#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vae s SER 2 N 0.00 7.14 -0.18 1.61 0.15 -1.26 -4.97 113.70 116.20 1vae s SER 2 Ca 0.00 1.37 -0.14 0.00 0.70 0.00 0.00 55.95 57.88 1vae s SER 2 Cb 0.00 -2.45 -0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1vae s SER 2 CO 0.00 -0.03 -0.22 -1.20 1.20 0.00 0.00 173.24 172.98 1vae n SER 3 N 3.14 1.88 -1.30 5.45 7.64 -1.26 -5.10 113.62 124.06 1vae n SER 3 Ca -0.02 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1vae n SER 3 Cb 0.51 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1vae n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vae n GLY 4 N 1.51 -2.51 3.59 0.23 0.00 -1.26 -5.12 105.19 101.63 1vae n GLY 4 Ca -0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 1vae n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vae s SER 5 N 0.00 -1.17 0.08 1.61 0.01 -1.26 -5.08 113.70 107.89 1vae s SER 5 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1vae s SER 5 Cb 0.00 2.29 0.00 0.00 0.21 0.00 0.00 66.02 68.52 1vae s SER 5 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 1vae n SER 6 N 5.45 -9.40 0.01 2.44 7.64 -1.26 -5.05 113.62 113.45 1vae n SER 6 Ca -0.11 1.71 -0.00 0.00 1.01 0.00 0.00 58.87 61.48 1vae n SER 6 Cb 0.49 -5.18 -0.00 0.00 -1.01 0.00 0.00 64.21 58.52 1vae n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vae n GLY 7 N 1.86 0.02 2.36 0.23 0.00 -1.26 -5.13 105.19 103.26 1vae n GLY 7 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.84 -4.39 -2.47 1.61 2.88 -1.26 -4.84 113.62 102.31 1vae n SER 8 Ca -0.00 1.44 -0.02 0.00 -1.33 0.00 0.00 58.87 58.95 1vae n SER 8 Cb 0.01 -4.83 -0.02 0.00 -0.75 0.00 0.00 64.21 58.62 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 1.59 -2.69 -3.65 -1.46 0.00 -1.26 -5.08 120.51 107.97 1vae n ALA 9 Ca -0.21 1.32 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1vae n ALA 9 Cb 0.32 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 16.82 1vae n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vae s SER 10 N -0.61 -0.24 -0.17 0.00 0.15 -1.26 -5.14 113.70 106.43 1vae s SER 10 Ca -0.12 0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.66 1vae s SER 10 Cb 0.01 1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 65.35 1vae s SER 10 CO 0.34 -0.06 0.80 -0.54 1.20 0.00 0.00 173.24 174.98 1vae s LYS 11 N 1.08 4.29 -0.01 5.44 1.02 -1.26 -5.03 119.74 125.27 1vae s LYS 11 Ca -0.07 0.96 -0.23 0.00 0.02 0.00 0.00 55.97 56.64 1vae s LYS 11 Cb -0.03 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1vae s LYS 11 CO -0.12 -0.31 0.69 0.50 -0.92 0.00 0.00 175.35 175.19 1vae s ARG 12 N 2.10 4.42 0.19 1.68 3.00 -1.21 -4.99 118.95 124.14 1vae s ARG 12 Ca 0.37 0.90 0.11 0.00 -1.00 0.00 0.00 55.73 56.10 1vae s ARG 12 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.36 1vae s ARG 12 CO 0.12 0.23 -0.19 -1.58 0.00 0.00 0.00 175.30 173.88 1vae s TRP 13 N 0.20 2.42 0.81 5.12 0.52 -1.26 -0.25 118.94 126.50 1vae s TRP 13 Ca 0.36 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 56.12 1vae s TRP 13 Cb -0.19 -1.20 0.17 0.00 -1.15 0.00 0.00 33.47 31.10 1vae s TRP 13 CO 0.19 0.50 1.11 0.45 0.02 0.00 0.00 176.95 179.22 1vae s SER 14 N -2.70 3.84 0.52 2.95 0.15 0.19 -4.92 113.70 113.72 1vae s SER 14 Ca 0.22 -0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.35 1vae s SER 14 Cb -0.08 0.13 -0.07 0.00 -1.71 0.00 0.00 66.02 64.29 1vae s SER 14 CO 0.12 -2.22 1.04 -2.16 1.20 0.00 0.00 173.24 171.21 1vae s PRO 15 N -5.38 3.68 -0.02 5.44 0.04 -1.26 -4.41 135.00 133.08 1vae s PRO 15 Ca 0.70 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 1vae s PRO 15 Cb -0.04 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1vae s PRO 15 CO 0.47 -0.52 1.20 -1.25 0.04 0.00 0.00 177.00 176.94 1vae s PRO 16 N -3.50 4.38 0.38 0.56 0.04 -1.26 -4.46 135.00 131.14 1vae s PRO 16 Ca 0.66 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1vae s PRO 16 Cb -0.16 -3.50 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 1vae s PRO 16 CO 0.25 -0.39 0.76 1.03 0.04 0.00 0.00 177.00 178.69 1vae s ARG 17 N 1.89 3.84 -0.40 4.56 0.52 0.38 -4.82 118.95 124.93 1vae s ARG 17 Ca 0.57 0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 56.18 1vae s ARG 17 Cb -0.26 -2.40 0.02 0.00 0.52 0.00 0.00 34.95 32.83 1vae s ARG 17 CO 0.24 0.01 0.27 0.20 0.02 0.00 0.00 175.30 176.04 1vae s GLY 18 N -2.91 1.98 0.11 -3.53 0.00 -1.26 -3.33 107.32 98.38 1vae s GLY 18 Ca 0.52 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1vae s GLY 18 CO 0.27 0.89 0.09 -0.42 0.00 0.00 0.00 173.10 173.93 1vae s ILE 19 N 1.64 4.44 -0.17 0.90 1.01 -0.80 -4.97 121.20 123.26 1vae s ILE 19 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 1vae s ILE 19 Cb -0.19 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.16 1vae s ILE 19 CO 0.09 0.04 0.10 -1.38 0.00 0.00 0.00 174.94 173.79 1vae s HIS 20 N -1.51 0.15 0.32 3.97 -3.43 -1.26 -3.29 115.29 110.25 1vae s HIS 20 Ca 0.29 -0.25 -0.15 0.00 -0.80 0.00 0.00 55.06 54.15 1vae s HIS 20 Cb -0.11 -0.66 0.03 0.00 -1.43 0.00 0.00 32.58 30.41 1vae s HIS 20 CO 0.22 -0.50 0.68 -0.59 -2.00 0.00 0.00 174.74 172.54 1vae s PHE 21 N 2.15 0.18 -0.32 0.38 -0.71 -1.24 -4.66 117.98 113.77 1vae s PHE 21 Ca 0.02 -0.68 -0.02 0.00 -1.04 0.00 0.00 56.93 55.22 1vae s PHE 21 Cb -0.16 0.57 0.06 0.00 -1.21 0.00 0.00 43.02 42.28 1vae s PHE 21 CO -0.09 -1.31 0.04 0.99 -1.34 0.00 0.00 175.22 173.51 1vae s THR 22 N -3.21 3.08 1.01 -4.49 2.01 -1.26 -2.24 115.64 110.53 1vae s THR 22 Ca 0.17 -1.49 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 1vae s THR 22 Cb -0.04 -2.84 -0.11 0.00 0.01 0.00 0.00 72.50 69.52 1vae s THR 22 CO 0.11 -0.22 -0.78 0.52 -0.69 0.00 0.00 174.62 173.56 1vae n VAL 23 N 4.62 0.00 -3.75 3.82 0.31 -1.25 -4.73 118.33 117.35 1vae n VAL 23 Ca -0.11 -0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 63.65 1vae n VAL 23 Cb 0.43 -0.15 -0.12 0.00 -0.91 0.00 0.00 33.84 33.09 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 -2.39 1.72 -0.66 5.55 2.02 -1.26 -2.62 118.70 121.06 1vae s GLU 24 Ca 0.43 -2.58 -0.05 0.00 0.02 0.00 0.00 54.97 52.79 1vae s GLU 24 Cb -0.09 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.40 1vae s GLU 24 CO 0.74 -1.24 2.01 -0.85 0.02 0.00 0.00 175.26 175.93 1vae n GLU 25 N 2.80 1.70 0.00 1.61 0.28 -1.26 -2.16 120.64 123.62 1vae n GLU 25 Ca 0.16 -1.19 0.00 0.00 -0.16 0.00 0.00 57.16 55.97 1vae n GLU 25 Cb 0.37 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.96 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 3.59 0.14 3.03 -1.84 0.00 -1.26 -5.01 105.19 103.83 1vae n GLY 26 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.01 -0.56 0.14 1.61 -1.08 -0.92 -5.15 116.67 109.70 1vae s ASP 27 Ca 0.00 0.28 -0.09 0.00 -0.52 0.00 0.00 52.55 52.21 1vae s ASP 27 Cb 0.00 1.60 -0.06 0.00 -1.46 0.00 0.00 42.92 42.99 1vae s ASP 27 CO 0.00 -0.30 0.46 -0.76 0.52 0.00 0.00 175.17 175.09 1vae s LEU 28 N 2.69 4.28 -0.33 -1.34 1.43 -1.26 -4.70 118.68 119.47 1vae s LEU 28 Ca 0.14 0.83 0.09 0.00 -1.03 0.00 0.00 54.13 54.15 1vae s LEU 28 Cb -0.14 -3.29 0.71 0.00 0.03 0.00 0.00 46.19 43.50 1vae s LEU 28 CO -0.22 0.07 1.78 0.61 0.23 0.00 0.00 176.35 178.81 1vae n GLY 29 N 0.43 3.63 3.59 -3.19 0.00 -1.26 -4.93 105.19 103.46 1vae n GLY 29 Ca -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.90 -0.24 0.40 1.61 -0.71 -1.26 -0.29 117.98 114.59 1vae s PHE 30 Ca 0.53 0.08 0.04 0.00 -1.04 0.00 0.00 56.93 56.53 1vae s PHE 30 Cb 0.43 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.77 1vae s PHE 30 CO 0.13 -0.54 0.11 -0.08 -1.34 0.00 0.00 175.22 173.50 1vae s THR 31 N -3.00 0.69 -0.23 -4.49 -1.32 -1.25 -4.95 115.64 101.09 1vae s THR 31 Ca 0.08 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.58 1vae s THR 31 Cb -0.01 -2.40 0.05 0.00 -1.51 0.00 0.00 72.50 68.63 1vae s THR 31 CO -0.05 0.00 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.46 1vae s LEU 32 N -3.60 2.91 0.22 9.08 1.43 -1.26 -2.78 118.68 124.68 1vae s LEU 32 Ca 0.25 -1.11 0.09 0.00 -1.03 0.00 0.00 54.13 52.33 1vae s LEU 32 Cb 0.03 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1vae s LEU 32 CO 0.14 -0.13 -0.04 -0.13 0.23 0.00 0.00 176.35 176.43 1vae s ARG 33 N 1.19 2.23 0.58 1.70 1.81 -1.26 -4.94 118.95 120.27 1vae s ARG 33 Ca -0.04 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 1vae s ARG 33 Cb -0.17 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 1vae s ARG 33 CO -0.08 0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.35 1vae n GLY 34 N -0.44 -1.81 0.08 -3.53 0.00 -1.26 -3.00 105.19 95.23 1vae n GLY 34 Ca -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1vae n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vae n ASN 35 N 0.26 0.00 -3.64 1.61 4.13 -1.26 -4.69 115.26 111.67 1vae n ASN 35 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 1vae n ASN 35 Cb 0.00 -0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 37.81 1vae n ASN 35 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1vae s THR 36 N -0.82 0.00 0.10 3.41 -1.32 -1.26 -4.02 115.64 111.73 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 -0.06 4.50 0.82 7.08 0.04 -1.26 -5.04 135.00 141.08 1vae s PRO 37 Ca 0.06 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1vae s PRO 37 Cb -0.04 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1vae s PRO 37 CO -0.12 -0.12 0.61 1.33 0.04 0.00 0.00 177.00 178.74 1vae n VAL 38 N 3.32 1.24 -3.61 -0.36 0.24 -1.26 -4.73 118.33 113.17 1vae n VAL 38 Ca 0.06 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.34 62.03 1vae n VAL 38 Cb 0.47 -0.79 -0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.53 1.43 -3.96 7.34 6.02 -1.16 -1.78 117.38 123.74 1vae n GLN 39 Ca 0.10 -0.48 -0.30 0.00 -0.01 0.00 0.00 57.00 56.30 1vae n GLN 39 Cb 0.51 0.06 -0.16 0.00 1.02 0.00 0.00 30.24 31.68 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 -0.46 1.53 -1.05 5.09 1.01 0.25 -4.22 120.40 122.54 1vae s VAL 40 Ca 0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1vae s VAL 40 Cb -0.00 -1.71 0.32 0.00 0.00 0.00 0.00 36.38 34.98 1vae s VAL 40 CO 0.02 0.04 1.67 1.57 0.00 0.00 0.00 175.10 178.41 1vae n HIS 41 N 4.70 2.52 -1.28 5.22 -0.00 -1.12 -2.84 115.22 122.43 1vae n HIS 41 Ca -0.13 -2.57 -0.50 0.00 0.46 0.00 0.00 57.72 54.98 1vae n HIS 41 Cb 0.45 -1.22 -0.07 0.00 -0.12 0.00 0.00 29.99 29.03 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 0.55 0.79 -0.05 1.57 3.72 -1.26 -3.92 117.46 118.86 1vae n PHE 42 Ca 0.38 0.88 -0.05 0.00 -0.05 0.00 0.00 57.45 58.61 1vae n PHE 42 Cb 0.29 -1.73 -0.07 0.00 -0.94 0.00 0.00 39.48 37.03 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 1.83 0.01 -3.94 4.37 4.77 0.60 -4.93 117.00 119.72 1vae n LEU 43 Ca 0.19 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1vae n LEU 43 Cb 0.03 0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1vae n LEU 43 CO 0.57 0.23 -0.44 -1.81 -1.33 0.00 0.00 177.39 174.61 1vae s ASP 44 N -4.12 3.27 0.00 -1.43 1.01 -0.78 -4.97 116.67 109.64 1vae s ASP 44 Ca -0.05 -0.86 0.21 0.00 0.71 0.00 0.00 52.55 52.57 1vae s ASP 44 Cb 0.03 -1.09 1.27 0.00 1.01 0.00 0.00 42.92 44.14 1vae s ASP 44 CO 0.37 -0.18 1.68 -0.81 0.21 0.00 0.00 175.17 176.44 1vae n PRO 45 N 4.76 0.75 -3.09 8.23 -0.04 -1.26 -3.46 135.00 140.89 1vae n PRO 45 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 1vae n PRO 45 Cb 0.46 -1.45 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.95 -0.54 -0.03 0.54 8.25 -1.26 -4.58 115.22 116.65 1vae n HIS 46 Ca 0.16 -3.42 -0.07 0.00 -0.26 0.00 0.00 57.72 54.13 1vae n HIS 46 Cb 0.07 0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.33 0.00 -0.34 0.00 7.64 -1.26 -4.96 113.62 111.36 1vae n SER 48 Ca -0.13 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.69 1vae n SER 48 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.17 -0.69 -0.43 0.00 -1.92 1.03 119.26 117.07 1vae h ALA 49 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1vae h ALA 49 Cb 0.00 1.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1vae h ALA 49 CO 0.00 -0.78 0.35 1.03 0.00 0.00 0.00 179.25 179.85 1vae h SER 50 N -0.07 0.47 0.52 0.00 0.87 -1.87 0.58 113.55 114.05 1vae h SER 50 Ca 0.25 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1vae h SER 50 Cb 0.54 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1vae h SER 50 CO -0.89 0.28 0.00 -0.07 -0.53 0.00 0.00 176.83 175.62 1vae h LEU 51 N 0.61 0.00 0.17 2.23 3.38 0.41 -2.77 115.31 119.34 1vae h LEU 51 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1vae h LEU 51 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vae h LEU 51 CO -0.24 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.20 1vae h ALA 52 N 2.10 -0.23 0.00 1.53 0.00 0.62 -3.48 119.26 119.80 1vae h ALA 52 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vae h ALA 52 Cb 0.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vae h ALA 52 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1vae n GLY 53 N 0.74 0.00 3.84 0.00 0.00 -0.83 -4.64 105.19 104.29 1vae n GLY 53 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 4.10 0.19 4.61 0.00 -1.23 -4.86 121.76 124.56 1vae s ALA 54 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.35 1vae s ALA 54 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1vae s ALA 54 CO 0.00 -0.29 0.33 0.15 0.00 0.00 0.00 175.76 175.94 1vae s LYS 55 N -4.11 1.25 0.30 0.00 1.02 -1.26 -4.81 119.74 112.13 1vae s LYS 55 Ca 0.35 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 1vae s LYS 55 Cb -0.00 0.40 -0.10 0.00 -0.52 0.00 0.00 37.83 37.61 1vae s LYS 55 CO 0.21 -0.48 1.18 -1.21 -0.92 0.00 0.00 175.35 174.14 1vae s GLU 56 N -3.99 4.52 0.00 1.68 2.02 -1.26 -3.00 118.70 118.67 1vae s GLU 56 Ca 0.20 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1vae s GLU 56 Cb 0.03 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1vae s GLU 56 CO 0.03 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1vae n GLY 57 N 1.05 0.66 3.71 -1.39 0.00 -1.13 -5.02 105.19 103.07 1vae n GLY 57 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.34 7.25 -0.29 1.61 1.01 -1.16 -4.71 116.67 118.03 1vae s ASP 58 Ca 0.00 1.77 -0.10 0.00 0.71 0.00 0.00 52.55 54.93 1vae s ASP 58 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1vae s ASP 58 CO 0.00 -0.37 0.16 -0.31 0.21 0.00 0.00 175.17 174.86 1vae s TYR 59 N 1.21 3.17 0.06 4.23 1.51 -1.21 -0.59 117.35 125.74 1vae s TYR 59 Ca 0.54 -0.33 -0.31 0.00 -1.01 0.00 0.00 57.07 55.97 1vae s TYR 59 Cb -0.24 -2.35 -0.07 0.00 -0.11 0.00 0.00 41.96 39.19 1vae s TYR 59 CO 0.27 -0.35 1.52 0.42 -1.11 0.00 0.00 175.55 176.30 1vae s ILE 60 N 1.66 3.26 -0.07 2.71 1.01 -0.73 -2.57 121.20 126.47 1vae s ILE 60 Ca 0.06 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.47 1vae s ILE 60 Cb -0.16 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1vae s ILE 60 CO 0.07 0.01 -0.05 1.33 0.00 0.00 0.00 174.94 176.30 1vae n VAL 61 N 4.52 0.44 -3.79 2.92 0.24 -0.92 -4.28 118.33 117.47 1vae n VAL 61 Ca 0.14 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1vae n VAL 61 Cb 0.42 -0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 31.95 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 -4.59 -0.10 -0.25 -1.34 0.01 -1.25 0.19 113.70 106.37 1vae s SER 62 Ca -0.09 -0.56 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1vae s SER 62 Cb 0.03 0.47 0.12 0.00 0.21 0.00 0.00 66.02 66.84 1vae s SER 62 CO 0.19 -0.89 0.29 -0.63 0.41 0.00 0.00 173.24 172.61 1vae s ILE 63 N -3.87 -0.43 0.00 1.44 1.01 -1.25 -2.16 121.20 115.94 1vae s ILE 63 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1vae s ILE 63 Cb 0.02 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1vae s ILE 63 CO -0.06 -0.28 0.00 1.67 0.00 0.00 0.00 174.94 176.27 1vae n GLN 64 N 5.33 0.00 0.00 2.79 0.00 -0.17 -2.51 117.38 122.82 1vae n GLN 64 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 1vae n GLN 64 Cb 0.49 -2.73 0.00 0.00 0.00 0.00 0.00 30.24 27.99 1vae n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vae n GLY 65 N -2.00 1.45 3.12 1.69 0.00 -1.26 -4.93 105.19 103.25 1vae n GLY 65 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1vae n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vae n VAL 66 N -0.36 0.00 -3.81 1.61 3.14 -1.04 -5.04 118.33 112.82 1vae n VAL 66 Ca 0.00 -0.96 -0.35 0.00 -2.96 0.00 0.00 64.34 60.07 1vae n VAL 66 Cb 0.00 -1.38 -0.11 0.00 -1.06 0.00 0.00 33.84 31.28 1vae n VAL 66 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1vae s ASP 67 N -4.69 5.01 -0.53 6.55 1.11 -1.26 -3.80 116.67 119.06 1vae s ASP 67 Ca 0.58 -2.61 0.02 0.00 0.18 0.00 0.00 52.55 50.72 1vae s ASP 67 Cb -0.02 -1.78 0.43 0.00 1.07 0.00 0.00 42.92 42.62 1vae s ASP 67 CO 0.40 -0.39 1.60 0.00 1.18 0.00 0.00 175.17 177.96 1vae n LYS 69 N -0.71 0.84 -0.06 0.00 4.81 -0.81 -3.44 118.16 118.79 1vae n LYS 69 Ca 0.51 -0.09 -0.07 0.00 -0.87 0.00 0.00 58.31 57.78 1vae n LYS 69 Cb 0.69 -1.45 -0.06 0.00 0.02 0.00 0.00 35.03 34.23 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 -2.39 0.00 -1.16 5.64 7.02 -1.26 -4.12 117.44 121.16 1vae n TRP 70 Ca -0.16 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 55.95 1vae n TRP 70 Cb 0.77 -0.48 0.03 0.00 -2.42 0.00 0.00 31.31 29.21 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 -2.69 -3.77 0.00 -0.99 4.77 -1.26 -4.83 117.00 108.24 1vae n LEU 71 Ca -0.20 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1vae n LEU 71 Cb 0.76 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1vae n LEU 71 CO 0.15 -4.96 0.00 0.35 -1.33 0.00 0.00 177.39 171.61 1vae n THR 72 N -2.00 0.00 -0.08 -5.08 -2.24 -1.26 -4.62 114.28 99.01 1vae n THR 72 Ca 0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1vae n THR 72 Cb 0.51 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.29 -0.63 2.28 2.07 -1.84 -3.10 116.25 116.32 1vae h VAL 73 Ca 0.00 -2.08 0.08 0.00 0.82 0.00 0.00 66.70 65.52 1vae h VAL 73 Cb 0.00 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1vae h VAL 73 CO 0.00 0.44 0.29 -1.28 0.02 0.00 0.00 177.57 177.03 1vae h SER 74 N -1.00 0.36 0.00 0.57 0.87 -1.95 -0.07 113.55 112.33 1vae h SER 74 Ca -0.08 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1vae h SER 74 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1vae h SER 74 CO -0.05 0.22 0.00 -0.62 -0.53 0.00 0.00 176.83 175.85 1vae n GLU 75 N -4.91 0.00 -0.37 2.24 4.71 -1.26 -1.59 120.64 119.46 1vae n GLU 75 Ca 0.09 0.52 -0.10 0.00 -0.01 0.00 0.00 57.16 57.65 1vae n GLU 75 Cb 0.24 -1.41 -0.08 0.00 -1.01 0.00 0.00 31.44 29.18 1vae n GLU 75 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1vae h VAL 76 N 0.00 0.00 -0.89 2.62 2.07 -1.45 0.47 116.25 119.08 1vae h VAL 76 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1vae h VAL 76 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.62 1vae h VAL 76 CO 0.00 0.00 -0.27 0.23 0.02 0.00 0.00 177.57 177.55 1vae n MET 77 N -5.30 -0.13 -0.16 1.57 2.81 -0.05 0.19 117.12 116.04 1vae n MET 77 Ca 0.02 1.38 -0.11 0.00 -1.81 0.00 0.00 57.70 57.18 1vae n MET 77 Cb 0.29 -2.05 -0.00 0.00 -0.71 0.00 0.00 33.22 30.75 1vae n MET 77 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1vae h LYS 78 N 0.00 0.93 -0.19 0.03 1.57 0.73 0.61 116.57 120.25 1vae h LYS 78 Ca 0.38 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1vae h LYS 78 Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1vae h LYS 78 CO -0.90 1.01 0.13 1.25 -0.57 0.00 0.00 179.45 180.38 1vae h LEU 79 N 0.78 0.11 0.08 2.94 6.46 0.60 0.40 115.31 126.68 1vae h LEU 79 Ca 0.12 -0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.68 1vae h LEU 79 Cb 0.67 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1vae h LEU 79 CO 0.05 0.08 -1.03 -0.07 -0.62 0.00 0.00 178.44 176.84 1vae h LEU 80 N 0.13 0.25 -0.23 2.25 3.38 0.15 -3.28 115.31 117.96 1vae h LEU 80 Ca 0.08 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 57.27 1vae h LEU 80 Cb 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1vae h LEU 80 CO -0.01 1.45 -0.12 0.11 0.09 0.00 0.00 178.44 179.96 1vae h LYS 81 N -0.57 -0.09 -0.87 1.13 1.57 0.80 -0.51 116.57 118.03 1vae h LYS 81 Ca -0.23 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.77 1vae h LYS 81 Cb 1.52 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.72 1vae h LYS 81 CO 0.01 -0.06 0.34 1.03 -0.57 0.00 0.00 179.45 180.20 1vae h SER 82 N -0.09 0.24 -0.60 0.86 0.87 -0.37 0.38 113.55 114.83 1vae h SER 82 Ca 0.13 0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 60.48 1vae h SER 82 Cb 0.28 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.25 1vae h SER 82 CO -0.29 -0.03 0.40 0.49 -0.53 0.00 0.00 176.83 176.87 1vae n PHE 83 N -5.09 1.55 -2.51 2.24 3.72 -0.21 -4.94 117.46 112.22 1vae n PHE 83 Ca 0.21 -1.97 -0.41 0.00 -0.05 0.00 0.00 57.45 55.22 1vae n PHE 83 Cb 0.63 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.07 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 2.75 -1.80 1.37 0.00 0.13 -2.94 107.32 107.05 1vae s GLY 84 Ca 0.38 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1vae s GLY 84 CO -0.05 1.74 0.00 0.61 0.00 0.00 0.00 173.10 175.40 1vae n GLY 85 N 2.38 0.93 3.00 0.20 0.00 -1.08 -4.86 105.19 105.76 1vae n GLY 85 Ca 0.04 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.10 1.80 -0.27 1.61 2.02 -1.15 -4.92 118.70 113.69 1vae s GLU 86 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 1vae s GLU 86 Cb 0.00 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.60 1vae s GLU 86 CO 0.00 -0.08 1.98 -2.00 0.02 0.00 0.00 175.26 175.18 1vae s GLU 87 N 1.04 3.26 0.49 1.61 2.12 -1.26 -3.81 118.70 122.16 1vae s GLU 87 Ca -0.07 1.71 0.04 0.00 0.36 0.00 0.00 54.97 57.02 1vae s GLU 87 Cb -0.15 -4.27 -0.02 0.00 0.26 0.00 0.00 34.13 29.96 1vae s GLU 87 CO -0.01 -1.94 0.14 0.14 -0.54 0.00 0.00 175.26 173.04 1vae s VAL 88 N 7.45 1.62 -0.34 3.70 -7.23 -0.95 -4.98 120.40 119.67 1vae s VAL 88 Ca 0.89 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1vae s VAL 88 Cb -0.27 -2.43 0.10 0.00 0.56 0.00 0.00 36.38 34.33 1vae s VAL 88 CO 0.34 0.00 0.06 -0.70 -0.31 0.00 0.00 175.10 174.50 1vae s GLU 89 N -3.96 1.40 -0.01 4.82 2.12 -1.26 -3.59 118.70 118.22 1vae s GLU 89 Ca 0.24 -1.80 -0.17 0.00 0.36 0.00 0.00 54.97 53.60 1vae s GLU 89 Cb 0.02 -3.06 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 1vae s GLU 89 CO 0.13 -0.95 0.46 1.41 -0.54 0.00 0.00 175.26 175.77 1vae s MET 90 N 0.95 4.08 -0.07 4.30 -2.45 -1.21 -1.00 119.30 123.91 1vae s MET 90 Ca 0.11 0.50 0.03 0.00 -1.25 0.00 0.00 55.69 55.08 1vae s MET 90 Cb -0.19 -3.27 -0.02 0.00 1.25 0.00 0.00 34.83 32.59 1vae s MET 90 CO -0.10 0.56 -0.15 0.15 1.05 0.00 0.00 175.02 176.53 1vae s LYS 91 N -0.70 2.68 0.05 4.11 1.02 -0.92 -1.90 119.74 124.08 1vae s LYS 91 Ca 0.25 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1vae s LYS 91 Cb -0.17 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1vae s LYS 91 CO 0.14 0.52 -0.10 0.14 -0.92 0.00 0.00 175.35 175.13 1vae s VAL 92 N -0.47 0.78 -0.01 3.17 -7.23 -1.21 -2.16 120.40 113.27 1vae s VAL 92 Ca 0.06 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 1vae s VAL 92 Cb -0.12 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1vae s VAL 92 CO 0.02 -0.27 -0.15 0.68 -0.31 0.00 0.00 175.10 175.07 1vae s VAL 93 N -1.24 1.18 0.23 1.32 -7.23 -1.06 -0.47 120.40 113.14 1vae s VAL 93 Ca -0.06 -0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 59.25 1vae s VAL 93 Cb -0.09 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 35.77 1vae s VAL 93 CO 0.01 0.30 0.71 -0.44 -0.31 0.00 0.00 175.10 175.38 1vae s SER 94 N -0.44 7.00 -0.17 4.85 0.01 -1.26 -3.33 113.70 120.35 1vae s SER 94 Ca 0.05 1.37 -0.13 0.00 1.31 0.00 0.00 55.95 58.56 1vae s SER 94 Cb -0.06 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1vae s SER 94 CO -0.00 -0.00 0.25 -0.22 0.41 0.00 0.00 173.24 173.67 1vae s LEU 95 N -2.13 4.23 -0.15 2.44 2.96 -1.26 0.53 118.68 125.29 1vae s LEU 95 Ca 0.44 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 1vae s LEU 95 Cb -0.16 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1vae s LEU 95 CO 0.20 0.12 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.49 1vae s LEU 96 N 0.47 2.80 0.03 -0.68 2.01 0.66 -4.97 118.68 119.00 1vae s LEU 96 Ca 0.14 -0.32 -0.09 0.00 0.01 0.00 0.00 54.13 53.87 1vae s LEU 96 Cb -0.12 -1.66 0.00 0.00 0.01 0.00 0.00 46.19 44.42 1vae s LEU 96 CO 0.02 0.12 0.18 -0.62 1.01 0.00 0.00 176.35 177.06 1vae s ASP 97 N 0.62 0.03 1.17 2.29 -1.08 -1.26 -3.31 116.67 115.13 1vae s ASP 97 Ca -0.06 -0.32 -0.19 0.00 -0.52 0.00 0.00 52.55 51.46 1vae s ASP 97 Cb -0.15 0.26 0.28 0.00 -1.46 0.00 0.00 42.92 41.85 1vae s ASP 97 CO 0.03 -0.50 1.14 -0.94 0.52 0.00 0.00 175.17 175.42 1vae s SER 98 N -1.88 1.19 -0.21 -0.34 1.04 -1.26 -5.08 113.70 107.16 1vae s SER 98 Ca -0.08 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.85 1vae s SER 98 Cb -0.03 -0.74 0.10 0.00 0.10 0.00 0.00 66.02 65.46 1vae s SER 98 CO -0.02 -3.95 0.40 -0.89 0.98 0.00 0.00 173.24 169.76 1vae s THR 99 N -3.15 -0.62 0.38 2.02 2.01 -1.26 -5.16 115.64 109.86 1vae s THR 99 Ca 0.72 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.89 1vae s THR 99 Cb -0.08 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1vae s THR 99 CO 0.55 0.01 0.43 -0.55 -0.69 0.00 0.00 174.62 174.38 1vae s SER 100 N 2.58 5.48 0.24 3.53 0.15 -1.26 -5.13 113.70 119.29 1vae s SER 100 Ca 0.03 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 1vae s SER 100 Cb -0.13 -0.83 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1vae s SER 100 CO -0.13 -0.57 0.55 -0.55 1.20 0.00 0.00 173.24 173.73 1vae s SER 101 N -4.17 -0.18 -0.06 5.45 0.15 -1.26 -5.17 113.70 108.45 1vae s SER 101 Ca 0.48 -0.71 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 1vae s SER 101 Cb -0.07 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1vae s SER 101 CO 0.30 -1.16 0.14 -0.04 1.20 0.00 0.00 173.24 173.68 1vae s MET 102 N -3.95 0.11 0.35 5.44 -1.94 -1.26 -5.16 119.30 112.90 1vae s MET 102 Ca 0.15 0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.44 1vae s MET 102 Cb -0.02 -0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 1vae s MET 102 CO 0.04 -0.12 0.56 -3.38 -0.01 0.00 0.00 175.02 172.12 1vae s HIS 103 N 0.80 3.50 0.01 -0.03 -3.43 -1.26 -5.11 115.29 109.77 1vae s HIS 103 Ca -0.06 0.42 0.04 0.00 -0.80 0.00 0.00 55.06 54.66 1vae s HIS 103 Cb -0.08 -1.95 -0.01 0.00 -1.43 0.00 0.00 32.58 29.11 1vae s HIS 103 CO -0.04 0.10 -0.13 1.21 -2.00 0.00 0.00 174.74 173.88 1vae s ASN 104 N -3.91 1.56 0.40 7.38 2.47 -1.26 -5.12 114.94 116.46 1vae s ASN 104 Ca 0.41 -0.31 -0.26 0.00 0.42 0.00 0.00 52.86 53.12 1vae s ASN 104 Cb -0.10 -0.15 -0.10 0.00 -1.45 0.00 0.00 41.25 39.45 1vae s ASN 104 CO 0.36 0.11 1.24 1.17 -3.72 0.00 0.00 177.10 176.27 1vae n LYS 105 N 2.45 1.90 -4.32 0.43 4.81 -1.26 -5.00 118.16 117.17 1vae n LYS 105 Ca -0.15 0.67 -0.24 0.00 -0.87 0.00 0.00 58.31 57.72 1vae n LYS 105 Cb 0.55 -2.33 -0.08 0.00 0.02 0.00 0.00 35.03 33.19 1vae n LYS 105 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1vae s SER 106 N -0.51 4.23 -0.13 3.14 0.01 -1.26 -5.13 113.70 114.05 1vae s SER 106 Ca 0.60 -0.92 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1vae s SER 106 Cb -0.53 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 1vae s SER 106 CO 0.59 -0.18 0.08 -0.83 0.41 0.00 0.00 173.24 173.31 1vae s GLY 107 N -3.70 2.00 0.87 3.44 0.00 -1.26 -5.11 107.32 103.56 1vae s GLY 107 Ca 0.34 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 44.20 1vae s GLY 107 CO 0.19 -0.28 0.96 -1.55 0.00 0.00 0.00 173.10 172.42 1vae n PRO 108 N 2.54 -1.84 -4.33 2.90 -0.04 -1.26 -5.10 135.00 127.88 1vae n PRO 108 Ca -0.18 -1.50 -0.17 0.00 -0.04 0.00 0.00 63.50 61.61 1vae n PRO 108 Cb 0.54 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.71 1vae n PRO 108 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1vae s SER 109 N -4.34 1.63 0.11 3.54 0.01 -1.26 -5.17 113.70 108.22 1vae s SER 109 Ca 0.58 -1.28 0.06 0.00 1.31 0.00 0.00 55.95 56.62 1vae s SER 109 Cb -0.03 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1vae s SER 109 CO 0.42 -0.59 -0.16 -0.94 0.41 0.00 0.00 173.24 172.38 1vae s SER 110 N -3.31 2.08 0.00 2.44 1.04 -1.26 -5.36 113.70 109.33 1vae s SER 110 Ca 0.31 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1vae s SER 110 Cb 0.07 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1vae s SER 110 CO 0.10 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.85