0.13 0.00 0.00 32.58 28.69 1vae s HIS 41 CO -0.08 -0.88 1.69 1.19 -2.47 0.00 0.00 174.74 174.19 1vae n PHE 42 N 3.36 2.53 -0.08 3.88 3.72 -1.26 -3.16 117.46 126.45 1vae n PHE 42 Ca 0.14 0.10 -0.07 0.00 -0.05 0.00 0.00 57.45 57.57 1vae n PHE 42 Cb 0.41 -2.63 -0.13 0.00 -0.94 0.00 0.00 39.48 36.19 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 4.13 0.00 -4.07 4.37 4.77 -1.10 -4.93 117.00 120.16 1vae n LEU 43 Ca 0.17 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.88 1vae n LEU 43 Cb 0.33 0.37 -0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1vae n LEU 43 CO 0.64 0.37 -0.49 -0.62 -1.33 0.00 0.00 177.39 175.96 1vae s ASP 44 N -4.93 2.23 0.00 -1.43 2.15 -1.22 -5.00 116.67 108.47 1vae s ASP 44 Ca -0.08 -0.39 0.22 0.00 0.43 0.00 0.00 52.55 52.73 1vae s ASP 44 Cb 0.05 -1.02 0.94 0.00 -0.30 0.00 0.00 42.92 42.60 1vae s ASP 44 CO 0.67 0.05 1.70 -0.81 -0.17 0.00 0.00 175.17 176.61 1vae n PRO 45 N 3.89 0.02 -3.20 4.34 -0.04 -1.26 -3.67 135.00 135.09 1vae n PRO 45 Ca -0.21 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1vae n PRO 45 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1vae n PRO 45 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1vae n HIS 46 N -1.49 1.53 0.00 0.54 8.25 -1.26 -4.73 115.22 118.07 1vae n HIS 46 Ca 0.06 -3.85 0.00 0.00 -0.26 0.00 0.00 57.72 53.67 1vae n HIS 46 Cb 0.25 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.92 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 -0.89 -0.22 0.00 7.64 -1.26 -4.75 113.62 114.14 1vae n SER 48 Ca 0.00 0.36 0.01 0.00 1.01 0.00 0.00 58.87 60.25 1vae n SER 48 Cb 0.00 0.99 0.13 0.00 -1.01 0.00 0.00 64.21 64.31 1vae n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vae h ALA 49 N 0.00 0.87 -0.05 -0.43 0.00 -1.92 1.52 119.26 119.26 1vae h ALA 49 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vae h ALA 49 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vae h ALA 49 CO 0.00 -0.15 0.01 1.03 0.00 0.00 0.00 179.25 180.14 1vae h SER 50 N 0.47 0.07 0.54 0.00 0.87 -1.88 -1.79 113.55 111.82 1vae h SER 50 Ca 0.33 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1vae h SER 50 Cb 0.41 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1vae h SER 50 CO -0.31 0.27 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.15 1vae h LEU 51 N -0.13 0.00 0.53 2.23 3.38 -1.59 -2.98 115.31 116.75 1vae h LEU 51 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1vae h LEU 51 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1vae h LEU 51 CO -0.00 0.04 -0.25 0.00 0.09 0.00 0.00 178.44 178.31 1vae h ALA 52 N 1.96 -0.78 0.00 1.53 0.00 0.29 -3.47 119.26 118.78 1vae h ALA 52 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vae h ALA 52 Cb 0.32 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vae h ALA 52 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.93 1vae n GLY 53 N -0.20 0.00 3.41 0.00 0.00 -0.75 -4.69 105.19 102.97 1vae n GLY 53 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 2.45 0.26 4.61 0.00 -1.03 -4.85 121.76 123.20 1vae s ALA 54 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.27 1vae s ALA 54 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1vae s ALA 54 CO 0.00 0.28 0.07 -1.59 0.00 0.00 0.00 175.76 174.52 1vae s LYS 55 N -3.17 1.43 0.15 0.00 -2.85 -1.26 -4.57 119.74 109.47 1vae s LYS 55 Ca 0.24 -1.76 -0.31 0.00 -1.00 0.00 0.00 55.97 53.14 1vae s LYS 55 Cb -0.05 -0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 35.21 1vae s LYS 55 CO 0.11 -0.24 1.36 -2.00 0.10 0.00 0.00 175.35 174.68 1vae s GLU 56 N -3.98 4.34 0.00 1.78 2.12 -1.26 -2.81 118.70 118.89 1vae s GLU 56 Ca 0.35 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.75 1vae s GLU 56 Cb 0.08 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1vae s GLU 56 CO 0.13 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1vae n GLY 57 N 3.05 0.84 3.73 -1.50 0.00 -1.14 -5.03 105.19 105.15 1vae n GLY 57 Ca 0.09 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.24 7.26 -0.32 1.61 1.01 -1.12 -4.67 116.67 118.19 1vae s ASP 58 Ca 0.00 1.51 -0.09 0.00 0.71 0.00 0.00 52.55 54.69 1vae s ASP 58 Cb 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1vae s ASP 58 CO 0.00 -0.07 0.14 -0.31 0.21 0.00 0.00 175.17 175.14 1vae s TYR 59 N 0.28 3.19 0.16 4.23 1.51 -1.14 -0.46 117.35 125.12 1vae s TYR 59 Ca 0.42 -0.82 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1vae s TYR 59 Cb -0.21 -2.34 -0.11 0.00 -0.11 0.00 0.00 41.96 39.20 1vae s TYR 59 CO 0.24 -0.55 1.73 0.42 -1.11 0.00 0.00 175.55 176.29 1vae s ILE 60 N 1.55 2.40 -0.08 2.71 1.01 -0.78 -2.50 121.20 125.52 1vae s ILE 60 Ca 0.03 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1vae s ILE 60 Cb -0.18 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1vae s ILE 60 CO 0.05 0.01 -0.03 1.33 0.00 0.00 0.00 174.94 176.30 1vae n VAL 61 N 4.32 0.50 -3.48 2.92 0.24 -0.51 -4.07 118.33 118.25 1vae n VAL 61 Ca 0.16 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 1vae n VAL 61 Cb 0.37 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 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 -4.38 -0.60 -0.15 -1.34 0.01 -1.23 0.16 113.70 106.18 1vae s SER 62 Ca -0.08 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 1vae s SER 62 Cb 0.03 0.56 0.05 0.00 0.21 0.00 0.00 66.02 66.87 1vae s SER 62 CO 0.24 -0.79 0.03 -0.63 0.41 0.00 0.00 173.24 172.50 1vae s ILE 63 N -2.50 0.42 0.00 1.44 1.01 -1.10 -0.72 121.20 119.74 1vae s ILE 63 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1vae s ILE 63 Cb -0.01 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1vae s ILE 63 CO -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.89 1vae n GLN 64 N 5.10 0.00 0.00 2.79 1.13 0.49 -2.62 117.38 124.27 1vae n GLN 64 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1vae n GLN 64 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.83 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 0.00 0.00 3.38 1.08 0.00 -1.26 -4.73 105.19 103.66 1vae n GLY 65 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.72 -0.35 1.61 1.01 -1.08 -5.11 120.40 118.20 1vae s VAL 66 Ca 0.00 -2.19 -0.21 0.00 0.00 0.00 0.00 61.98 59.58 1vae s VAL 66 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1vae s VAL 66 CO 0.00 -0.48 0.67 -0.62 0.00 0.00 0.00 175.10 174.67 1vae s ASP 67 N -3.37 6.47 -0.27 3.32 2.15 -1.26 -2.73 116.67 120.98 1vae s ASP 67 Ca 0.25 0.25 0.11 0.00 0.43 0.00 0.00 52.55 53.59 1vae s ASP 67 Cb 0.01 -2.34 0.47 0.00 -0.30 0.00 0.00 42.92 40.75 1vae s ASP 67 CO 0.09 -0.60 1.18 0.00 -0.17 0.00 0.00 175.17 175.66 1vae n LYS 69 N -0.70 0.76 -0.09 0.00 4.81 -1.04 -3.68 118.16 118.22 1vae n LYS 69 Ca 0.34 -0.09 -0.11 0.00 -0.87 0.00 0.00 58.31 57.59 1vae n LYS 69 Cb 0.92 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 34.37 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 -2.48 0.00 -0.93 5.64 7.02 -1.26 -3.97 117.44 121.45 1vae n TRP 70 Ca -0.19 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 55.95 1vae n TRP 70 Cb 0.86 -0.77 0.09 0.00 -2.42 0.00 0.00 31.31 29.07 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 -2.83 -1.74 0.00 -0.99 4.77 -1.26 -4.84 117.00 110.12 1vae n LEU 71 Ca -0.30 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1vae n LEU 71 Cb 0.94 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1vae n LEU 71 CO 0.27 -4.24 0.00 0.35 -1.33 0.00 0.00 177.39 172.43 1vae n THR 72 N -3.06 0.00 0.08 -5.08 -2.24 -1.26 -4.49 114.28 98.22 1vae n THR 72 Ca 0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.61 1vae n THR 72 Cb 0.53 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.37 0.40 2.28 2.07 -1.85 -3.05 116.25 117.48 1vae h VAL 73 Ca 0.00 -2.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 1vae h VAL 73 Cb 0.00 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1vae h VAL 73 CO 0.00 0.73 -0.19 -1.28 0.02 0.00 0.00 177.57 176.85 1vae h SER 74 N -0.00 -0.45 -0.97 0.57 0.87 -1.95 0.24 113.55 111.86 1vae h SER 74 Ca -0.17 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1vae h SER 74 Cb 1.80 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 63.74 1vae h SER 74 CO 0.20 -0.26 -0.48 -0.62 -0.53 0.00 0.00 176.83 175.14 1vae n GLU 75 N -3.78 -0.33 0.20 2.24 1.02 -1.26 -0.16 120.64 118.57 1vae n GLU 75 Ca -0.07 1.48 -0.15 0.00 -0.02 0.00 0.00 57.16 58.41 1vae n GLU 75 Cb 0.21 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.37 1vae n GLU 75 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vae h VAL 76 N 0.00 0.45 -0.95 2.62 2.07 -1.57 0.11 116.25 118.98 1vae h VAL 76 Ca 0.24 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.04 1vae h VAL 76 Cb 0.49 0.45 -0.17 0.00 -1.52 0.00 0.00 31.29 30.54 1vae h VAL 76 CO -0.94 0.00 0.19 0.24 0.02 0.00 0.00 177.57 177.08 1vae h MET 77 N -0.58 0.08 -0.16 1.57 2.86 0.29 1.65 114.93 120.64 1vae h MET 77 Ca -0.02 -0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 1vae h MET 77 Cb 0.52 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1vae h MET 77 CO -0.02 0.05 -0.60 0.87 1.06 0.00 0.00 176.91 178.27 1vae h LYS 78 N 0.08 0.53 0.00 1.72 1.57 0.05 0.36 116.57 120.88 1vae h LYS 78 Ca 0.62 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1vae h LYS 78 Cb 1.35 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 1vae h LYS 78 CO -0.79 0.98 -0.12 1.25 -0.57 0.00 0.00 179.45 180.19 1vae h LEU 79 N 0.40 0.00 0.04 2.94 6.46 0.46 0.21 115.31 125.82 1vae h LEU 79 Ca -0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.49 1vae h LEU 79 Cb 1.16 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 1vae h LEU 79 CO 0.11 0.12 -1.45 -0.07 -0.62 0.00 0.00 178.44 176.54 1vae h LEU 80 N 0.00 0.12 -0.25 2.25 3.38 0.89 -3.33 115.31 118.37 1vae h LEU 80 Ca -0.00 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 57.37 1vae h LEU 80 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1vae h LEU 80 CO 0.02 1.59 0.08 0.11 0.09 0.00 0.00 178.44 180.32 1vae h LYS 81 N -0.71 0.19 -1.04 1.13 1.57 -0.14 -1.17 116.57 116.40 1vae h LYS 81 Ca -0.37 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 58.69 1vae h LYS 81 Cb 1.50 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.64 1vae h LYS 81 CO -0.13 0.12 0.62 1.03 -0.57 0.00 0.00 179.45 180.53 1vae h SER 82 N 0.19 0.55 -0.73 0.86 0.87 -0.76 0.71 113.55 115.24 1vae h SER 82 Ca 0.11 0.14 -0.49 0.00 -1.23 0.00 0.00 61.79 60.32 1vae h SER 82 Cb 0.08 0.06 -0.21 0.00 -0.44 0.00 0.00 62.40 61.89 1vae h SER 82 CO -0.12 0.01 0.64 0.49 -0.53 0.00 0.00 176.83 177.32 1vae n PHE 83 N -4.86 2.36 -2.18 2.24 3.72 -0.45 -4.96 117.46 113.32 1vae n PHE 83 Ca 0.29 -2.47 -0.42 0.00 -0.05 0.00 0.00 57.45 54.80 1vae n PHE 83 Cb 0.89 -1.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -0.78 1.98 -1.47 1.37 0.00 0.25 -2.55 107.32 106.11 1vae s GLY 84 Ca 0.47 1.10 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 1vae s GLY 84 CO -0.01 2.34 0.40 0.61 0.00 0.00 0.00 173.10 176.44 1vae n GLY 85 N 3.49 -0.41 2.75 0.20 0.00 -1.13 -4.87 105.19 105.23 1vae n GLY 85 Ca 0.11 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.41 0.38 -0.19 1.61 2.02 -1.06 -4.92 118.70 111.14 1vae s GLU 86 Ca 0.20 0.18 -0.31 0.00 0.02 0.00 0.00 54.97 55.06 1vae s GLU 86 Cb -0.09 -0.78 -0.08 0.00 0.10 0.00 0.00 34.13 33.28 1vae s GLU 86 CO 0.24 -0.29 2.12 -1.91 0.02 0.00 0.00 175.26 175.45 1vae n GLU 87 N 5.07 1.95 -4.65 1.61 2.13 -1.26 -3.98 120.64 121.51 1vae n GLU 87 Ca -0.08 0.61 -0.32 0.00 0.66 0.00 0.00 57.16 58.03 1vae n GLU 87 Cb 0.50 -2.95 -0.07 0.00 0.27 0.00 0.00 31.44 29.19 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 6.83 1.28 -0.34 6.31 -7.23 -0.88 -4.99 120.40 121.38 1vae s VAL 88 Ca 1.00 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1vae s VAL 88 Cb -0.52 -2.22 0.10 0.00 0.56 0.00 0.00 36.38 34.31 1vae s VAL 88 CO 0.42 0.00 0.10 -0.70 -0.31 0.00 0.00 175.10 174.61 1vae s GLU 89 N -3.91 1.14 -0.19 4.82 2.12 -1.26 -3.47 118.70 117.94 1vae s GLU 89 Ca 0.11 -1.56 -0.14 0.00 0.36 0.00 0.00 54.97 53.73 1vae s GLU 89 Cb 0.02 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1vae s GLU 89 CO 0.06 -0.99 0.32 1.41 -0.54 0.00 0.00 175.26 175.52 1vae s MET 90 N 1.11 4.19 -0.07 4.30 -2.45 -1.19 0.18 119.30 125.38 1vae s MET 90 Ca 0.11 0.09 -0.02 0.00 -1.25 0.00 0.00 55.69 54.62 1vae s MET 90 Cb -0.19 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 1vae s MET 90 CO -0.15 0.08 0.02 0.15 1.05 0.00 0.00 175.02 176.17 1vae s LYS 91 N 0.97 3.00 0.07 4.11 1.02 0.10 -2.15 119.74 126.86 1vae s LYS 91 Ca 0.16 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.75 1vae s LYS 91 Cb -0.14 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1vae s LYS 91 CO 0.06 0.69 -0.07 0.14 -0.92 0.00 0.00 175.35 175.26 1vae s VAL 92 N -0.96 0.59 0.27 3.17 -7.23 -1.22 -1.43 120.40 113.60 1vae s VAL 92 Ca 0.15 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 1vae s VAL 92 Cb -0.11 -1.30 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 1vae s VAL 92 CO 0.05 -0.72 0.03 0.68 -0.31 0.00 0.00 175.10 174.82 1vae s VAL 93 N -2.90 1.07 -0.14 1.32 -7.23 -1.04 -0.49 120.40 110.98 1vae s VAL 93 Ca 0.04 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 1vae s VAL 93 Cb 0.00 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1vae s VAL 93 CO -0.04 -0.16 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.14 1vae s SER 94 N -3.38 5.04 -0.18 4.85 0.01 -1.26 -2.88 113.70 115.90 1vae s SER 94 Ca 0.33 -0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.27 1vae s SER 94 Cb 0.07 -1.74 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 1vae s SER 94 CO 0.12 0.22 0.99 -0.22 0.41 0.00 0.00 173.24 174.76 1vae s LEU 95 N 0.09 4.15 -0.17 2.44 2.96 -1.26 -1.69 118.68 125.20 1vae s LEU 95 Ca 0.01 1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1vae s LEU 95 Cb -0.13 -3.49 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1vae s LEU 95 CO 0.02 -0.56 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.61 1vae s LEU 96 N 2.68 2.59 0.33 -0.68 1.43 -0.15 -5.00 118.68 119.88 1vae s LEU 96 Ca 0.44 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1vae s LEU 96 Cb -0.16 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1vae s LEU 96 CO 0.11 0.05 0.17 1.51 0.23 0.00 0.00 176.35 178.42 1vae s ASP 97 N 1.01 4.85 1.27 2.29 1.47 -1.26 -2.86 116.67 123.44 1vae s ASP 97 Ca -0.01 -0.68 -0.18 0.00 1.18 0.00 0.00 52.55 52.85 1vae s ASP 97 Cb -0.15 -0.82 0.28 0.00 -0.34 0.00 0.00 42.92 41.89 1vae s ASP 97 CO -0.02 -0.29 0.85 -1.20 0.68 0.00 0.00 175.17 175.19 1vae n SER 98 N -1.19 -2.52 -4.93 2.11 7.64 -1.26 -5.01 113.62 108.45 1vae n SER 98 Ca -0.03 -0.95 -0.27 0.00 1.01 0.00 0.00 58.87 58.62 1vae n SER 98 Cb 0.61 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1vae n SER 98 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1vae s THR 99 N -2.42 5.26 -0.14 0.44 -1.32 -1.26 -5.10 115.64 111.09 1vae s THR 99 Ca 0.58 -0.49 -0.34 0.00 -1.21 0.00 0.00 61.69 60.24 1vae s THR 99 Cb -0.07 -3.73 0.13 0.00 -1.51 0.00 0.00 72.50 67.32 1vae s THR 99 CO 0.46 -0.13 1.17 -0.44 -2.21 0.00 0.00 174.62 173.47 1vae s SER 100 N -3.18 -0.16 0.00 8.08 0.01 -1.26 -5.17 113.70 112.02 1vae s SER 100 Ca 0.37 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1vae s SER 100 Cb -0.11 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1vae s SER 100 CO 0.29 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.44 1vae n SER 101 N -0.16 0.00 -3.69 2.44 7.64 -1.26 -5.17 113.62 113.43 1vae n SER 101 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 1vae n SER 101 Cb 0.59 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.67 1vae n SER 101 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1vae s MET 102 N 0.00 0.26 0.27 1.43 1.75 -1.26 -5.16 119.30 116.59 1vae s MET 102 Ca 0.00 0.76 0.02 0.00 -1.25 0.00 0.00 55.69 55.21 1vae s MET 102 Cb 0.00 0.02 -0.05 0.00 2.84 0.00 0.00 34.83 37.64 1vae s MET 102 CO 0.00 -0.21 0.11 -1.01 -0.65 0.00 0.00 175.02 173.26 1vae s HIS 103 N 1.88 1.53 0.00 4.11 3.76 -1.26 -5.17 115.29 120.15 1vae s HIS 103 Ca -0.05 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.63 1vae s HIS 103 Cb -0.11 -0.88 0.00 0.00 1.11 0.00 0.00 32.58 32.71 1vae s HIS 103 CO -0.10 -0.39 0.00 0.09 -0.85 0.00 0.00 174.74 173.49 1vae n ASN 104 N -0.56 0.00 -3.64 1.40 3.02 -1.26 -5.19 115.26 109.03 1vae n ASN 104 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1vae n ASN 104 Cb 0.66 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.82 1vae n ASN 104 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1vae s LYS 105 N -2.00 0.65 0.01 3.52 2.36 -1.26 -5.19 119.74 117.84 1vae s LYS 105 Ca 0.00 -0.33 -0.29 0.00 -2.55 0.00 0.00 55.97 52.80 1vae s LYS 105 Cb 0.00 0.24 0.10 0.00 -1.05 0.00 0.00 37.83 37.12 1vae s LYS 105 CO 0.00 -0.30 0.97 -1.12 1.55 0.00 0.00 175.35 176.46 1vae s SER 106 N -2.77 -0.27 0.00 1.43 0.01 -1.26 -5.14 113.70 105.70 1vae s SER 106 Ca 0.12 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1vae s SER 106 Cb 0.01 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1vae s SER 106 CO -0.03 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1vae n GLY 107 N -0.30 -1.17 3.50 3.44 0.00 -1.26 -5.18 105.19 104.22 1vae n GLY 107 Ca -0.07 0.92 -0.28 0.00 0.00 0.00 0.00 46.02 46.59 1vae n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vae n PRO 108 N 0.00 -2.13 -3.63 1.61 -0.04 -1.26 -5.10 135.00 124.45 1vae n PRO 108 Ca 0.00 -1.81 0.02 0.00 -0.04 0.00 0.00 63.50 61.67 1vae n PRO 108 Cb 0.00 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1vae n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vae s SER 109 N -4.98 -0.03 0.39 3.54 0.15 -1.26 -5.10 113.70 106.42 1vae s SER 109 Ca 0.70 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1vae s SER 109 Cb -0.04 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1vae s SER 109 CO 0.51 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.50 1vae n SER 110 N -0.55 -2.70 0.00 5.45 2.88 -1.26 -5.38 113.62 112.06 1vae n SER 110 Ca -0.08 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1vae n SER 110 Cb 0.63 2.60 0.00 0.00 -0.75 0.00 0.00 64.21 66.69 1vae n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42