#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vd0 s SER 2 N 0.00 -0.71 -0.13 1.09 0.01 -1.26 -5.17 113.70 107.53 1vd0 s SER 2 Ca 0.00 1.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.99 1vd0 s SER 2 Cb 0.00 1.63 0.12 0.00 0.21 0.00 0.00 66.02 67.98 1vd0 s SER 2 CO 0.00 -0.15 0.95 -1.59 0.41 0.00 0.00 173.24 172.85 1vd0 s LYS 3 N 2.13 0.68 0.36 12.44 0.00 -1.26 -5.19 119.74 128.91 1vd0 s LYS 3 Ca -0.06 0.10 -0.13 0.00 0.00 0.00 0.00 55.97 55.88 1vd0 s LYS 3 Cb -0.06 0.32 0.04 0.00 0.00 0.00 0.00 37.83 38.12 1vd0 s LYS 3 CO -0.17 -0.23 0.70 -1.83 0.00 0.00 0.00 175.35 173.83 1vd0 s GLU 4 N -1.40 2.11 -0.07 1.78 -1.05 -1.26 -5.16 118.70 113.66 1vd0 s GLU 4 Ca -0.02 -1.48 -0.02 0.00 -0.15 0.00 0.00 54.97 53.31 1vd0 s GLU 4 Cb -0.00 0.58 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 1vd0 s GLU 4 CO 0.01 -0.96 0.03 0.99 0.95 0.00 0.00 175.26 176.28 1vd0 s THR 5 N -2.64 0.17 -0.30 1.83 2.01 -1.26 -5.10 115.64 110.36 1vd0 s THR 5 Ca 0.19 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1vd0 s THR 5 Cb -0.04 -0.41 0.19 0.00 0.01 0.00 0.00 72.50 72.25 1vd0 s THR 5 CO 0.13 0.18 0.75 0.12 -0.69 0.00 0.00 174.62 175.11 1vd0 s PHE 6 N 2.05 -1.32 0.00 4.92 5.36 -1.26 -5.16 117.98 122.58 1vd0 s PHE 6 Ca 0.05 1.10 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1vd0 s PHE 6 Cb -0.13 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1vd0 s PHE 6 CO -0.05 -0.74 -0.02 -0.08 -1.46 0.00 0.00 175.22 172.86 1vd0 s THR 7 N 2.88 0.17 -0.18 0.12 -1.32 -1.26 -5.14 115.64 110.91 1vd0 s THR 7 Ca 0.14 -0.25 -0.18 0.00 -1.21 0.00 0.00 61.69 60.19 1vd0 s THR 7 Cb -0.11 -0.18 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 1vd0 s THR 7 CO -0.21 -0.06 0.49 -1.00 -2.21 0.00 0.00 174.62 171.63 1vd0 s HIS 8 N -0.31 3.40 0.33 9.09 3.76 -1.26 -5.05 115.29 125.25 1vd0 s HIS 8 Ca -0.02 0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 55.64 1vd0 s HIS 8 Cb -0.02 -2.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.04 1vd0 s HIS 8 CO -0.00 -0.03 0.42 -0.47 -0.85 0.00 0.00 174.74 173.81 1vd0 s TYR 9 N 1.38 1.19 -1.25 1.40 5.04 -1.26 -4.93 117.35 118.91 1vd0 s TYR 9 Ca 0.23 -1.36 -0.09 0.00 -2.44 0.00 0.00 57.07 53.42 1vd0 s TYR 9 Cb -0.15 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 41.95 1vd0 s TYR 9 CO 0.09 -1.06 0.17 0.94 -1.34 0.00 0.00 175.55 174.36 1vd0 n GLN 10 N -0.56 -0.76 -1.86 4.97 7.27 -1.26 -4.86 117.38 120.32 1vd0 n GLN 10 Ca 0.02 0.05 -0.33 0.00 0.07 0.00 0.00 57.00 56.80 1vd0 n GLN 10 Cb 0.62 -2.76 0.04 0.00 2.41 0.00 0.00 30.24 30.55 1vd0 n GLN 10 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1vd0 s PRO 11 N -6.91 2.92 1.19 3.69 0.04 -1.26 -5.04 135.00 129.63 1vd0 s PRO 11 Ca 0.13 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1vd0 s PRO 11 Cb -0.07 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.78 1vd0 s PRO 11 CO 0.86 -1.17 1.10 1.14 0.04 0.00 0.00 177.00 178.97 1vd0 s GLN 12 N -3.93 -1.09 -0.18 4.56 -2.07 -1.26 -5.09 119.66 110.61 1vd0 s GLN 12 Ca 0.68 0.03 -0.29 0.00 -1.82 0.00 0.00 55.36 53.96 1vd0 s GLN 12 Cb -0.21 -1.60 0.12 0.00 -1.09 0.00 0.00 33.01 30.23 1vd0 s GLN 12 CO 0.38 -3.64 0.99 0.20 -1.32 0.00 0.00 175.29 171.90 1vd0 s GLY 13 N -3.78 -0.26 0.17 2.60 0.00 -1.26 -5.18 107.32 99.61 1vd0 s GLY 13 Ca 0.70 2.14 -0.09 0.00 0.00 0.00 0.00 44.72 47.47 1vd0 s GLY 13 CO 0.56 1.21 0.28 0.54 0.00 0.00 0.00 173.10 175.70 1vd0 s ASN 14 N -0.80 0.05 0.01 1.64 4.22 -1.26 -5.18 114.94 113.61 1vd0 s ASN 14 Ca -0.01 -0.91 -0.01 0.00 -2.14 0.00 0.00 52.86 49.78 1vd0 s ASN 14 Cb -0.01 0.44 -0.01 0.00 1.28 0.00 0.00 41.25 42.95 1vd0 s ASN 14 CO 0.00 -0.90 0.01 -0.55 -2.04 0.00 0.00 177.10 173.62 1vd0 s SER 15 N -2.98 0.10 -0.08 3.54 0.15 -1.26 -5.15 113.70 108.02 1vd0 s SER 15 Ca 0.19 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1vd0 s SER 15 Cb 0.03 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1vd0 s SER 15 CO 0.01 -0.18 -0.09 -1.81 1.20 0.00 0.00 173.24 172.38 1vd0 s ASP 16 N -0.79 1.74 0.00 5.45 1.11 -1.26 -5.00 116.67 117.92 1vd0 s ASP 16 Ca -0.09 -0.26 0.15 0.00 0.18 0.00 0.00 52.55 52.54 1vd0 s ASP 16 Cb -0.05 -0.75 0.88 0.00 1.07 0.00 0.00 42.92 44.07 1vd0 s ASP 16 CO -0.00 -0.04 1.36 -0.81 1.18 0.00 0.00 175.17 176.86 1vd0 n PRO 17 N 4.25 0.41 -4.66 8.23 -0.04 -1.26 -4.66 135.00 137.27 1vd0 n PRO 17 Ca -0.19 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1vd0 n PRO 17 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1vd0 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vd0 s ALA 18 N -2.15 2.87 -0.32 0.55 0.00 -1.26 -5.01 121.76 116.43 1vd0 s ALA 18 Ca 0.21 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1vd0 s ALA 18 Cb 0.11 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 22.13 1vd0 s ALA 18 CO 0.19 0.47 2.31 0.72 0.00 0.00 0.00 175.76 179.45 1vd0 n HIS 19 N 2.63 1.40 -4.35 0.00 8.25 -1.26 -4.88 115.22 117.02 1vd0 n HIS 19 Ca -0.18 -1.89 -0.20 0.00 -0.26 0.00 0.00 57.72 55.19 1vd0 n HIS 19 Cb 0.53 -1.09 -0.09 0.00 1.12 0.00 0.00 29.99 30.46 1vd0 n HIS 19 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vd0 s THR 20 N -2.00 0.27 0.12 1.59 -4.23 -1.26 -4.21 115.64 105.91 1vd0 s THR 20 Ca 0.39 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1vd0 s THR 20 Cb 0.27 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1vd0 s THR 20 CO -0.06 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.92 1vd0 s ALA 21 N -3.52 2.97 -0.32 3.99 0.00 -0.68 -4.94 121.76 119.25 1vd0 s ALA 21 Ca 0.35 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1vd0 s ALA 21 Cb 0.04 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 22.39 1vd0 s ALA 21 CO 0.19 0.60 0.08 0.95 0.00 0.00 0.00 175.76 177.59 1vd0 s THR 22 N -1.33 1.43 0.51 0.00 -4.23 -1.26 -2.91 115.64 107.85 1vd0 s THR 22 Ca 0.22 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 1vd0 s THR 22 Cb -0.11 -2.07 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 1vd0 s THR 22 CO 0.14 -0.65 0.78 0.00 -0.54 0.00 0.00 174.62 174.35 1vd0 s ALA 23 N 1.31 3.51 -1.90 3.99 0.00 -1.00 -4.90 121.76 122.77 1vd0 s ALA 23 Ca 0.10 -0.82 0.15 0.00 0.00 0.00 0.00 51.96 51.40 1vd0 s ALA 23 Cb -0.18 -2.40 0.90 0.00 0.00 0.00 0.00 23.12 21.44 1vd0 s ALA 23 CO -0.18 -0.53 1.35 -0.35 0.00 0.00 0.00 175.76 176.05 1vd0 n PRO 24 N -2.30 0.44 -1.47 0.00 -0.04 -1.26 -1.89 135.00 128.47 1vd0 n PRO 24 Ca 0.02 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1vd0 n PRO 24 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1vd0 n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vd0 n GLY 25 N -0.03 -4.74 0.06 0.55 0.00 -1.24 -3.66 105.19 96.14 1vd0 n GLY 25 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1vd0 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vd0 n GLY 26 N 1.10 -0.84 3.13 -0.02 0.00 -0.55 -4.76 105.19 103.25 1vd0 n GLY 26 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1vd0 n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vd0 n LEU 27 N 0.00 -4.26 -0.08 0.99 0.00 -0.89 -4.73 117.00 108.03 1vd0 n LEU 27 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 56.01 56.15 1vd0 n LEU 27 Cb 0.51 -0.89 -0.11 0.00 0.00 0.00 0.00 43.42 42.94 1vd0 n LEU 27 CO 0.00 -5.28 0.10 -1.28 0.00 0.00 0.00 177.39 170.93 1vd0 h SER 28 N -0.99 0.00 -5.72 1.96 0.87 -1.91 -3.40 113.55 104.35 1vd0 h SER 28 Ca -0.44 -0.73 -0.36 0.00 -1.23 0.00 0.00 61.79 59.03 1vd0 h SER 28 Cb 1.31 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.15 1vd0 h SER 28 CO 0.28 1.05 -0.42 0.00 -0.53 0.00 0.00 176.83 177.21 1vd0 s ALA 29 N -2.31 1.38 0.34 6.23 0.00 -1.26 -4.64 121.76 121.50 1vd0 s ALA 29 Ca -0.19 -1.82 -0.27 0.00 0.00 0.00 0.00 51.96 49.68 1vd0 s ALA 29 Cb -0.00 1.36 -0.13 0.00 0.00 0.00 0.00 23.12 24.35 1vd0 s ALA 29 CO 0.57 -0.69 1.06 0.36 0.00 0.00 0.00 175.76 177.06 1vd0 n LYS 30 N -0.54 1.51 -3.67 0.00 0.00 -1.26 -3.60 118.16 110.61 1vd0 n LYS 30 Ca 0.04 0.53 -0.11 0.00 -0.00 0.00 0.00 58.31 58.78 1vd0 n LYS 30 Cb 0.63 -2.01 -0.09 0.00 -0.00 0.00 0.00 35.03 33.57 1vd0 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vd0 s ALA 31 N -1.14 -1.46 0.86 0.58 0.00 -0.80 -4.93 121.76 114.88 1vd0 s ALA 31 Ca 0.59 1.83 -0.11 0.00 0.00 0.00 0.00 51.96 54.27 1vd0 s ALA 31 Cb -0.63 -1.08 0.11 0.00 0.00 0.00 0.00 23.12 21.52 1vd0 s ALA 31 CO 0.60 -0.30 1.09 -1.25 0.00 0.00 0.00 175.76 175.90 1vd0 s PRO 32 N 0.96 1.52 0.46 0.00 0.04 -1.26 -2.28 135.00 134.43 1vd0 s PRO 32 Ca -0.05 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 61.82 1vd0 s PRO 32 Cb -0.05 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1vd0 s PRO 32 CO -0.09 -2.08 0.62 0.00 0.04 0.00 0.00 177.00 175.49 1vd0 n ALA 33 N -3.79 -0.69 -3.40 8.56 0.00 -1.26 -4.57 120.51 115.35 1vd0 n ALA 33 Ca 0.08 -0.82 -0.17 0.00 0.00 0.00 0.00 53.44 52.53 1vd0 n ALA 33 Cb 0.55 -0.03 0.08 0.00 0.00 0.00 0.00 19.45 20.04 1vd0 n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1vd0 n MET 34 N -2.31 -5.33 -3.62 0.00 2.81 0.17 -4.69 117.12 104.15 1vd0 n MET 34 Ca 0.08 0.84 -0.16 0.00 -1.81 0.00 0.00 57.70 56.65 1vd0 n MET 34 Cb 0.27 -5.80 -0.07 0.00 -0.71 0.00 0.00 33.22 26.91 1vd0 n MET 34 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vd0 s THR 35 N -3.39 0.02 0.42 2.03 -4.23 -1.25 -0.91 115.64 108.34 1vd0 s THR 35 Ca 0.12 -0.15 -0.24 0.00 -1.18 0.00 0.00 61.69 60.24 1vd0 s THR 35 Cb -0.02 -0.84 -0.08 0.00 1.34 0.00 0.00 72.50 72.90 1vd0 s THR 35 CO 0.74 -0.08 1.18 -2.16 -0.54 0.00 0.00 174.62 173.75 1vd0 s PRO 36 N -0.98 3.93 0.31 3.99 0.04 -1.26 -0.31 135.00 140.71 1vd0 s PRO 36 Ca -0.10 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1vd0 s PRO 36 Cb -0.02 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1vd0 s PRO 36 CO 0.07 -0.43 0.05 -0.51 0.04 0.00 0.00 177.00 176.21 1vd0 s LEU 37 N -2.70 2.17 0.08 -3.56 1.43 0.17 -3.18 118.68 113.09 1vd0 s LEU 37 Ca 0.60 -1.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1vd0 s LEU 37 Cb -0.30 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 1vd0 s LEU 37 CO 0.38 -0.59 -0.12 0.00 0.23 0.00 0.00 176.35 176.25 1vd0 s MET 38 N -3.89 0.82 0.96 1.70 0.23 0.11 -0.62 119.30 118.61 1vd0 s MET 38 Ca 0.35 -1.04 -0.12 0.00 -1.03 0.00 0.00 55.69 53.85 1vd0 s MET 38 Cb 0.08 -0.67 0.16 0.00 -1.53 0.00 0.00 34.83 32.87 1vd0 s MET 38 CO 0.15 0.13 1.10 -0.51 -2.03 0.00 0.00 175.02 173.86 1vd0 s LEU 39 N -2.06 1.83 1.05 0.18 1.43 -1.26 -1.23 118.68 118.62 1vd0 s LEU 39 Ca 0.01 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1vd0 s LEU 39 Cb -0.07 -3.46 0.22 0.00 0.03 0.00 0.00 46.19 42.91 1vd0 s LEU 39 CO 0.01 -2.89 1.14 -0.62 0.23 0.00 0.00 176.35 174.23 1vd0 s ASP 40 N -3.59 2.23 0.00 2.29 2.15 -0.41 -4.69 116.67 114.65 1vd0 s ASP 40 Ca 0.64 0.79 0.07 0.00 0.43 0.00 0.00 52.55 54.48 1vd0 s ASP 40 Cb -0.17 -1.19 0.34 0.00 -0.30 0.00 0.00 42.92 41.60 1vd0 s ASP 40 CO 0.56 -3.33 1.06 1.07 -0.17 0.00 0.00 175.17 174.37 1vd0 n THR 41 N -4.25 0.86 -1.90 1.71 5.66 -1.26 -1.55 114.28 113.54 1vd0 n THR 41 Ca 0.10 0.22 0.03 0.00 -3.05 0.00 0.00 64.05 61.35 1vd0 n THR 41 Cb 0.59 -1.10 0.05 0.00 -1.55 0.00 0.00 70.33 68.31 1vd0 n THR 41 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1vd0 n SER 42 N -1.28 0.78 -4.21 1.09 3.41 -1.26 -4.99 113.62 107.16 1vd0 n SER 42 Ca 0.03 -2.35 -0.36 0.00 -0.26 0.00 0.00 58.87 55.93 1vd0 n SER 42 Cb 0.05 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1vd0 n SER 42 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vd0 n SER 43 N -0.25 -3.12 -0.07 4.04 2.88 -0.60 -4.81 113.62 111.69 1vd0 n SER 43 Ca 0.06 -0.99 -0.15 0.00 -1.33 0.00 0.00 58.87 56.45 1vd0 n SER 43 Cb 0.78 -2.57 -0.05 0.00 -0.75 0.00 0.00 64.21 61.62 1vd0 n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1vd0 n ARG 44 N -4.27 0.30 -3.47 -1.46 5.12 -1.26 -4.87 116.66 106.75 1vd0 n ARG 44 Ca 0.08 0.13 -0.23 0.00 -1.93 0.00 0.00 57.85 55.90 1vd0 n ARG 44 Cb 0.48 -1.00 0.04 0.00 -1.16 0.00 0.00 32.46 30.82 1vd0 n ARG 44 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1vd0 s LYS 45 N -2.26 2.23 -0.08 5.56 3.01 -1.26 -4.70 119.74 122.23 1vd0 s LYS 45 Ca -0.20 -1.89 0.03 0.00 -1.01 0.00 0.00 55.97 52.89 1vd0 s LYS 45 Cb 0.08 -2.36 0.01 0.00 -1.01 0.00 0.00 37.83 34.55 1vd0 s LYS 45 CO 0.25 -0.83 -0.16 -1.17 0.51 0.00 0.00 175.35 173.96 1vd0 s LEU 46 N -4.52 1.76 0.20 3.17 1.98 -1.26 -1.29 118.68 118.72 1vd0 s LEU 46 Ca 0.48 -0.39 -0.00 0.00 -2.89 0.00 0.00 54.13 51.33 1vd0 s LEU 46 Cb -0.04 -1.02 -0.04 0.00 0.66 0.00 0.00 46.19 45.75 1vd0 s LEU 46 CO 0.30 0.06 0.09 0.68 -1.89 0.00 0.00 176.35 175.59 1vd0 s VAL 47 N 0.65 0.27 0.90 1.68 -7.23 -0.37 -1.48 120.40 114.82 1vd0 s VAL 47 Ca -0.14 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 57.95 1vd0 s VAL 47 Cb -0.16 -2.38 0.13 0.00 0.56 0.00 0.00 36.38 34.54 1vd0 s VAL 47 CO 0.04 -0.18 1.12 0.00 -0.31 0.00 0.00 175.10 175.78 1vd0 s ALA 48 N -3.96 1.52 0.34 1.32 0.00 -1.26 0.09 121.76 119.80 1vd0 s ALA 48 Ca 0.33 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 1vd0 s ALA 48 Cb 0.07 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1vd0 s ALA 48 CO 0.09 -2.60 0.93 -0.46 0.00 0.00 0.00 175.76 173.72 1vd0 s TRP 49 N -2.70 3.62 0.05 0.00 -0.00 -1.19 -3.93 118.94 114.80 1vd0 s TRP 49 Ca 0.65 1.73 -0.19 0.00 -0.00 0.00 0.00 56.10 58.30 1vd0 s TRP 49 Cb -0.21 -2.89 -0.13 0.00 -0.00 0.00 0.00 33.47 30.23 1vd0 s TRP 49 CO 0.58 0.16 1.35 0.22 -0.00 0.00 0.00 176.95 179.26 1vd0 h ASP 50 N 2.96 0.49 0.00 5.86 3.58 -1.93 -3.48 116.42 123.91 1vd0 h ASP 50 Ca -0.47 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.48 1vd0 h ASP 50 Cb 1.19 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1vd0 h ASP 50 CO 0.64 0.89 0.00 0.61 -2.88 0.00 0.00 179.24 178.50 1vd0 n GLY 51 N 0.25 2.38 0.26 -0.78 0.00 -1.26 -4.64 105.19 101.40 1vd0 n GLY 51 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1vd0 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vd0 n THR 52 N -0.55 1.14 -1.62 2.61 -2.24 -1.26 -2.56 114.28 109.80 1vd0 n THR 52 Ca 0.00 -0.34 -0.55 0.00 -2.27 0.00 0.00 64.05 60.89 1vd0 n THR 52 Cb 0.00 -1.58 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 1vd0 n THR 52 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1vd0 n THR 53 N -3.64 0.29 -2.60 4.28 -1.04 -1.26 -4.89 114.28 105.41 1vd0 n THR 53 Ca -0.39 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 1vd0 n THR 53 Cb 0.82 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.96 1vd0 n THR 53 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1vd0 s ASP 54 N 4.69 7.19 -0.32 8.00 1.47 -1.26 -3.24 116.67 133.20 1vd0 s ASP 54 Ca 1.02 1.67 0.00 0.00 1.18 0.00 0.00 52.55 56.43 1vd0 s ASP 54 Cb -1.01 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.01 1vd0 s ASP 54 CO 0.61 -0.46 0.00 0.61 0.68 0.00 0.00 175.17 176.61 1vd0 n GLY 55 N 3.15 0.44 0.11 2.12 0.00 -1.26 -4.94 105.19 104.82 1vd0 n GLY 55 Ca 0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1vd0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vd0 h ALA 56 N 0.08 0.53 -2.39 4.61 0.00 -1.69 -3.46 119.26 116.93 1vd0 h ALA 56 Ca -0.07 -1.37 -0.53 0.00 0.00 0.00 0.00 54.91 52.93 1vd0 h ALA 56 Cb 0.63 0.55 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1vd0 h ALA 56 CO 0.10 1.38 1.17 0.00 0.00 0.00 0.00 179.25 181.90 1vd0 s ALA 57 N -2.58 3.64 -0.13 0.00 0.00 -1.24 -4.33 121.76 117.13 1vd0 s ALA 57 Ca -0.14 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1vd0 s ALA 57 Cb 0.07 -3.80 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1vd0 s ALA 57 CO 0.80 -1.43 -0.07 1.33 0.00 0.00 0.00 175.76 176.40 1vd0 n VAL 58 N 5.27 0.76 -3.97 0.00 0.24 0.21 -4.39 118.33 116.45 1vd0 n VAL 58 Ca 0.19 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1vd0 n VAL 58 Cb 0.40 -0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 31.85 1vd0 n VAL 58 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1vd0 s GLY 59 N -5.00 0.78 -0.15 7.63 0.00 -1.24 -4.88 107.32 104.45 1vd0 s GLY 59 Ca -0.14 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1vd0 s GLY 59 CO 0.35 -0.63 -0.18 -0.42 0.00 0.00 0.00 173.10 172.22 1vd0 s ILE 60 N -3.20 2.38 0.06 0.90 1.01 -1.25 0.42 121.20 121.52 1vd0 s ILE 60 Ca 0.22 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.68 1vd0 s ILE 60 Cb -0.02 -1.98 -0.12 0.00 0.01 0.00 0.00 42.46 40.35 1vd0 s ILE 60 CO 0.14 0.53 1.78 -0.11 0.00 0.00 0.00 174.94 177.28 1vd0 n LEU 61 N 4.09 3.58 -0.03 2.97 0.00 0.57 -0.38 117.00 127.80 1vd0 n LEU 61 Ca -0.20 1.01 -0.15 0.00 0.00 0.00 0.00 56.01 56.67 1vd0 n LEU 61 Cb 0.52 -1.45 -0.12 0.00 0.00 0.00 0.00 43.42 42.36 1vd0 n LEU 61 CO 0.28 -0.03 0.39 0.00 0.00 0.00 0.00 177.39 178.02 1vd0 h ALA 62 N 8.07 0.01 -4.19 1.96 0.00 -1.62 0.47 119.26 123.96 1vd0 h ALA 62 Ca -0.47 -0.47 -0.69 0.00 0.00 0.00 0.00 54.91 53.28 1vd0 h ALA 62 Cb 1.25 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.75 1vd0 h ALA 62 CO 0.93 0.05 -0.88 0.08 0.00 0.00 0.00 179.25 179.43 1vd0 s VAL 63 N -2.89 2.13 0.05 0.00 1.01 -1.23 -4.30 120.40 115.16 1vd0 s VAL 63 Ca -0.17 -1.05 -0.36 0.00 0.00 0.00 0.00 61.98 60.40 1vd0 s VAL 63 Cb -0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 36.38 34.47 1vd0 s VAL 63 CO 0.73 0.57 1.57 0.00 0.00 0.00 0.00 175.10 177.97 1vd0 n ALA 64 N 2.77 0.37 -2.52 5.51 0.00 -1.26 -4.57 120.51 120.80 1vd0 n ALA 64 Ca -0.17 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.45 1vd0 n ALA 64 Cb 0.52 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1vd0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 s ALA 65 N 1.58 2.93 0.16 0.00 0.00 -0.97 -4.84 121.76 120.63 1vd0 s ALA 65 Ca 0.85 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1vd0 s ALA 65 Cb -0.81 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1vd0 s ALA 65 CO 0.46 -0.31 -0.04 0.16 0.00 0.00 0.00 175.76 176.04 1vd0 s ASP 66 N -3.61 1.39 0.29 0.00 1.47 -1.26 -1.90 116.67 113.05 1vd0 s ASP 66 Ca 0.24 -1.11 0.20 0.00 1.18 0.00 0.00 52.55 53.06 1vd0 s ASP 66 Cb 0.03 0.07 1.06 0.00 -0.34 0.00 0.00 42.92 43.75 1vd0 s ASP 66 CO 0.14 -0.49 1.61 0.00 0.68 0.00 0.00 175.17 177.11 1vd0 n GLN 67 N -0.21 0.13 0.00 2.11 -0.00 -1.24 -0.29 117.38 117.89 1vd0 n GLN 67 Ca -0.08 0.61 0.13 0.00 -0.00 0.00 0.00 57.00 57.65 1vd0 n GLN 67 Cb 0.62 -1.91 0.39 0.00 -0.00 0.00 0.00 30.24 29.34 1vd0 n GLN 67 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1vd0 n THR 68 N -2.19 0.00 -2.31 -0.39 5.66 -1.26 -4.64 114.28 109.15 1vd0 n THR 68 Ca -0.01 -0.08 -0.41 0.00 -3.05 0.00 0.00 64.05 60.50 1vd0 n THR 68 Cb 0.05 0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 69.03 1vd0 n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vd0 s SER 69 N -2.65 7.03 0.00 1.09 0.01 0.60 -4.92 113.70 114.86 1vd0 s SER 69 Ca 0.21 2.36 0.28 0.00 1.31 0.00 0.00 55.95 60.11 1vd0 s SER 69 Cb 0.19 -2.62 1.07 0.00 0.21 0.00 0.00 66.02 64.87 1vd0 s SER 69 CO 0.56 -0.39 1.80 0.41 0.41 0.00 0.00 173.24 176.04 1vd0 n THR 70 N 1.96 0.00 -3.64 1.44 -1.04 -1.26 -4.57 114.28 107.16 1vd0 n THR 70 Ca 0.03 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.90 1vd0 n THR 70 Cb 0.44 -0.29 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1vd0 n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1vd0 s THR 71 N -2.96 0.00 -0.13 12.58 2.01 -1.24 -3.65 115.64 122.26 1vd0 s THR 71 Ca 0.15 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1vd0 s THR 71 Cb 0.19 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1vd0 s THR 71 CO 0.57 -0.00 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.60 1vd0 s LEU 72 N 0.30 2.69 -0.59 4.42 1.43 -0.79 -4.76 118.68 121.37 1vd0 s LEU 72 Ca -0.00 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1vd0 s LEU 72 Cb -0.05 -1.60 0.15 0.00 0.03 0.00 0.00 46.19 44.73 1vd0 s LEU 72 CO 0.01 0.17 0.50 -0.89 0.23 0.00 0.00 176.35 176.37 1vd0 s THR 73 N 0.33 4.73 0.27 5.49 2.01 -1.26 -2.38 115.64 124.82 1vd0 s THR 73 Ca -0.11 -2.02 0.11 0.00 0.31 0.00 0.00 61.69 59.98 1vd0 s THR 73 Cb -0.16 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1vd0 s THR 73 CO 0.06 -0.87 -0.12 0.72 -0.69 0.00 0.00 174.62 173.71 1vd0 s PHE 74 N 0.97 2.46 0.86 4.92 -0.71 -1.15 -1.61 117.98 123.72 1vd0 s PHE 74 Ca 0.09 -0.29 -0.12 0.00 -1.04 0.00 0.00 56.93 55.58 1vd0 s PHE 74 Cb -0.23 -1.09 0.11 0.00 -1.21 0.00 0.00 43.02 40.60 1vd0 s PHE 74 CO -0.02 0.67 1.13 0.71 -1.34 0.00 0.00 175.22 176.37 1vd0 s TYR 75 N -2.37 2.71 0.00 3.49 2.02 0.49 -1.69 117.35 122.00 1vd0 s TYR 75 Ca 0.30 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1vd0 s TYR 75 Cb -0.06 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.17 1vd0 s TYR 75 CO 0.17 -2.06 0.00 0.36 -1.57 0.00 0.00 175.55 172.44 1vd0 n LYS 76 N -3.57 3.47 -3.76 -0.62 -0.00 -1.26 -3.77 118.16 108.65 1vd0 n LYS 76 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.33 1vd0 n LYS 76 Cb 0.59 -0.99 -0.02 0.00 -0.00 0.00 0.00 35.03 34.61 1vd0 n LYS 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1vd0 s SER 77 N -3.10 -0.22 0.00 -5.58 0.01 -1.26 -4.42 113.70 99.13 1vd0 s SER 77 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1vd0 s SER 77 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1vd0 s SER 77 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1vd0 n GLY 78 N -0.45 2.91 3.65 3.44 0.00 -1.26 -4.96 105.19 108.51 1vd0 n GLY 78 Ca -0.06 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1vd0 n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vd0 s THR 79 N -2.19 4.23 -0.06 2.61 2.01 -1.26 -2.19 115.64 118.79 1vd0 s THR 79 Ca 0.00 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.49 1vd0 s THR 79 Cb 0.00 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 1vd0 s THR 79 CO 0.00 -0.30 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.06 1vd0 s PHE 80 N 3.93 2.11 -0.22 4.92 0.08 0.77 -5.01 117.98 124.56 1vd0 s PHE 80 Ca 0.55 -0.67 -0.29 0.00 0.12 0.00 0.00 56.93 56.64 1vd0 s PHE 80 Cb -0.19 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1vd0 s PHE 80 CO 0.18 -0.23 1.02 1.03 -0.10 0.00 0.00 175.22 177.12 1vd0 s ARG 81 N 0.04 4.27 0.30 0.44 0.52 -1.26 -1.30 118.95 121.95 1vd0 s ARG 81 Ca -0.07 1.33 0.12 0.00 -0.52 0.00 0.00 55.73 56.59 1vd0 s ARG 81 Cb -0.14 -3.63 0.43 0.00 0.52 0.00 0.00 34.95 32.13 1vd0 s ARG 81 CO 0.04 -0.60 1.65 -0.92 0.02 0.00 0.00 175.30 175.49 1vd0 h TYR 82 N 7.44 0.00 -0.59 -0.53 5.03 -1.92 -2.26 116.97 124.15 1vd0 h TYR 82 Ca -0.20 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.19 1vd0 h TYR 82 Cb 1.07 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.31 1vd0 h TYR 82 CO 0.75 0.56 0.39 0.93 -1.32 0.00 0.00 178.16 179.47 1vd0 h GLU 83 N 0.00 0.46 0.05 1.82 5.08 -1.91 -2.91 114.58 117.17 1vd0 h GLU 83 Ca -0.01 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1vd0 h GLU 83 Cb 1.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1vd0 h GLU 83 CO 0.07 0.31 -1.48 0.22 -1.00 0.00 0.00 179.01 177.13 1vd0 h ASP 84 N 0.48 0.15 -1.27 1.42 3.58 -1.94 -3.47 116.42 115.37 1vd0 h ASP 84 Ca 0.26 -0.67 -0.81 0.00 0.42 0.00 0.00 57.03 56.24 1vd0 h ASP 84 Cb 0.42 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.43 1vd0 h ASP 84 CO -0.08 1.61 0.79 0.52 -2.88 0.00 0.00 179.24 179.20 1vd0 n VAL 85 N -4.12 0.15 -2.57 2.25 0.31 -0.86 -4.81 118.33 108.69 1vd0 n VAL 85 Ca -0.31 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.56 1vd0 n VAL 85 Cb 0.81 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1vd0 n VAL 85 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1vd0 n LEU 86 N 4.66 5.14 -4.76 7.52 0.00 -0.09 -4.93 117.00 124.54 1vd0 n LEU 86 Ca 0.29 -4.03 -0.36 0.00 0.00 0.00 0.00 56.01 51.91 1vd0 n LEU 86 Cb 0.04 -1.72 0.01 0.00 0.00 0.00 0.00 43.42 41.75 1vd0 n LEU 86 CO 0.85 0.32 0.82 0.26 0.00 0.00 0.00 177.39 179.64 1vd0 s TRP 87 N 3.71 2.56 0.38 1.96 0.52 -1.26 -4.76 118.94 122.05 1vd0 s TRP 87 Ca 0.52 1.53 -0.26 0.00 0.02 0.00 0.00 56.10 57.90 1vd0 s TRP 87 Cb 0.04 -3.39 -0.09 0.00 -1.15 0.00 0.00 33.47 28.88 1vd0 s TRP 87 CO 0.06 -1.87 1.20 -1.25 0.02 0.00 0.00 176.95 175.10 1vd0 s PRO 88 N -3.24 4.13 0.37 4.98 0.04 -1.26 -4.94 135.00 135.09 1vd0 s PRO 88 Ca 0.74 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.74 1vd0 s PRO 88 Cb -0.27 -2.78 0.69 0.00 0.04 0.00 0.00 34.50 32.18 1vd0 s PRO 88 CO 0.31 -0.28 2.01 1.05 0.04 0.00 0.00 177.00 180.13 1vd0 h GLU 89 N 2.84 0.72 -0.81 4.56 4.11 -1.94 -2.86 114.58 121.21 1vd0 h GLU 89 Ca -0.49 -0.05 0.23 0.00 0.07 0.00 0.00 59.36 59.12 1vd0 h GLU 89 Cb 1.23 -0.16 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1vd0 h GLU 89 CO 0.63 0.50 0.03 0.00 0.07 0.00 0.00 179.01 180.25 1vd0 n ALA 90 N -2.45 0.43 -2.14 1.06 0.00 -1.26 -4.00 120.51 112.14 1vd0 n ALA 90 Ca 0.05 0.86 -0.43 0.00 0.00 0.00 0.00 53.44 53.92 1vd0 n ALA 90 Cb 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1vd0 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 s ALA 91 N -5.72 3.25 -0.10 0.00 0.00 -1.06 -4.70 121.76 113.42 1vd0 s ALA 91 Ca -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1vd0 s ALA 91 Cb 0.24 -3.86 -0.26 0.00 0.00 0.00 0.00 23.12 19.24 1vd0 s ALA 91 CO 0.63 -2.00 0.44 0.45 0.00 0.00 0.00 175.76 175.28 1vd0 n SER 92 N 8.52 1.91 -4.71 0.00 2.88 -1.26 -4.86 113.62 116.10 1vd0 n SER 92 Ca 0.19 0.26 -0.39 0.00 -1.33 0.00 0.00 58.87 57.59 1vd0 n SER 92 Cb 0.45 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 1vd0 n SER 92 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vd0 s ASP 93 N -6.88 6.89 0.26 -3.46 2.15 -1.26 -4.96 116.67 109.40 1vd0 s ASP 93 Ca -0.19 1.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.85 1vd0 s ASP 93 Cb 0.07 -2.38 0.34 0.00 -0.30 0.00 0.00 42.92 40.64 1vd0 s ASP 93 CO 0.78 -0.13 1.75 1.05 -0.17 0.00 0.00 175.17 178.45 1vd0 h GLU 94 N 6.88 0.74 0.00 4.34 4.11 -2.00 -2.40 114.58 126.26 1vd0 h GLU 94 Ca -0.39 -0.22 -0.05 0.00 0.07 0.00 0.00 59.36 58.77 1vd0 h GLU 94 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1vd0 h GLU 94 CO 0.76 0.79 -0.25 1.15 0.07 0.00 0.00 179.01 181.53 1vd0 h THR 95 N 0.68 0.85 -0.09 -1.06 2.02 -1.96 0.23 112.91 113.58 1vd0 h THR 95 Ca 0.13 -0.96 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 1vd0 h THR 95 Cb 0.50 1.58 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1vd0 h THR 95 CO 0.03 0.24 -0.45 0.11 0.37 0.00 0.00 175.52 175.82 1vd0 h LYS 96 N 0.00 0.47 0.03 6.66 1.57 -1.82 -1.96 116.57 121.51 1vd0 h LYS 96 Ca -0.00 -0.38 -0.12 0.00 -1.87 0.00 0.00 60.65 58.28 1vd0 h LYS 96 Cb 0.56 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1vd0 h LYS 96 CO 0.03 1.01 -0.48 1.57 -0.57 0.00 0.00 179.45 181.01 1vd0 h LYS 97 N 0.03 0.27 0.00 3.15 2.10 -1.33 -0.44 116.57 120.36 1vd0 h LYS 97 Ca -0.03 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1vd0 h LYS 97 Cb 1.10 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1vd0 h LYS 97 CO 0.09 1.07 0.00 0.00 -2.00 0.00 0.00 179.45 178.61 1vd0 h ARG 98 N -0.37 0.00 -0.16 0.07 3.08 -0.67 -1.57 114.38 114.76 1vd0 h ARG 98 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1vd0 h ARG 98 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1vd0 h ARG 98 CO 0.09 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.40 1vd0 n THR 99 N -2.97 0.47 0.26 2.04 -1.04 -0.74 -4.56 114.28 107.74 1vd0 n THR 99 Ca -0.01 -0.74 0.15 0.00 -2.04 0.00 0.00 64.05 61.41 1vd0 n THR 99 Cb 0.18 0.88 0.79 0.00 -1.82 0.00 0.00 70.33 70.35 1vd0 n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vd0 h ALA 100 N 1.94 1.11 -0.57 2.41 0.00 -0.01 0.62 119.26 124.77 1vd0 h ALA 100 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1vd0 h ALA 100 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1vd0 h ALA 100 CO 0.00 -0.11 0.29 1.19 0.00 0.00 0.00 179.25 180.61 1vd0 n PHE 101 N -2.61 1.82 -1.96 0.00 3.72 -1.26 -3.61 117.46 113.56 1vd0 n PHE 101 Ca -0.02 -1.08 -0.43 0.00 -0.05 0.00 0.00 57.45 55.87 1vd0 n PHE 101 Cb 0.18 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 1vd0 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vd0 s ALA 102 N -2.18 3.34 0.00 4.37 0.00 0.21 -2.26 121.76 125.24 1vd0 s ALA 102 Ca 0.37 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1vd0 s ALA 102 Cb 0.30 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1vd0 s ALA 102 CO 0.08 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.41 1vd0 n GLY 103 N 4.63 1.38 3.93 0.00 0.00 -1.26 -4.91 105.19 108.96 1vd0 n GLY 103 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1vd0 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vd0 s THR 104 N -1.68 3.76 -1.22 2.61 -4.23 -0.96 -4.97 115.64 108.95 1vd0 s THR 104 Ca 0.00 -0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1vd0 s THR 104 Cb 0.00 -3.46 0.23 0.00 1.34 0.00 0.00 72.50 70.61 1vd0 s THR 104 CO 0.00 -0.43 0.98 0.00 -0.54 0.00 0.00 174.62 174.63 1vd0 n ALA 105 N -2.43 2.75 -1.89 3.99 0.00 -1.26 -4.89 120.51 116.79 1vd0 n ALA 105 Ca 0.04 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.59 1vd0 n ALA 105 Cb 0.58 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1vd0 n ALA 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vd0 s ILE 106 N -1.59 4.29 -0.19 0.00 1.01 -1.26 -4.06 121.20 119.40 1vd0 s ILE 106 Ca 0.16 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.56 1vd0 s ILE 106 Cb 0.11 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.54 1vd0 s ILE 106 CO 0.07 0.31 -0.16 -0.44 0.00 0.00 0.00 174.94 174.72 1vd0 s SER 107 N -1.43 3.35 0.02 3.58 0.01 -0.93 -4.91 113.70 113.39 1vd0 s SER 107 Ca 0.44 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.92 1vd0 s SER 107 Cb -0.21 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1vd0 s SER 107 CO 0.25 -0.07 -0.03 -0.51 0.41 0.00 0.00 173.24 173.29 1vd0 s ILE 108 N 1.30 3.88 -1.45 1.44 1.10 -1.26 -0.17 121.20 126.05 1vd0 s ILE 108 Ca 0.01 -0.76 0.12 0.00 -0.51 0.00 0.00 60.65 59.51 1vd0 s ILE 108 Cb -0.15 -2.74 0.09 0.00 0.15 0.00 0.00 42.46 39.82 1vd0 s ILE 108 CO -0.10 0.34 0.87 0.52 -2.11 0.00 0.00 174.94 174.45