#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 -8.52 -3.60 1.61 7.64 -1.26 -5.09 113.62 104.40 1vae n SER 2 Ca 0.00 1.19 -0.03 0.00 1.01 0.00 0.00 58.87 61.04 1vae n SER 2 Cb 0.00 -4.40 -0.02 0.00 -1.01 0.00 0.00 64.21 58.78 1vae n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vae s SER 3 N -2.28 -0.15 0.00 6.43 0.01 -1.26 -5.13 113.70 111.32 1vae s SER 3 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1vae s SER 3 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1vae s SER 3 CO 0.00 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1vae n GLY 4 N -0.25 -1.16 3.54 3.44 0.00 -1.26 -5.17 105.19 104.33 1vae n GLY 4 Ca -0.04 0.71 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.86 -0.33 1.61 0.01 -1.26 -5.12 113.70 107.75 1vae s SER 5 Ca 0.00 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.67 1vae s SER 5 Cb 0.00 1.72 0.19 0.00 0.21 0.00 0.00 66.02 68.14 1vae s SER 5 CO 0.00 -0.22 0.70 -0.55 0.41 0.00 0.00 173.24 173.57 1vae s SER 6 N 2.34 -1.34 -0.14 2.44 0.15 -1.26 -5.12 113.70 110.77 1vae s SER 6 Ca -0.07 -0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.17 1vae s SER 6 Cb -0.10 1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 65.94 1vae s SER 6 CO -0.17 -0.21 2.15 0.61 1.20 0.00 0.00 173.24 176.81 1vae n GLY 7 N 4.97 1.27 3.27 9.45 0.00 -1.26 -4.96 105.19 117.94 1vae n GLY 7 Ca 0.07 0.80 -0.25 0.00 0.00 0.00 0.00 46.02 46.64 1vae n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vae s SER 8 N 7.10 2.56 -0.42 1.61 0.15 -1.26 -5.07 113.70 118.37 1vae s SER 8 Ca 0.97 -0.61 0.10 0.00 0.70 0.00 0.00 55.95 57.12 1vae s SER 8 Cb -0.38 -0.18 0.33 0.00 -1.71 0.00 0.00 66.02 64.08 1vae s SER 8 CO 0.38 0.12 0.73 0.00 1.20 0.00 0.00 173.24 175.67 1vae n ALA 9 N 1.47 2.65 -2.50 5.45 0.00 -1.26 -5.10 120.51 121.23 1vae n ALA 9 Ca -0.18 -3.70 -0.28 0.00 0.00 0.00 0.00 53.44 49.28 1vae n ALA 9 Cb 0.53 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.40 4.46 0.66 0.00 1.04 -1.26 -5.14 113.70 111.06 1vae s SER 10 Ca 0.41 -1.31 -0.06 0.00 0.48 0.00 0.00 55.95 55.46 1vae s SER 10 Cb 0.30 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1vae s SER 10 CO -0.09 -0.92 0.96 -1.59 0.98 0.00 0.00 173.24 172.58 1vae s LYS 11 N -4.09 2.48 0.00 4.02 -2.85 -1.26 -5.06 119.74 112.97 1vae s LYS 11 Ca 0.28 -0.19 0.06 0.00 -1.00 0.00 0.00 55.97 55.11 1vae s LYS 11 Cb 0.00 -2.22 -0.02 0.00 -2.06 0.00 0.00 37.83 33.53 1vae s LYS 11 CO 0.17 -1.02 -0.17 0.50 0.10 0.00 0.00 175.35 174.93 1vae s ARG 12 N -5.13 1.31 0.12 1.78 6.06 -1.05 -5.05 118.95 116.99 1vae s ARG 12 Ca 0.58 -0.68 0.10 0.00 -2.50 0.00 0.00 55.73 53.22 1vae s ARG 12 Cb -0.11 -1.30 -0.04 0.00 0.06 0.00 0.00 34.95 33.56 1vae s ARG 12 CO 0.45 0.35 -0.24 -1.58 -2.50 0.00 0.00 175.30 171.77 1vae s TRP 13 N -0.53 2.08 0.91 5.12 0.52 -1.26 -0.56 118.94 125.22 1vae s TRP 13 Ca 0.06 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.66 1vae s TRP 13 Cb -0.07 -1.13 0.19 0.00 -1.15 0.00 0.00 33.47 31.30 1vae s TRP 13 CO 0.00 0.28 1.24 0.45 0.02 0.00 0.00 176.95 178.95 1vae s SER 14 N -2.00 3.37 0.44 2.95 0.15 -0.53 -4.94 113.70 113.13 1vae s SER 14 Ca 0.11 0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 1vae s SER 14 Cb -0.10 -0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 63.96 1vae s SER 14 CO 0.05 -2.55 1.05 -2.16 1.20 0.00 0.00 173.24 170.83 1vae s PRO 15 N -5.71 3.99 0.12 5.44 0.04 -1.26 -4.44 135.00 133.19 1vae s PRO 15 Ca 0.73 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1vae s PRO 15 Cb -0.04 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1vae s PRO 15 CO 0.51 -0.28 1.14 -1.25 0.04 0.00 0.00 177.00 177.16 1vae s PRO 16 N -2.83 4.52 0.15 0.56 0.04 -1.26 -4.62 135.00 131.57 1vae s PRO 16 Ca 0.62 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 63.36 1vae s PRO 16 Cb -0.20 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1vae s PRO 16 CO 0.24 -0.08 0.38 -0.98 0.04 0.00 0.00 177.00 176.61 1vae s ARG 17 N 0.28 3.60 -0.44 4.56 1.70 -0.52 -4.88 118.95 123.25 1vae s ARG 17 Ca 0.53 -0.13 -0.18 0.00 -0.47 0.00 0.00 55.73 55.49 1vae s ARG 17 Cb -0.29 -2.84 0.03 0.00 -0.57 0.00 0.00 34.95 31.27 1vae s ARG 17 CO 0.32 0.45 0.49 0.20 -1.08 0.00 0.00 175.30 175.69 1vae s GLY 18 N -2.55 1.86 0.10 3.88 0.00 -1.26 -3.40 107.32 105.94 1vae s GLY 18 Ca 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1vae s GLY 18 CO 0.25 1.25 0.25 -0.42 0.00 0.00 0.00 173.10 174.43 1vae s ILE 19 N 2.26 5.35 -0.17 0.90 1.01 -0.57 -5.00 121.20 124.99 1vae s ILE 19 Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1vae s ILE 19 Cb -0.17 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1vae s ILE 19 CO 0.14 0.06 0.08 -1.38 0.00 0.00 0.00 174.94 173.83 1vae s HIS 20 N -1.60 0.36 0.31 3.97 -3.43 -1.26 -3.19 115.29 110.44 1vae s HIS 20 Ca 0.36 -0.39 -0.16 0.00 -0.80 0.00 0.00 55.06 54.06 1vae s HIS 20 Cb -0.12 -0.75 0.02 0.00 -1.43 0.00 0.00 32.58 30.30 1vae s HIS 20 CO 0.28 -0.51 0.66 -0.59 -2.00 0.00 0.00 174.74 172.58 1vae s PHE 21 N 2.08 0.14 -0.34 0.38 -0.71 -1.24 -4.72 117.98 113.57 1vae s PHE 21 Ca 0.02 -0.62 -0.03 0.00 -1.04 0.00 0.00 56.93 55.26 1vae s PHE 21 Cb -0.16 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.27 1vae s PHE 21 CO -0.08 -1.27 0.08 0.99 -1.34 0.00 0.00 175.22 173.60 1vae s THR 22 N -3.42 3.24 0.81 -4.49 2.01 -1.26 -2.39 115.64 110.14 1vae s THR 22 Ca 0.17 -1.54 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 1vae s THR 22 Cb -0.04 -2.97 -0.13 0.00 0.01 0.00 0.00 72.50 69.37 1vae s THR 22 CO 0.10 -0.30 -0.43 0.52 -0.69 0.00 0.00 174.62 173.82 1vae n VAL 23 N 4.65 0.13 -3.94 3.82 0.31 -1.25 -4.76 118.33 117.30 1vae n VAL 23 Ca -0.10 -0.48 -0.32 0.00 -0.01 0.00 0.00 64.34 63.43 1vae n VAL 23 Cb 0.43 -0.08 -0.14 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.79 1.70 -0.56 5.55 0.41 -1.26 -2.46 118.70 120.29 1vae s GLU 24 Ca 0.48 -1.96 -0.06 0.00 -0.41 0.00 0.00 54.97 53.02 1vae s GLU 24 Cb -0.30 -3.34 -0.16 0.00 -1.78 0.00 0.00 34.13 28.55 1vae s GLU 24 CO 0.75 -1.00 2.88 -0.85 -0.49 0.00 0.00 175.26 176.54 1vae n GLU 25 N 4.19 2.22 0.00 1.61 0.28 -1.26 -2.80 120.64 124.89 1vae n GLU 25 Ca 0.03 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.76 1vae n GLU 25 Cb 0.41 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.06 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 3.04 0.04 2.57 -1.84 0.00 -1.26 -5.03 105.19 102.70 1vae n GLY 26 Ca 0.48 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 1vae n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vae s ASP 27 N -0.80 0.08 0.26 1.61 1.01 -1.12 -4.99 116.67 112.72 1vae s ASP 27 Ca 0.00 -2.41 -0.02 0.00 0.71 0.00 0.00 52.55 50.83 1vae s ASP 27 Cb 0.00 0.67 0.47 0.00 1.01 0.00 0.00 42.92 45.06 1vae s ASP 27 CO 0.00 -0.12 1.80 -0.07 0.21 0.00 0.00 175.17 176.99 1vae h LEU 28 N 5.40 0.67 0.00 1.23 3.38 -1.96 -3.43 115.31 120.60 1vae h LEU 28 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vae h LEU 28 Cb 1.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1vae h LEU 28 CO 0.20 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.69 1vae n GLY 29 N -1.33 0.74 3.81 0.83 0.00 -1.26 -4.18 105.19 103.82 1vae n GLY 29 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.56 0.01 0.40 1.61 -0.71 -1.26 -0.92 117.98 114.54 1vae s PHE 30 Ca 0.00 -0.55 0.05 0.00 -1.04 0.00 0.00 56.93 55.38 1vae s PHE 30 Cb 0.00 0.72 -0.02 0.00 -1.21 0.00 0.00 43.02 42.51 1vae s PHE 30 CO 0.00 -1.38 0.17 -0.08 -1.34 0.00 0.00 175.22 172.59 1vae s THR 31 N -3.18 0.43 -0.22 -4.49 -1.32 0.03 -4.90 115.64 102.00 1vae s THR 31 Ca 0.14 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.63 1vae s THR 31 Cb -0.05 -2.36 0.05 0.00 -1.51 0.00 0.00 72.50 68.63 1vae s THR 31 CO 0.09 0.00 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.66 1vae s LEU 32 N -3.56 2.49 0.36 9.08 1.43 -1.26 -2.31 118.68 124.91 1vae s LEU 32 Ca 0.27 -1.05 0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1vae s LEU 32 Cb 0.02 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1vae s LEU 32 CO 0.17 -0.19 0.17 -0.13 0.23 0.00 0.00 176.35 176.61 1vae s ARG 33 N 1.37 2.35 0.23 1.70 1.81 -1.26 -4.91 118.95 120.24 1vae s ARG 33 Ca -0.04 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 52.36 1vae s ARG 33 Cb -0.18 -2.15 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1vae s ARG 33 CO -0.07 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 1vae n GLY 34 N -1.20 -2.42 0.00 -3.53 0.00 -1.26 -1.92 105.19 94.86 1vae n GLY 34 Ca -0.02 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1vae n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vae n ASN 35 N -0.41 0.00 -3.64 1.61 5.15 -1.26 -4.59 115.26 112.11 1vae n ASN 35 Ca 0.00 0.14 -0.05 0.00 -0.60 0.00 0.00 54.58 54.07 1vae n ASN 35 Cb 0.00 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 38.73 1vae n ASN 35 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vae s THR 36 N -0.89 0.00 0.10 -0.44 -1.32 -1.26 -3.92 115.64 107.91 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 0.29 4.50 0.77 7.08 0.04 -1.26 -5.02 135.00 141.39 1vae s PRO 37 Ca 0.03 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 1vae s PRO 37 Cb -0.05 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1vae s PRO 37 CO -0.11 -0.13 0.48 1.33 0.04 0.00 0.00 177.00 178.60 1vae n VAL 38 N 3.37 1.41 -3.14 -0.36 0.24 -1.25 -4.72 118.33 113.88 1vae n VAL 38 Ca 0.06 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.34 61.82 1vae n VAL 38 Cb 0.47 -0.70 0.05 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.82 0.66 -3.96 7.34 6.02 -0.81 -2.40 117.38 123.41 1vae n GLN 39 Ca 0.09 -2.86 -0.31 0.00 -0.01 0.00 0.00 57.00 53.92 1vae n GLN 39 Cb 0.51 -0.15 -0.15 0.00 1.02 0.00 0.00 30.24 31.47 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 -2.28 2.01 -0.52 5.09 1.01 0.50 -4.10 120.40 122.11 1vae s VAL 40 Ca 0.52 -2.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.12 1vae s VAL 40 Cb -0.04 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1vae s VAL 40 CO 0.33 -0.62 0.60 -2.28 0.00 0.00 0.00 175.10 173.13 1vae s HIS 41 N 1.01 3.07 -0.47 5.22 2.46 -0.98 -3.35 115.29 122.25 1vae s HIS 41 Ca 0.11 -0.67 -0.29 0.00 0.47 0.00 0.00 55.06 54.68 1vae s HIS 41 Cb -0.19 -3.56 0.03 0.00 -0.13 0.00 0.00 32.58 28.73 1vae s HIS 41 CO -0.11 -1.04 1.11 -0.06 -2.47 0.00 0.00 174.74 172.17 1vae s PHE 42 N 2.48 2.83 0.00 3.88 0.08 -1.26 -0.79 117.98 125.20 1vae s PHE 42 Ca 0.13 0.69 0.01 0.00 0.12 0.00 0.00 56.93 57.87 1vae s PHE 42 Cb -0.21 -4.37 -0.26 0.00 -0.57 0.00 0.00 43.02 37.61 1vae s PHE 42 CO 0.10 -1.24 0.84 -0.07 -0.10 0.00 0.00 175.22 174.75 1vae h LEU 43 N 11.12 0.28 -8.52 -0.37 -0.00 -1.38 -3.46 115.31 112.99 1vae h LEU 43 Ca -0.23 -0.41 -0.69 0.00 -0.00 0.00 0.00 57.88 56.55 1vae h LEU 43 Cb 1.06 -0.09 -0.31 0.00 -0.00 0.00 0.00 40.66 41.32 1vae h LEU 43 CO 1.11 1.35 -0.88 -1.81 -0.00 0.00 0.00 178.44 178.21 1vae s ASP 44 N -6.80 3.09 0.20 -0.43 1.11 -0.46 -5.02 116.67 108.36 1vae s ASP 44 Ca -0.08 -0.49 0.05 0.00 0.18 0.00 0.00 52.55 52.21 1vae s ASP 44 Cb 0.07 -0.74 0.10 0.00 1.07 0.00 0.00 42.92 43.42 1vae s ASP 44 CO 0.84 0.26 1.45 1.55 1.18 0.00 0.00 175.17 180.45 1vae h PRO 45 N 5.93 0.13 -0.98 8.23 0.13 -1.88 -3.02 132.00 140.53 1vae h PRO 45 Ca -0.34 -0.12 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 1vae h PRO 45 Cb 1.16 0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 1vae h PRO 45 CO 0.47 0.85 0.47 0.72 -0.23 0.00 0.00 178.00 180.28 1vae n HIS 46 N -3.69 2.30 0.00 1.56 8.25 -1.26 -4.58 115.22 117.81 1vae n HIS 46 Ca -0.02 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1vae n HIS 46 Cb 0.75 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 0.14 0.00 7.64 -1.26 -4.78 113.62 115.35 1vae n SER 48 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1vae n SER 48 Cb 0.00 0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.27 -0.82 -0.43 0.00 -1.94 0.43 119.26 116.22 1vae h ALA 49 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1vae h ALA 49 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1vae h ALA 49 CO 0.00 -0.63 0.53 1.03 0.00 0.00 0.00 179.25 180.18 1vae h SER 50 N -0.32 0.63 -0.19 0.00 0.87 -1.89 -0.56 113.55 112.09 1vae h SER 50 Ca -0.03 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1vae h SER 50 Cb 0.25 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1vae h SER 50 CO 0.05 0.35 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.38 1vae h LEU 51 N 0.68 0.54 -0.19 2.23 3.38 -1.64 -3.29 115.31 117.01 1vae h LEU 51 Ca 0.39 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1vae h LEU 51 Cb 0.57 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1vae h LEU 51 CO -0.16 0.95 -0.23 0.00 0.09 0.00 0.00 178.44 179.09 1vae h ALA 52 N 0.61 -0.46 0.00 1.53 0.00 0.14 -3.44 119.26 117.64 1vae h ALA 52 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vae h ALA 52 Cb 0.82 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1vae h ALA 52 CO 0.06 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.14 1vae n GLY 53 N -1.15 0.00 3.66 0.00 0.00 -0.93 -4.83 105.19 101.94 1vae n GLY 53 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 3.42 0.34 4.61 0.00 -1.16 -4.95 121.76 124.03 1vae s ALA 54 Ca 0.00 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1vae s ALA 54 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1vae s ALA 54 CO 0.00 -0.09 0.24 1.63 0.00 0.00 0.00 175.76 177.54 1vae n LYS 55 N -1.05 0.45 -2.13 0.00 5.02 -1.26 -4.59 118.16 114.60 1vae n LYS 55 Ca -0.09 -3.30 -0.32 0.00 -2.02 0.00 0.00 58.31 52.59 1vae n LYS 55 Cb 0.67 2.46 -0.01 0.00 -0.02 0.00 0.00 35.03 38.13 1vae n LYS 55 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vae s GLU 56 N -3.38 3.71 -0.98 1.97 8.01 -1.26 -3.70 118.70 123.07 1vae s GLU 56 Ca 0.34 0.90 0.00 0.00 0.01 0.00 0.00 54.97 56.22 1vae s GLU 56 Cb 0.02 -2.10 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 1vae s GLU 56 CO 0.24 -0.47 0.00 0.41 0.01 0.00 0.00 175.26 175.45 1vae n GLY 57 N -1.98 1.08 3.77 -1.39 0.00 -1.21 -4.99 105.19 100.47 1vae n GLY 57 Ca 0.07 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.90 7.23 -0.22 1.61 1.11 -1.24 -4.75 116.67 117.50 1vae s ASP 58 Ca 0.00 1.46 -0.06 0.00 0.18 0.00 0.00 52.55 54.13 1vae s ASP 58 Cb 0.00 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.52 1vae s ASP 58 CO 0.00 0.13 0.02 -0.31 1.18 0.00 0.00 175.17 176.19 1vae s TYR 59 N -0.58 3.04 0.08 4.23 1.51 -1.18 -0.37 117.35 124.08 1vae s TYR 59 Ca 0.35 -0.54 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 1vae s TYR 59 Cb -0.21 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.43 1vae s TYR 59 CO 0.23 -0.35 1.27 0.42 -1.11 0.00 0.00 175.55 176.01 1vae s ILE 60 N 1.34 3.77 -0.12 2.71 1.09 -1.01 -2.23 121.20 126.75 1vae s ILE 60 Ca 0.04 1.27 0.03 0.00 -1.10 0.00 0.00 60.65 60.90 1vae s ILE 60 Cb -0.15 -3.81 -0.09 0.00 -1.06 0.00 0.00 42.46 37.35 1vae s ILE 60 CO 0.01 0.10 -0.06 1.33 -0.10 0.00 0.00 174.94 176.22 1vae n VAL 61 N 3.91 0.70 -3.67 2.92 0.24 -0.44 -4.18 118.33 117.80 1vae n VAL 61 Ca 0.10 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 1vae n VAL 61 Cb 0.45 -0.88 -0.06 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 -4.88 -0.22 -0.31 -1.34 0.01 -1.24 0.17 113.70 105.88 1vae s SER 62 Ca -0.13 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1vae s SER 62 Cb 0.04 0.43 0.10 0.00 0.21 0.00 0.00 66.02 66.80 1vae s SER 62 CO 0.32 -0.74 0.12 -0.63 0.41 0.00 0.00 173.24 172.72 1vae s ILE 63 N -3.15 0.55 0.00 1.44 1.01 -1.23 -1.88 121.20 117.95 1vae s ILE 63 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1vae s ILE 63 Cb 0.01 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1vae s ILE 63 CO -0.07 -0.72 0.00 1.67 0.00 0.00 0.00 174.94 175.82 1vae n GLN 64 N 4.89 0.00 0.00 2.79 0.00 0.10 -2.86 117.38 122.30 1vae n GLN 64 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1vae n GLN 64 Cb 0.41 -2.40 0.00 0.00 0.00 0.00 0.00 30.24 28.25 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 1.44 3.03 1.69 0.00 -1.26 -4.88 105.19 103.20 1vae n GLY 65 Ca 0.00 -0.03 -0.18 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 0.00 0.00 -3.91 1.61 3.14 -1.13 -4.95 118.33 113.09 1vae n VAL 66 Ca 0.00 -0.03 -0.34 0.00 -2.96 0.00 0.00 64.34 61.01 1vae n VAL 66 Cb 0.00 -0.52 -0.13 0.00 -1.06 0.00 0.00 33.84 32.13 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 -2.04 4.98 -0.56 6.55 1.01 -1.26 -3.50 116.67 121.84 1vae s ASP 67 Ca 0.38 -2.03 0.02 0.00 0.71 0.00 0.00 52.55 51.62 1vae s ASP 67 Cb -0.06 -1.72 0.42 0.00 1.01 0.00 0.00 42.92 42.57 1vae s ASP 67 CO 0.34 -0.44 1.63 0.00 0.21 0.00 0.00 175.17 176.92 1vae n LYS 69 N -0.70 0.85 -0.06 0.00 4.81 -0.99 -3.70 118.16 118.37 1vae n LYS 69 Ca 0.51 -0.10 -0.09 0.00 -0.87 0.00 0.00 58.31 57.77 1vae n LYS 69 Cb 0.65 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.20 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 -2.36 0.00 -1.00 5.64 7.02 -1.26 -4.06 117.44 121.42 1vae n TRP 70 Ca -0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 55.98 1vae n TRP 70 Cb 0.74 -0.49 0.04 0.00 -2.42 0.00 0.00 31.31 29.18 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 -2.84 -5.60 0.00 -0.99 4.77 -1.26 -4.80 117.00 106.28 1vae n LEU 71 Ca -0.22 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1vae n LEU 71 Cb 0.74 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1vae n LEU 71 CO 0.13 -5.86 0.00 0.35 -1.33 0.00 0.00 177.39 170.68 1vae n THR 72 N -2.52 0.00 -0.05 -5.08 -2.24 -1.26 -4.58 114.28 98.55 1vae n THR 72 Ca -0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1vae n THR 72 Cb 0.55 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 68.03 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 1.64 0.14 2.28 2.07 -1.81 -3.05 116.25 117.52 1vae h VAL 73 Ca 0.00 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 1vae h VAL 73 Cb 0.00 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1vae h VAL 73 CO 0.00 0.51 -0.19 -1.28 0.02 0.00 0.00 177.57 176.63 1vae h SER 74 N -0.76 -0.55 -0.05 0.57 0.87 -1.95 0.92 113.55 112.60 1vae h SER 74 Ca -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1vae h SER 74 Cb 0.87 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1vae h SER 74 CO 0.01 -0.24 -0.03 -0.62 -0.53 0.00 0.00 176.83 175.43 1vae n GLU 75 N -3.51 -0.02 -0.29 2.24 4.71 -1.26 -0.64 120.64 121.87 1vae n GLU 75 Ca -0.04 1.00 -0.09 0.00 -0.01 0.00 0.00 57.16 58.02 1vae n GLU 75 Cb 0.17 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.02 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 -0.95 2.62 2.07 -1.50 0.73 116.25 119.22 1vae h VAL 76 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.73 1vae h VAL 76 Cb 0.02 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.61 1vae h VAL 76 CO -0.04 0.00 -0.20 0.23 0.02 0.00 0.00 177.57 177.58 1vae n MET 77 N -4.76 -0.08 -0.16 1.57 2.81 0.31 0.18 117.12 116.99 1vae n MET 77 Ca 0.01 1.47 -0.11 0.00 -1.81 0.00 0.00 57.70 57.26 1vae n MET 77 Cb 0.21 -2.22 -0.00 0.00 -0.71 0.00 0.00 33.22 30.50 1vae n MET 77 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1vae h LYS 78 N 0.00 0.88 -0.07 0.03 3.64 0.22 0.72 116.57 121.99 1vae h LYS 78 Ca 0.47 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1vae h LYS 78 Cb 0.77 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1vae h LYS 78 CO -0.97 0.97 0.01 1.25 -2.27 0.00 0.00 179.45 178.44 1vae h LEU 79 N 0.73 0.08 0.09 5.20 6.46 0.77 0.52 115.31 129.15 1vae h LEU 79 Ca 0.12 -0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.69 1vae h LEU 79 Cb 0.63 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1vae h LEU 79 CO 0.04 0.10 -0.93 -0.07 -0.62 0.00 0.00 178.44 176.96 1vae h LEU 80 N 0.09 0.28 -0.85 2.25 3.38 0.15 -3.23 115.31 117.39 1vae h LEU 80 Ca 0.02 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.18 1vae h LEU 80 Cb 0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1vae h LEU 80 CO -0.00 1.41 0.53 0.11 0.09 0.00 0.00 178.44 180.58 1vae h LYS 81 N -0.55 0.94 -0.64 1.13 1.57 0.93 -1.23 116.57 118.71 1vae h LYS 81 Ca -0.20 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1vae h LYS 81 Cb 1.51 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 1vae h LYS 81 CO 0.04 0.62 0.29 1.03 -0.57 0.00 0.00 179.45 180.87 1vae h SER 82 N 0.97 0.36 -0.43 0.86 0.87 -0.08 -0.25 113.55 115.85 1vae h SER 82 Ca 0.37 0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.71 1vae h SER 82 Cb 0.15 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.99 1vae h SER 82 CO -0.17 0.22 0.36 0.49 -0.53 0.00 0.00 176.83 177.20 1vae n PHE 83 N -4.91 1.39 -2.36 2.24 3.72 -0.48 -4.93 117.46 112.14 1vae n PHE 83 Ca 0.09 -1.73 -0.42 0.00 -0.05 0.00 0.00 57.45 55.34 1vae n PHE 83 Cb 0.25 -0.84 -0.03 0.00 -0.94 0.00 0.00 39.48 37.92 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 0.27 2.10 -0.93 1.37 0.00 -0.11 -2.67 107.32 107.35 1vae s GLY 84 Ca 0.28 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1vae s GLY 84 CO 0.01 2.27 0.00 0.61 0.00 0.00 0.00 173.10 175.98 1vae n GLY 85 N 3.42 0.30 2.87 0.20 0.00 -1.03 -4.84 105.19 106.11 1vae n GLY 85 Ca 0.11 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.03 0.97 -0.22 1.61 2.02 -1.09 -4.91 118.70 113.06 1vae s GLU 86 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.61 1vae s GLU 86 Cb 0.00 -1.08 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 1vae s GLU 86 CO 0.00 -0.18 2.01 -2.00 0.02 0.00 0.00 175.26 175.11 1vae s GLU 87 N 1.39 3.38 0.43 1.61 2.12 -1.26 -3.77 118.70 122.61 1vae s GLU 87 Ca -0.03 1.90 0.01 0.00 0.36 0.00 0.00 54.97 57.21 1vae s GLU 87 Cb -0.13 -4.26 0.01 0.00 0.26 0.00 0.00 34.13 30.00 1vae s GLU 87 CO -0.03 -1.81 0.06 1.33 -0.54 0.00 0.00 175.26 174.28 1vae n VAL 88 N 7.24 0.00 -3.91 3.70 0.24 -1.00 -4.99 118.33 119.61 1vae n VAL 88 Ca 0.26 -1.96 -0.31 0.00 -2.04 0.00 0.00 64.34 60.29 1vae n VAL 88 Cb 0.45 0.31 -0.15 0.00 -1.47 0.00 0.00 33.84 32.98 1vae n VAL 88 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1vae s GLU 89 N -3.59 1.24 -0.04 7.34 2.12 -1.26 -3.68 118.70 120.83 1vae s GLU 89 Ca 0.05 -1.51 -0.17 0.00 0.36 0.00 0.00 54.97 53.69 1vae s GLU 89 Cb -0.00 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.61 1vae s GLU 89 CO 0.03 -0.92 0.47 1.41 -0.54 0.00 0.00 175.26 175.70 1vae s MET 90 N 1.20 4.15 -0.13 4.30 -2.45 -1.19 0.01 119.30 125.19 1vae s MET 90 Ca 0.09 0.48 -0.00 0.00 -1.25 0.00 0.00 55.69 55.01 1vae s MET 90 Cb -0.18 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.56 1vae s MET 90 CO -0.14 0.45 -0.12 0.15 1.05 0.00 0.00 175.02 176.42 1vae s LYS 91 N -0.35 3.35 0.13 4.11 3.01 -0.79 -1.51 119.74 127.69 1vae s LYS 91 Ca 0.26 -0.66 0.06 0.00 -1.01 0.00 0.00 55.97 54.62 1vae s LYS 91 Cb -0.16 -2.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 1vae s LYS 91 CO 0.13 0.26 -0.15 0.14 0.51 0.00 0.00 175.35 176.23 1vae s VAL 92 N 0.25 1.44 0.24 3.17 -7.23 -1.22 -1.33 120.40 115.73 1vae s VAL 92 Ca -0.08 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1vae s VAL 92 Cb -0.15 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1vae s VAL 92 CO 0.05 -0.39 0.07 0.68 -0.31 0.00 0.00 175.10 175.20 1vae s VAL 93 N -2.12 0.62 -0.06 1.32 -7.23 -0.95 -1.44 120.40 110.55 1vae s VAL 93 Ca 0.10 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1vae s VAL 93 Cb -0.05 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1vae s VAL 93 CO 0.04 -0.10 0.01 -0.44 -0.31 0.00 0.00 175.10 174.30 1vae s SER 94 N -3.29 5.29 -0.34 4.85 0.01 -1.26 -3.13 113.70 115.82 1vae s SER 94 Ca 0.35 0.12 -0.16 0.00 1.31 0.00 0.00 55.95 57.57 1vae s SER 94 Cb 0.07 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 1vae s SER 94 CO 0.12 0.35 0.39 -0.22 0.41 0.00 0.00 173.24 174.29 1vae s LEU 95 N -1.13 4.40 -0.19 2.44 2.96 -1.26 -1.46 118.68 124.44 1vae s LEU 95 Ca 0.16 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1vae s LEU 95 Cb -0.11 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1vae s LEU 95 CO 0.05 -0.36 0.02 -0.76 -1.32 0.00 0.00 176.35 173.98 1vae s LEU 96 N 2.10 3.41 0.03 -0.68 2.01 0.28 -5.03 118.68 120.80 1vae s LEU 96 Ca 0.13 -0.12 -0.14 0.00 0.01 0.00 0.00 54.13 54.01 1vae s LEU 96 Cb -0.16 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.19 1vae s LEU 96 CO 0.12 0.09 0.31 -0.62 1.01 0.00 0.00 176.35 177.27 1vae s ASP 97 N 0.83 -0.15 0.03 2.29 -1.08 -1.26 -2.52 116.67 114.80 1vae s ASP 97 Ca 0.01 -0.12 -0.18 0.00 -0.52 0.00 0.00 52.55 51.74 1vae s ASP 97 Cb -0.14 0.35 -0.10 0.00 -1.46 0.00 0.00 42.92 41.57 1vae s ASP 97 CO 0.02 -0.58 1.27 0.28 0.52 0.00 0.00 175.17 176.68 1vae h SER 98 N 3.34 -0.56 -4.71 -0.34 0.02 -1.98 -3.49 113.55 105.83 1vae h SER 98 Ca -0.31 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1vae h SER 98 Cb 1.19 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.78 1vae h SER 98 CO 0.44 -0.40 -1.33 0.41 -1.14 0.00 0.00 176.83 174.82 1vae n THR 99 N -3.80-11.95 -3.59 -2.27 -1.04 -1.26 -4.97 114.28 85.41 1vae n THR 99 Ca -0.08 2.57 -0.36 0.00 -2.04 0.00 0.00 64.05 64.13 1vae n THR 99 Cb 0.26 -6.14 -0.08 0.00 -1.82 0.00 0.00 70.33 62.55 1vae n THR 99 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1vae s SER 100 N -0.58 6.34 0.32 8.00 1.04 -1.26 -5.08 113.70 122.48 1vae s SER 100 Ca -0.21 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.70 1vae s SER 100 Cb 0.01 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 1vae s SER 100 CO 0.57 0.10 -0.03 -0.55 0.98 0.00 0.00 173.24 174.31 1vae s SER 101 N 0.57 4.09 -0.02 7.02 0.15 -1.26 -5.14 113.70 119.11 1vae s SER 101 Ca 0.13 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1vae s SER 101 Cb -0.13 -0.52 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 1vae s SER 101 CO 0.03 -0.17 0.01 -0.04 1.20 0.00 0.00 173.24 174.26 1vae s MET 102 N -3.67 0.17 -0.07 5.44 -1.94 -1.26 -5.14 119.30 112.83 1vae s MET 102 Ca 0.33 0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 54.35 1vae s MET 102 Cb -0.01 -0.36 0.02 0.00 2.01 0.00 0.00 34.83 36.49 1vae s MET 102 CO 0.18 -0.12 0.17 -3.38 -0.01 0.00 0.00 175.02 171.87 1vae s HIS 103 N 0.86 -0.19 -0.21 -0.03 -3.43 -1.26 -5.15 115.29 105.88 1vae s HIS 103 Ca -0.08 0.48 -0.30 0.00 -0.80 0.00 0.00 55.06 54.36 1vae s HIS 103 Cb -0.11 0.05 0.15 0.00 -1.43 0.00 0.00 32.58 31.24 1vae s HIS 103 CO -0.02 -0.11 1.14 1.21 -2.00 0.00 0.00 174.74 174.97 1vae s ASN 104 N 0.27 -0.23 0.31 7.38 3.84 -1.26 -5.18 114.94 120.06 1vae s ASN 104 Ca -0.01 0.24 0.09 0.00 0.21 0.00 0.00 52.86 53.38 1vae s ASN 104 Cb -0.03 0.19 -0.04 0.00 -0.55 0.00 0.00 41.25 40.82 1vae s ASN 104 CO -0.01 -0.22 0.06 -1.59 -2.79 0.00 0.00 177.10 172.55 1vae s LYS 105 N -1.17 2.31 0.25 0.43 -2.85 -1.26 -5.14 119.74 112.31 1vae s LYS 105 Ca 0.03 -1.51 -0.19 0.00 -1.00 0.00 0.00 55.97 53.30 1vae s LYS 105 Cb -0.01 -2.14 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 1vae s LYS 105 CO -0.03 0.23 0.63 0.45 0.10 0.00 0.00 175.35 176.73 1vae s SER 106 N -3.75 -0.26 0.00 0.03 0.15 -1.26 -5.15 113.70 103.46 1vae s SER 106 Ca 0.34 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1vae s SER 106 Cb -0.04 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1vae s SER 106 CO 0.21 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 174.04 1vae n GLY 107 N -0.42 -0.74 3.80 9.45 0.00 -1.26 -5.17 105.19 110.85 1vae n GLY 107 Ca -0.06 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 1vae n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vae s PRO 108 N 0.00 2.06 0.01 1.61 0.04 -1.26 -5.09 135.00 132.37 1vae s PRO 108 Ca 0.00 0.62 -0.27 0.00 0.04 0.00 0.00 61.00 61.39 1vae s PRO 108 Cb 0.00 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1vae s PRO 108 CO 0.00 -1.64 0.62 -1.12 0.04 0.00 0.00 177.00 174.91 1vae s SER 109 N -3.91 -0.59 -0.11 6.66 0.01 -1.26 -5.16 113.70 109.34 1vae s SER 109 Ca 0.61 0.45 -0.04 0.00 1.31 0.00 0.00 55.95 58.28 1vae s SER 109 Cb -0.14 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1vae s SER 109 CO 0.54 -0.70 0.06 -0.94 0.41 0.00 0.00 173.24 172.61 1vae s SER 110 N -1.66 5.71 0.00 2.44 1.04 -1.26 -5.38 113.70 114.60 1vae s SER 110 Ca -0.08 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1vae s SER 110 Cb -0.01 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1vae s SER 110 CO 0.03 0.36 0.50 0.61 0.98 0.00 0.00 173.24 175.72