#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vn5 s SER 12 N 0.00 -0.14 0.04 -1.12 1.04 -1.26 -4.72 113.70 107.54 2vn5 s SER 12 Ca 0.00 -0.10 -0.31 0.00 0.48 0.00 0.00 55.95 56.03 2vn5 s SER 12 Cb 0.00 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 2vn5 s SER 12 CO 0.00 -0.55 1.36 -0.22 0.98 0.00 0.00 173.24 174.81 2vn5 s LEU 13 N -1.78 4.34 -0.17 2.42 2.96 -0.42 -4.77 118.68 121.26 2vn5 s LEU 13 Ca -0.08 2.15 -0.15 0.00 -0.22 0.00 0.00 54.13 55.82 2vn5 s LEU 13 Cb -0.03 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 2vn5 s LEU 13 CO -0.00 -0.66 0.37 -0.54 -1.32 0.00 0.00 176.35 174.20 2vn5 s LYS 14 N 1.84 4.24 -0.11 1.98 -0.14 -0.72 0.06 119.74 126.89 2vn5 s LYS 14 Ca 0.63 0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 55.45 2vn5 s LYS 14 Cb -0.32 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.38 2vn5 s LYS 14 CO 0.28 0.11 -0.08 0.08 -0.76 0.00 0.00 175.35 174.98 2vn5 s VAL 15 N 0.82 1.05 -0.10 3.17 1.01 -0.19 -1.20 120.40 124.97 2vn5 s VAL 15 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2vn5 s VAL 15 Cb -0.14 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2vn5 s VAL 15 CO 0.07 0.37 -0.09 -0.89 0.00 0.00 0.00 175.10 174.56 2vn5 s THR 16 N 1.58 1.06 -0.01 3.92 2.01 0.17 -0.99 115.64 123.36 2vn5 s THR 16 Ca 0.03 -0.34 -0.26 0.00 0.31 0.00 0.00 61.69 61.42 2vn5 s THR 16 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2vn5 s THR 16 CO -0.07 0.36 0.82 -0.69 -0.69 0.00 0.00 174.62 174.35 2vn5 s VAL 17 N 1.39 4.89 0.00 3.82 1.01 0.10 -0.62 120.40 130.99 2vn5 s VAL 17 Ca -0.01 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2vn5 s VAL 17 Cb -0.13 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2vn5 s VAL 17 CO -0.05 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2vn5 n GLY 18 N 2.84 0.62 3.23 4.51 0.00 0.02 -3.31 105.19 113.10 2vn5 n GLY 18 Ca 0.01 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 2vn5 n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vn5 s THR 19 N 0.80 0.06 0.20 2.61 -4.23 -1.26 -2.37 115.64 111.44 2vn5 s THR 19 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 2vn5 s THR 19 Cb 0.00 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.38 2vn5 s THR 19 CO 0.00 0.00 0.61 0.00 -0.54 0.00 0.00 174.62 174.69 2vn5 s ALA 20 N -3.94 -1.36 0.09 3.99 0.00 -1.12 -4.67 121.76 114.75 2vn5 s ALA 20 Ca 0.39 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 2vn5 s ALA 20 Cb 0.06 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2vn5 s ALA 20 CO 0.16 -0.84 0.22 0.54 0.00 0.00 0.00 175.76 175.83 2vn5 s ASN 21 N -2.82 0.07 0.00 0.00 2.20 -1.26 -1.50 114.94 111.63 2vn5 s ASN 21 Ca 0.05 -0.60 0.00 0.00 -0.94 0.00 0.00 52.86 51.37 2vn5 s ASN 21 Cb -0.02 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 2vn5 s ASN 21 CO -0.06 -0.74 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 2vn5 n GLY 22 N -0.06 1.12 3.69 0.45 0.00 -0.80 -4.97 105.19 104.62 2vn5 n GLY 22 Ca -0.15 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 2vn5 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vn5 s LYS 23 N -0.29 2.50 0.09 1.61 -0.14 -1.26 -0.52 119.74 121.73 2vn5 s LYS 23 Ca 0.00 -1.13 -0.36 0.00 -1.36 0.00 0.00 55.97 53.12 2vn5 s LYS 23 Cb 0.00 -2.38 -0.18 0.00 -1.68 0.00 0.00 37.83 33.60 2vn5 s LYS 23 CO 0.00 0.43 1.09 -2.30 -0.76 0.00 0.00 175.35 173.81 2vn5 n PRO 24 N -0.42 0.60 0.00 -1.68 -0.02 -1.26 -1.14 135.00 131.08 2vn5 n PRO 24 Ca -0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2vn5 n PRO 24 Cb 0.56 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2vn5 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vn5 n GLY 25 N 1.94 3.11 3.77 -1.23 0.00 0.70 -4.98 105.19 108.51 2vn5 n GLY 25 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2vn5 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn5 s ASP 26 N -1.13 5.92 -0.19 1.61 1.01 -0.29 -4.71 116.67 118.89 2vn5 s ASP 26 Ca 0.00 2.20 -0.06 0.00 0.71 0.00 0.00 52.55 55.40 2vn5 s ASP 26 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2vn5 s ASP 26 CO 0.00 -1.08 0.02 -0.89 0.21 0.00 0.00 175.17 173.43 2vn5 s THR 27 N -1.71 4.32 0.27 -1.27 2.01 -1.26 -0.14 115.64 117.86 2vn5 s THR 27 Ca 0.69 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.60 2vn5 s THR 27 Cb -0.25 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2vn5 s THR 27 CO 0.29 0.45 -0.17 0.68 -0.69 0.00 0.00 174.62 175.17 2vn5 s VAL 28 N 0.65 2.28 -0.16 3.82 -7.23 0.19 -4.97 120.40 114.97 2vn5 s VAL 28 Ca 0.01 -2.34 -0.00 0.00 -1.81 0.00 0.00 61.98 57.84 2vn5 s VAL 28 Cb -0.14 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 2vn5 s VAL 28 CO 0.02 -0.41 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.36 2vn5 s THR 29 N -2.63 2.71 -0.21 5.32 2.01 -1.26 -1.43 115.64 120.15 2vn5 s THR 29 Ca 0.29 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 2vn5 s THR 29 Cb -0.03 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2vn5 s THR 29 CO 0.13 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 2vn5 s VAL 30 N 0.91 3.64 0.41 3.82 1.01 0.80 -4.66 120.40 126.32 2vn5 s VAL 30 Ca -0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2vn5 s VAL 30 Cb -0.15 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 2vn5 s VAL 30 CO -0.01 0.42 0.76 -2.16 0.00 0.00 0.00 175.10 174.11 2vn5 s PRO 31 N 1.27 3.71 -0.20 2.72 0.04 -1.26 -0.74 135.00 140.54 2vn5 s PRO 31 Ca 0.03 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.46 2vn5 s PRO 31 Cb -0.14 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.03 2vn5 s PRO 31 CO -0.00 -0.06 -0.13 0.08 0.04 0.00 0.00 177.00 176.93 2vn5 s VAL 32 N -2.43 1.83 -0.04 -0.36 1.01 0.45 -0.80 120.40 120.06 2vn5 s VAL 32 Ca 0.50 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2vn5 s VAL 32 Cb -0.10 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2vn5 s VAL 32 CO 0.34 0.26 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2vn5 s THR 33 N 1.33 3.08 -0.05 3.92 2.01 0.21 -0.18 115.64 125.96 2vn5 s THR 33 Ca -0.00 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 2vn5 s THR 33 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2vn5 s THR 33 CO -0.09 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.04 2vn5 s PHE 34 N -0.77 3.14 0.05 4.92 0.40 0.18 -0.66 117.98 125.24 2vn5 s PHE 34 Ca 0.12 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 2vn5 s PHE 34 Cb -0.11 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2vn5 s PHE 34 CO 0.02 0.47 -0.03 0.00 0.70 0.00 0.00 175.22 176.38 2vn5 s ALA 35 N -0.98 0.52 -1.64 5.36 0.00 -0.34 -1.40 121.76 123.28 2vn5 s ALA 35 Ca 0.16 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2vn5 s ALA 35 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2vn5 s ALA 35 CO 0.06 -0.36 0.18 -0.25 0.00 0.00 0.00 175.76 175.39 2vn5 n ASP 36 N 0.12 -5.79 0.32 0.00 8.00 -1.26 -1.76 116.55 116.18 2vn5 n ASP 36 Ca -0.14 -0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.09 2vn5 n ASP 36 Cb 0.61 -4.75 -0.09 0.00 -0.02 0.00 0.00 41.12 36.88 2vn5 n ASP 36 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2vn5 h VAL 37 N -0.42 0.36 -0.70 2.53 2.07 -1.89 -2.41 116.25 115.79 2vn5 h VAL 37 Ca -0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2vn5 h VAL 37 Cb 1.35 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2vn5 h VAL 37 CO 0.56 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.57 2vn5 h ALA 38 N -0.41 1.43 -0.26 1.67 0.00 -1.91 -0.80 119.26 118.98 2vn5 h ALA 38 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2vn5 h ALA 38 Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2vn5 h ALA 38 CO 0.09 0.50 0.17 -0.22 0.00 0.00 0.00 179.25 179.79 2vn5 h LYS 39 N 0.96 0.32 -0.63 0.00 3.64 -1.93 0.25 116.57 119.19 2vn5 h LYS 39 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2vn5 h LYS 39 Cb -0.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2vn5 h LYS 39 CO -0.05 0.21 0.00 -1.33 -2.27 0.00 0.00 179.45 176.01 2vn5 n MET 40 N -4.50 3.19 -2.63 1.90 2.81 -0.67 -4.86 117.12 112.36 2vn5 n MET 40 Ca 0.01 -2.30 -0.09 0.00 -1.81 0.00 0.00 57.70 53.52 2vn5 n MET 40 Cb 0.08 -1.77 0.02 0.00 -0.71 0.00 0.00 33.22 30.84 2vn5 n MET 40 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2vn5 n LYS 41 N 0.88 -2.11 -0.87 0.03 4.76 0.08 -4.75 118.16 116.17 2vn5 n LYS 41 Ca 0.21 0.34 0.11 0.00 -2.87 0.00 0.00 58.31 56.09 2vn5 n LYS 41 Cb 0.74 -3.97 -0.05 0.00 -1.84 0.00 0.00 35.03 29.91 2vn5 n LYS 41 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2vn5 n ASN 42 N 0.07 -5.08 -4.11 4.39 3.02 -0.40 -0.37 115.26 112.78 2vn5 n ASN 42 Ca -0.03 0.72 -0.33 0.00 -0.03 0.00 0.00 54.58 54.91 2vn5 n ASN 42 Cb 0.54 -2.89 -0.16 0.00 -0.61 0.00 0.00 39.78 36.66 2vn5 n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vn5 s VAL 43 N -3.12 2.02 -0.15 2.41 1.01 -0.41 -2.10 120.40 120.07 2vn5 s VAL 43 Ca 0.00 -0.92 0.18 0.00 0.00 0.00 0.00 61.98 61.24 2vn5 s VAL 43 Cb 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 36.38 34.30 2vn5 s VAL 43 CO 0.00 0.53 0.27 0.61 0.00 0.00 0.00 175.10 176.52 2vn5 n GLY 44 N 4.62 -1.02 3.44 4.51 0.00 -0.24 -1.32 105.19 115.18 2vn5 n GLY 44 Ca -0.21 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 2vn5 n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vn5 s THR 45 N -2.69 0.02 -0.04 2.61 -1.32 -1.16 -1.33 115.64 111.73 2vn5 s THR 45 Ca -0.08 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 59.97 2vn5 s THR 45 Cb 0.08 -0.94 0.09 0.00 -1.51 0.00 0.00 72.50 70.22 2vn5 s THR 45 CO 0.84 -0.08 0.81 0.00 -2.21 0.00 0.00 174.62 173.98 2vn5 s ASN 47 N -1.71 0.02 0.29 0.00 4.22 -0.30 -0.92 114.94 116.55 2vn5 s ASN 47 Ca -0.03 -0.06 -0.20 0.00 -2.14 0.00 0.00 52.86 50.44 2vn5 s ASN 47 Cb -0.01 0.12 0.02 0.00 1.28 0.00 0.00 41.25 42.67 2vn5 s ASN 47 CO -0.00 -0.12 0.72 0.72 -2.04 0.00 0.00 177.10 176.37 2vn5 s PHE 48 N -0.46 -0.14 -0.03 1.54 -0.12 -1.05 -2.01 117.98 115.71 2vn5 s PHE 48 Ca -0.05 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 2vn5 s PHE 48 Cb -0.03 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.09 2vn5 s PHE 48 CO 0.00 -1.27 0.00 0.71 -0.05 0.00 0.00 175.22 174.61 2vn5 s TYR 49 N -3.74 0.36 -0.01 3.49 2.02 -1.26 -1.47 117.35 116.74 2vn5 s TYR 49 Ca 0.12 -0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 2vn5 s TYR 49 Cb -0.06 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.01 2vn5 s TYR 49 CO 0.08 -0.15 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.30 2vn5 s LEU 50 N 1.16 3.02 0.04 -1.29 1.43 0.10 -0.49 118.68 122.66 2vn5 s LEU 50 Ca -0.08 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2vn5 s LEU 50 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2vn5 s LEU 50 CO -0.02 0.30 0.08 -0.83 0.23 0.00 0.00 176.35 176.10 2vn5 s GLY 51 N -1.26 2.01 0.09 -3.19 0.00 0.16 -0.47 107.32 104.66 2vn5 s GLY 51 Ca 0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 2vn5 s GLY 51 CO 0.05 -0.88 0.19 -2.52 0.00 0.00 0.00 173.10 169.94 2vn5 s TYR 52 N -1.29 0.15 -0.54 1.90 -0.85 -0.69 -1.02 117.35 115.01 2vn5 s TYR 52 Ca 0.26 -0.58 -0.27 0.00 -0.52 0.00 0.00 57.07 55.97 2vn5 s TYR 52 Cb -0.12 -0.06 0.03 0.00 0.38 0.00 0.00 41.96 42.19 2vn5 s TYR 52 CO 0.18 -0.54 1.07 0.34 -1.52 0.00 0.00 175.55 175.08 2vn5 s ASP 53 N -2.84 6.44 0.00 -0.18 -1.08 -1.26 -4.49 116.67 113.25 2vn5 s ASP 53 Ca 0.05 -0.00 0.21 0.00 -0.52 0.00 0.00 52.55 52.28 2vn5 s ASP 53 Cb 0.05 -2.50 0.99 0.00 -1.46 0.00 0.00 42.92 39.99 2vn5 s ASP 53 CO -0.11 -1.32 1.66 0.00 0.52 0.00 0.00 175.17 175.92 2vn5 n ALA 54 N 7.90 2.03 0.96 3.66 0.00 -1.26 -1.25 120.51 132.55 2vn5 n ALA 54 Ca 0.06 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2vn5 n ALA 54 Cb 0.48 -1.33 0.36 0.00 0.00 0.00 0.00 19.45 18.96 2vn5 n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vn5 n SER 55 N -1.36 0.37 -0.00 0.00 3.41 -1.26 -4.23 113.62 110.55 2vn5 n SER 55 Ca 0.08 0.02 -0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2vn5 n SER 55 Cb 0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 2vn5 n SER 55 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vn5 n LEU 56 N -1.56 0.00 -4.06 1.04 4.32 -0.39 -4.80 117.00 111.55 2vn5 n LEU 56 Ca 0.06 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.84 2vn5 n LEU 56 Cb 0.35 0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 42.01 2vn5 n LEU 56 CO 0.33 0.01 -0.46 -0.76 -1.22 0.00 0.00 177.39 175.29 2vn5 s LEU 57 N -3.68 1.95 -0.10 2.23 1.43 -0.38 -1.26 118.68 118.87 2vn5 s LEU 57 Ca -0.00 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2vn5 s LEU 57 Cb 0.00 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 2vn5 s LEU 57 CO 0.04 0.13 -0.21 -1.83 0.23 0.00 0.00 176.35 174.70 2vn5 s GLU 58 N -0.12 3.03 0.01 1.70 -1.05 -0.88 -4.24 118.70 117.14 2vn5 s GLU 58 Ca 0.02 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.70 2vn5 s GLU 58 Cb -0.06 -2.36 -0.04 0.00 -0.44 0.00 0.00 34.13 31.23 2vn5 s GLU 58 CO 0.00 0.24 1.04 0.14 0.95 0.00 0.00 175.26 177.63 2vn5 s VAL 59 N 0.22 4.65 -0.17 1.83 -7.23 -1.26 -0.71 120.40 117.73 2vn5 s VAL 59 Ca -0.13 1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 61.82 2vn5 s VAL 59 Cb -0.17 -4.22 -0.22 0.00 0.56 0.00 0.00 36.38 32.33 2vn5 s VAL 59 CO 0.07 0.14 0.25 0.52 -0.31 0.00 0.00 175.10 175.76 2vn5 n VAL 60 N 3.95 1.66 -3.47 1.32 0.31 0.91 -4.93 118.33 118.09 2vn5 n VAL 60 Ca 0.07 -0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 63.89 2vn5 n VAL 60 Cb 0.50 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 2vn5 n VAL 60 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2vn5 s SER 61 N -6.97 -0.50 -0.06 4.52 1.04 -1.15 -5.00 113.70 105.58 2vn5 s SER 61 Ca -0.26 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2vn5 s SER 61 Cb 0.07 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2vn5 s SER 61 CO 0.68 -0.77 -0.04 -0.69 0.98 0.00 0.00 173.24 173.39 2vn5 s VAL 62 N -3.12 0.58 -0.01 5.02 1.01 -1.26 -0.55 120.40 122.07 2vn5 s VAL 62 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2vn5 s VAL 62 Cb -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2vn5 s VAL 62 CO -0.08 0.25 -0.10 -1.81 0.00 0.00 0.00 175.10 173.36 2vn5 s ASP 63 N 1.22 1.22 0.49 3.32 1.01 -0.57 -4.96 116.67 118.40 2vn5 s ASP 63 Ca -0.06 -0.19 -0.24 0.00 0.71 0.00 0.00 52.55 52.77 2vn5 s ASP 63 Cb -0.14 -0.14 -0.07 0.00 1.01 0.00 0.00 42.92 43.59 2vn5 s ASP 63 CO -0.02 0.13 1.39 0.00 0.21 0.00 0.00 175.17 176.88 2vn5 n ALA 64 N 2.81 1.78 -1.98 5.23 0.00 -1.26 -0.31 120.51 126.78 2vn5 n ALA 64 Ca -0.14 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 2vn5 n ALA 64 Cb 0.56 -2.37 0.12 0.00 0.00 0.00 0.00 19.45 17.77 2vn5 n ALA 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vn5 s GLY 65 N -0.67 1.76 0.55 0.00 0.00 0.10 -4.69 107.32 104.37 2vn5 s GLY 65 Ca 0.66 -1.65 0.26 0.00 0.00 0.00 0.00 44.72 43.99 2vn5 s GLY 65 CO 0.54 -1.05 2.02 -2.55 0.00 0.00 0.00 173.10 172.06 2vn5 h PRO 66 N -0.72 0.00 0.00 2.90 0.11 -1.83 -1.82 132.00 130.64 2vn5 h PRO 66 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2vn5 h PRO 66 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2vn5 h PRO 66 CO 0.40 0.00 0.00 -0.84 -0.21 0.00 0.00 178.00 177.35 2vn5 h ILE 67 N 0.00 0.00 -3.52 4.15 3.07 -1.89 -3.43 117.51 115.89 2vn5 h ILE 67 Ca 0.19 -0.46 -0.62 0.00 1.55 0.00 0.00 64.86 65.52 2vn5 h ILE 67 Cb 0.85 1.42 -0.12 0.00 -0.27 0.00 0.00 36.82 38.69 2vn5 h ILE 67 CO -0.00 0.00 0.18 -0.69 -1.05 0.00 0.00 178.15 176.59 2vn5 s VAL 68 N -3.15 4.91 0.09 0.16 1.01 -0.69 -4.62 120.40 118.12 2vn5 s VAL 68 Ca 0.09 0.88 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 2vn5 s VAL 68 Cb 0.11 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2vn5 s VAL 68 CO 0.57 -0.17 0.62 -0.54 0.00 0.00 0.00 175.10 175.57 2vn5 s LYS 69 N 2.67 4.29 -1.19 2.72 1.02 -1.26 -4.23 119.74 123.76 2vn5 s LYS 69 Ca 0.26 0.84 -0.11 0.00 0.02 0.00 0.00 55.97 56.98 2vn5 s LYS 69 Cb -0.15 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2vn5 s LYS 69 CO 0.12 0.62 0.76 -1.71 -0.92 0.00 0.00 175.35 174.23 2vn5 n ASN 70 N 1.69 -3.98 -0.10 2.83 5.15 -1.26 -4.69 115.26 114.90 2vn5 n ASN 70 Ca -0.09 -0.91 -0.01 0.00 -0.60 0.00 0.00 54.58 52.97 2vn5 n ASN 70 Cb 0.50 -3.86 0.24 0.00 -0.53 0.00 0.00 39.78 36.13 2vn5 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vn5 h ALA 71 N 0.68 1.32 -0.90 5.20 0.00 -1.95 -0.22 119.26 123.39 2vn5 h ALA 71 Ca -0.64 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.28 2vn5 h ALA 71 Cb 1.35 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2vn5 h ALA 71 CO 0.51 0.49 0.59 0.00 0.00 0.00 0.00 179.25 180.83 2vn5 h ALA 72 N 1.44 2.02 0.10 0.00 0.00 -1.90 -0.70 119.26 120.22 2vn5 h ALA 72 Ca 0.17 0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 2vn5 h ALA 72 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2vn5 h ALA 72 CO -0.01 -0.30 -2.00 0.28 0.00 0.00 0.00 179.25 177.23 2vn5 n VAL 73 N -4.55 1.73 0.53 0.00 0.31 -0.95 -4.65 118.33 110.74 2vn5 n VAL 73 Ca 0.19 -0.59 0.11 0.00 -0.01 0.00 0.00 64.34 64.05 2vn5 n VAL 73 Cb 0.60 -1.73 0.05 0.00 -0.91 0.00 0.00 33.84 31.85 2vn5 n VAL 73 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2vn5 n ASN 74 N -3.56 0.63 -4.24 4.52 3.02 -0.13 -4.90 115.26 110.59 2vn5 n ASN 74 Ca -0.34 -0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 53.78 2vn5 n ASN 74 Cb 1.01 0.68 -0.17 0.00 -0.61 0.00 0.00 39.78 40.69 2vn5 n ASN 74 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2vn5 s PHE 75 N -3.21 2.41 0.06 3.10 5.36 -0.28 -1.29 117.98 124.13 2vn5 s PHE 75 Ca 0.04 -0.79 0.01 0.00 -0.96 0.00 0.00 56.93 55.23 2vn5 s PHE 75 Cb 0.14 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.20 2vn5 s PHE 75 CO 0.79 -0.27 -0.06 -1.12 -1.46 0.00 0.00 175.22 173.10 2vn5 s SER 76 N -0.01 0.77 0.17 6.13 0.01 0.29 -4.76 113.70 116.30 2vn5 s SER 76 Ca -0.08 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 2vn5 s SER 76 Cb -0.15 0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.20 2vn5 s SER 76 CO 0.05 -0.36 0.46 -0.94 0.41 0.00 0.00 173.24 172.86 2vn5 s SER 77 N -2.21 -0.23 -0.05 2.44 1.04 -1.26 -1.26 113.70 112.17 2vn5 s SER 77 Ca -0.02 -0.46 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 2vn5 s SER 77 Cb -0.03 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2vn5 s SER 77 CO -0.03 -0.97 0.43 -0.55 0.98 0.00 0.00 173.24 173.09 2vn5 s SER 78 N -2.86 -0.36 -0.03 7.02 0.15 -0.66 -4.97 113.70 111.99 2vn5 s SER 78 Ca 0.08 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2vn5 s SER 78 Cb 0.00 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 2vn5 s SER 78 CO -0.06 -0.43 -0.04 0.00 1.20 0.00 0.00 173.24 173.91 2vn5 s ALA 79 N -0.99 0.58 -0.20 5.45 0.00 -1.26 -0.01 121.76 125.33 2vn5 s ALA 79 Ca -0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 2vn5 s ALA 79 Cb -0.04 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.82 2vn5 s ALA 79 CO 0.05 0.01 0.45 0.45 0.00 0.00 0.00 175.76 176.72 2vn5 s SER 80 N 0.73 -0.44 -1.29 0.00 0.15 -0.11 -5.00 113.70 107.73 2vn5 s SER 80 Ca -0.09 1.05 -0.23 0.00 0.70 0.00 0.00 55.95 57.38 2vn5 s SER 80 Cb -0.12 1.29 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 2vn5 s SER 80 CO -0.00 -0.22 0.54 -3.20 1.20 0.00 0.00 173.24 171.55 2vn5 n ASN 81 N 5.04 -2.93 0.00 5.45 4.05 -1.26 -1.45 115.26 124.16 2vn5 n ASN 81 Ca -0.13 -1.23 0.00 0.00 0.45 0.00 0.00 54.58 53.67 2vn5 n ASN 81 Cb 0.51 -2.03 0.00 0.00 1.23 0.00 0.00 39.78 39.49 2vn5 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2vn5 n GLY 82 N -2.13 0.68 3.09 8.20 0.00 -1.26 -4.93 105.19 108.84 2vn5 n GLY 82 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2vn5 n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn5 s THR 83 N -2.60 1.23 -0.13 2.61 2.01 -0.53 -1.71 115.64 116.52 2vn5 s THR 83 Ca 0.00 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2vn5 s THR 83 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2vn5 s THR 83 CO 0.00 0.36 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.52 2vn5 s ILE 84 N 0.09 2.87 -0.02 1.82 1.01 0.38 -0.94 121.20 126.41 2vn5 s ILE 84 Ca -0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 2vn5 s ILE 84 Cb -0.11 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2vn5 s ILE 84 CO 0.02 0.52 0.06 -0.44 0.00 0.00 0.00 174.94 175.10 2vn5 s SER 85 N 0.48 5.60 0.01 3.58 0.01 0.99 -0.72 113.70 123.65 2vn5 s SER 85 Ca -0.10 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2vn5 s SER 85 Cb -0.16 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 2vn5 s SER 85 CO 0.05 0.30 -0.11 -0.36 0.41 0.00 0.00 173.24 173.53 2vn5 s PHE 86 N -1.13 0.96 -0.10 2.43 0.08 -0.54 -1.65 117.98 118.03 2vn5 s PHE 86 Ca 0.21 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 2vn5 s PHE 86 Cb -0.12 -0.60 0.05 0.00 -0.57 0.00 0.00 43.02 41.79 2vn5 s PHE 86 CO 0.11 -0.01 0.20 -1.17 -0.10 0.00 0.00 175.22 174.26 2vn5 s LEU 87 N -0.63 0.01 -0.02 -0.37 2.96 -0.39 -2.52 118.68 117.72 2vn5 s LEU 87 Ca 0.02 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.44 2vn5 s LEU 87 Cb -0.06 0.49 -0.02 0.00 0.50 0.00 0.00 46.19 47.11 2vn5 s LEU 87 CO 0.00 -0.22 -0.22 0.12 -1.32 0.00 0.00 176.35 174.71 2vn5 s PHE 88 N 2.06 1.96 -0.11 5.38 5.36 -0.09 -0.54 117.98 132.00 2vn5 s PHE 88 Ca -0.01 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.51 2vn5 s PHE 88 Cb -0.12 -1.27 0.04 0.00 -0.34 0.00 0.00 43.02 41.34 2vn5 s PHE 88 CO -0.07 -0.05 0.26 -1.17 -1.46 0.00 0.00 175.22 172.73 2vn5 s LEU 89 N -0.46 0.48 -0.61 6.12 2.96 -0.41 -1.12 118.68 125.64 2vn5 s LEU 89 Ca 0.07 0.55 -0.27 0.00 -0.22 0.00 0.00 54.13 54.26 2vn5 s LEU 89 Cb -0.09 0.80 -0.02 0.00 0.50 0.00 0.00 46.19 47.38 2vn5 s LEU 89 CO -0.00 -0.15 1.85 -0.62 -1.32 0.00 0.00 176.35 176.10 2vn5 s ASP 90 N 1.08 5.31 0.37 3.68 -1.08 -0.44 -4.45 116.67 121.13 2vn5 s ASP 90 Ca -0.08 0.35 0.27 0.00 -0.52 0.00 0.00 52.55 52.57 2vn5 s ASP 90 Cb -0.09 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 40.03 2vn5 s ASP 90 CO -0.07 -2.35 1.82 0.78 0.52 0.00 0.00 175.17 175.86 2vn5 h ASN 91 N 14.80 0.00 0.77 -0.34 2.35 -1.91 0.51 115.58 131.77 2vn5 h ASN 91 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2vn5 h ASN 91 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2vn5 h ASN 91 CO 1.21 0.00 -0.02 0.35 -1.65 0.00 0.00 177.43 177.32 2vn5 n THR 92 N -2.52 0.00 0.00 2.81 -2.24 -1.26 -4.95 114.28 106.12 2vn5 n THR 92 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2vn5 n THR 92 Cb 0.22 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2vn5 n THR 92 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2vn5 n ILE 93 N -1.39 0.00 0.00 2.28 2.08 0.17 -4.15 119.36 118.36 2vn5 n ILE 93 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 2vn5 n ILE 93 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 2vn5 n ILE 93 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2vn5 n THR 94 N 0.00 0.00 0.68 1.39 -2.24 -1.26 -4.89 114.28 107.96 2vn5 n THR 94 Ca 0.00 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 2vn5 n THR 94 Cb 0.00 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 2vn5 n THR 94 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2vn5 n ASP 95 N -1.38 0.80 -2.51 3.42 8.00 -1.26 -4.51 116.55 119.11 2vn5 n ASP 95 Ca 0.00 -0.79 -0.12 0.00 0.71 0.00 0.00 54.79 54.60 2vn5 n ASP 95 Cb 0.00 1.08 0.03 0.00 -0.02 0.00 0.00 41.12 42.21 2vn5 n ASP 95 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vn5 n GLU 96 N -1.45 2.44 -1.67 -1.24 1.02 -1.26 -5.09 120.64 113.38 2vn5 n GLU 96 Ca 0.02 -3.79 -0.32 0.00 -0.02 0.00 0.00 57.16 53.06 2vn5 n GLU 96 Cb 0.27 -1.84 0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2vn5 n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vn5 s LEU 97 N -3.63 3.26 -0.26 -4.62 1.43 -1.26 -4.52 118.68 109.08 2vn5 s LEU 97 Ca 0.37 1.78 -0.29 0.00 -1.03 0.00 0.00 54.13 54.96 2vn5 s LEU 97 Cb 0.38 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 42.08 2vn5 s LEU 97 CO -0.02 -1.51 1.13 -0.63 0.23 0.00 0.00 176.35 175.54 2vn5 s ILE 98 N -2.73 4.48 0.00 -0.59 1.01 -0.43 -4.77 121.20 118.16 2vn5 s ILE 98 Ca 0.62 1.75 0.00 0.00 0.00 0.00 0.00 60.65 63.01 2vn5 s ILE 98 Cb -0.16 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2vn5 s ILE 98 CO 0.48 -0.32 0.01 0.35 0.00 0.00 0.00 174.94 175.46 2vn5 n THR 99 N 5.64 0.00 -4.54 2.92 -2.24 -1.26 -1.29 114.28 113.50 2vn5 n THR 99 Ca 0.13 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 2vn5 n THR 99 Cb 0.46 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 2vn5 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vn5 s ALA 100 N -0.71 2.39 0.40 6.98 0.00 -1.26 -4.21 121.76 125.34 2vn5 s ALA 100 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 2vn5 s ALA 100 Cb 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 2vn5 s ALA 100 CO 0.00 0.55 1.21 -0.51 0.00 0.00 0.00 175.76 177.01 2vn5 s ASP 101 N -1.80 6.47 0.00 0.00 1.11 -1.26 -4.86 116.67 116.32 2vn5 s ASP 101 Ca 0.14 2.45 0.00 0.00 0.18 0.00 0.00 52.55 55.32 2vn5 s ASP 101 Cb -0.10 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2vn5 s ASP 101 CO 0.05 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.29 2vn5 n GLY 102 N 0.67 0.01 3.63 0.21 0.00 -0.49 -4.96 105.19 104.25 2vn5 n GLY 102 Ca 0.04 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 2vn5 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vn5 s VAL 103 N -3.18 4.69 0.04 1.61 1.01 -1.26 -0.65 120.40 122.66 2vn5 s VAL 103 Ca 0.00 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.42 2vn5 s VAL 103 Cb 0.00 -4.25 -0.32 0.00 0.00 0.00 0.00 36.38 31.80 2vn5 s VAL 103 CO 0.00 -0.29 1.03 0.15 0.00 0.00 0.00 175.10 175.99 2vn5 h PHE 104 N 7.95 0.76 -3.00 5.22 3.57 -0.90 -2.94 116.94 127.61 2vn5 h PHE 104 Ca -0.22 -0.55 -0.08 0.00 3.53 0.00 0.00 57.97 60.65 2vn5 h PHE 104 Cb 1.08 -0.03 -0.17 0.00 2.79 0.00 0.00 35.95 39.62 2vn5 h PHE 104 CO 0.79 1.45 -0.10 0.00 -2.23 0.00 0.00 178.31 178.22 2vn5 s ALA 105 N -2.62 -1.03 -0.13 2.41 0.00 -0.99 0.01 121.76 119.40 2vn5 s ALA 105 Ca -0.07 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.24 2vn5 s ALA 105 Cb 0.05 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.52 2vn5 s ALA 105 CO 0.91 -0.45 -0.16 -0.80 0.00 0.00 0.00 175.76 175.26 2vn5 s ASN 106 N -1.96 2.68 -0.19 0.00 0.01 0.58 -0.41 114.94 115.65 2vn5 s ASN 106 Ca -0.06 -0.49 -0.08 0.00 -0.71 0.00 0.00 52.86 51.52 2vn5 s ASN 106 Cb -0.01 -1.21 -0.04 0.00 0.41 0.00 0.00 41.25 40.40 2vn5 s ASN 106 CO -0.02 0.00 0.09 -0.63 -1.51 0.00 0.00 177.10 175.04 2vn5 s ILE 107 N 1.13 5.02 -0.25 0.60 1.01 0.08 -1.52 121.20 127.27 2vn5 s ILE 107 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 2vn5 s ILE 107 Cb -0.14 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2vn5 s ILE 107 CO -0.05 0.45 0.09 -0.54 0.00 0.00 0.00 174.94 174.88 2vn5 s LYS 108 N 0.42 3.73 -0.00 2.79 1.02 0.29 -0.14 119.74 127.85 2vn5 s LYS 108 Ca 0.05 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.63 2vn5 s LYS 108 Cb -0.12 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2vn5 s LYS 108 CO -0.00 -0.14 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.14 2vn5 s PHE 109 N 1.52 2.85 -0.16 3.18 0.08 -0.51 -0.06 117.98 124.88 2vn5 s PHE 109 Ca 0.06 -0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 2vn5 s PHE 109 Cb -0.15 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2vn5 s PHE 109 CO 0.05 0.35 0.10 0.21 -0.10 0.00 0.00 175.22 175.82 2vn5 s LYS 110 N -1.33 3.81 -0.00 0.44 2.20 0.11 -0.64 119.74 124.33 2vn5 s LYS 110 Ca 0.16 -0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 55.32 2vn5 s LYS 110 Cb -0.11 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2vn5 s LYS 110 CO 0.06 0.46 0.56 -0.51 -0.36 0.00 0.00 175.35 175.56 2vn5 s LEU 111 N -0.12 4.42 0.56 5.43 1.43 0.80 -2.08 118.68 129.13 2vn5 s LEU 111 Ca 0.09 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2vn5 s LEU 111 Cb -0.12 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.32 2vn5 s LEU 111 CO 0.01 0.14 0.78 -0.54 0.23 0.00 0.00 176.35 176.96 2vn5 s LYS 112 N -0.32 2.33 0.38 1.70 1.02 -0.39 -0.21 119.74 124.25 2vn5 s LYS 112 Ca 0.30 -1.51 -0.25 0.00 0.02 0.00 0.00 55.97 54.52 2vn5 s LYS 112 Cb -0.18 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 2vn5 s LYS 112 CO 0.16 -0.83 1.06 0.45 -0.92 0.00 0.00 175.35 175.28 2vn5 s SER 113 N -4.62 6.84 0.03 2.83 0.15 -1.26 -4.42 113.70 113.25 2vn5 s SER 113 Ca 0.61 2.08 -0.05 0.00 0.70 0.00 0.00 55.95 59.29 2vn5 s SER 113 Cb -0.06 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2vn5 s SER 113 CO 0.39 -0.43 0.08 0.68 1.20 0.00 0.00 173.24 175.15 2vn5 s VAL 114 N -1.57 0.13 -0.14 4.45 -7.23 -1.26 -4.97 120.40 109.82 2vn5 s VAL 114 Ca 0.55 -1.08 0.20 0.00 -1.81 0.00 0.00 61.98 59.84 2vn5 s VAL 114 Cb -0.24 -0.83 -0.16 0.00 0.56 0.00 0.00 36.38 35.71 2vn5 s VAL 114 CO 0.30 -0.59 0.71 0.35 -0.31 0.00 0.00 175.10 175.56 2vn5 n THR 115 N 0.86 0.79 -4.07 5.32 -2.24 -1.26 -4.74 114.28 108.94 2vn5 n THR 115 Ca -0.19 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 2vn5 n THR 115 Cb 0.58 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 2vn5 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vn5 s ALA 116 N -3.13 0.53 0.11 6.98 0.00 -1.26 -4.92 121.76 120.07 2vn5 s ALA 116 Ca -0.04 -0.93 -0.35 0.00 0.00 0.00 0.00 51.96 50.64 2vn5 s ALA 116 Cb 0.10 0.14 -0.15 0.00 0.00 0.00 0.00 23.12 23.21 2vn5 s ALA 116 CO 0.83 -0.17 1.53 1.17 0.00 0.00 0.00 175.76 179.12 2vn5 n LYS 117 N 0.92 1.81 -3.95 0.00 4.81 -1.26 -4.75 118.16 115.75 2vn5 n LYS 117 Ca -0.19 0.65 -0.15 0.00 -0.87 0.00 0.00 58.31 57.75 2vn5 n LYS 117 Cb 0.57 -2.39 -0.15 0.00 0.02 0.00 0.00 35.03 33.08 2vn5 n LYS 117 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2vn5 s THR 118 N 1.08 0.16 -0.25 3.15 2.01 0.17 -4.98 115.64 116.98 2vn5 s THR 118 Ca 0.82 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.76 2vn5 s THR 118 Cb -0.78 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2vn5 s THR 118 CO 0.42 0.10 0.08 -0.89 -0.69 0.00 0.00 174.62 173.64 2vn5 s THR 119 N 0.54 4.39 -0.06 -0.82 2.01 -1.26 0.01 115.64 120.46 2vn5 s THR 119 Ca -0.05 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 61.85 2vn5 s THR 119 Cb -0.08 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 2vn5 s THR 119 CO -0.01 0.34 -0.21 0.28 -0.69 0.00 0.00 174.62 174.33 2vn5 s THR 120 N 1.53 2.44 0.41 -0.82 -1.32 -0.11 -4.97 115.64 112.81 2vn5 s THR 120 Ca 0.06 -0.94 -0.20 0.00 -1.21 0.00 0.00 61.69 59.41 2vn5 s THR 120 Cb -0.15 -1.92 -0.11 0.00 -1.51 0.00 0.00 72.50 68.82 2vn5 s THR 120 CO 0.04 0.57 0.91 -2.16 -2.21 0.00 0.00 174.62 171.77 2vn5 s PRO 121 N -0.35 4.18 -0.25 7.08 0.04 -1.26 -1.50 135.00 142.94 2vn5 s PRO 121 Ca 0.02 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2vn5 s PRO 121 Cb -0.12 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2vn5 s PRO 121 CO 0.02 0.00 -0.09 0.08 0.04 0.00 0.00 177.00 177.05 2vn5 s VAL 122 N -2.15 2.50 0.22 -0.36 1.01 0.22 -4.34 120.40 117.49 2vn5 s VAL 122 Ca 0.60 -1.29 0.11 0.00 0.00 0.00 0.00 61.98 61.40 2vn5 s VAL 122 Cb -0.09 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2vn5 s VAL 122 CO 0.14 0.12 -0.20 0.42 0.00 0.00 0.00 175.10 175.59 2vn5 s THR 123 N 1.23 2.54 -0.04 3.92 -4.23 -0.19 -0.56 115.64 118.31 2vn5 s THR 123 Ca -0.03 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.10 2vn5 s THR 123 Cb -0.18 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2vn5 s THR 123 CO -0.06 -0.21 0.97 -0.36 -0.54 0.00 0.00 174.62 174.43 2vn5 s PHE 124 N -1.94 3.60 0.30 3.99 0.08 -1.26 0.38 117.98 123.13 2vn5 s PHE 124 Ca 0.24 1.63 -0.00 0.00 0.12 0.00 0.00 56.93 58.92 2vn5 s PHE 124 Cb -0.07 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 2vn5 s PHE 124 CO 0.12 -0.09 0.51 0.15 -0.10 0.00 0.00 175.22 175.82 2vn5 s LYS 125 N 1.38 3.51 0.20 0.44 1.02 0.36 -4.85 119.74 121.80 2vn5 s LYS 125 Ca 0.50 -0.30 -0.32 0.00 0.02 0.00 0.00 55.97 55.87 2vn5 s LYS 125 Cb -0.20 -2.70 -0.11 0.00 -0.52 0.00 0.00 37.83 34.30 2vn5 s LYS 125 CO 0.24 0.22 1.67 0.34 -0.92 0.00 0.00 175.35 176.90 2vn5 s ASP 126 N -3.72 6.44 0.00 2.83 2.15 -1.26 -4.54 116.67 118.56 2vn5 s ASP 126 Ca 0.40 2.81 0.00 0.00 0.43 0.00 0.00 52.55 56.19 2vn5 s ASP 126 Cb -0.10 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2vn5 s ASP 126 CO 0.33 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 175.01 2vn5 n GLY 127 N 3.81 4.53 0.00 2.66 0.00 -1.26 -4.95 105.19 109.99 2vn5 n GLY 127 Ca 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2vn5 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn5 n GLY 128 N -1.98 -0.06 3.58 -0.02 0.00 -1.26 -4.49 105.19 100.95 2vn5 n GLY 128 Ca 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2vn5 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn5 s ALA 129 N -1.08 -1.36 -0.04 4.61 0.00 -0.85 -4.97 121.76 118.07 2vn5 s ALA 129 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2vn5 s ALA 129 Cb 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 2vn5 s ALA 129 CO 0.00 -0.86 -0.18 -0.06 0.00 0.00 0.00 175.76 174.66 2vn5 s PHE 130 N -3.83 1.78 -0.04 0.00 0.08 -1.26 -1.15 117.98 113.57 2vn5 s PHE 130 Ca 0.06 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.64 2vn5 s PHE 130 Cb -0.03 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2vn5 s PHE 130 CO -0.05 -0.17 -0.15 0.20 -0.10 0.00 0.00 175.22 174.95 2vn5 s GLY 131 N 0.01 1.53 0.00 4.36 0.00 0.24 -0.65 107.32 112.81 2vn5 s GLY 131 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2vn5 s GLY 131 CO 0.02 -0.82 0.00 2.09 0.00 0.00 0.00 173.10 174.40 2vn5 n ASP 132 N 2.21 0.00 0.00 1.64 5.68 0.61 -1.08 116.55 125.61 2vn5 n ASP 132 Ca -0.17 -0.77 0.02 0.00 -0.50 0.00 0.00 54.79 53.37 2vn5 n ASP 132 Cb 0.52 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.60 2vn5 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vn5 n GLY 133 N 5.00 -0.51 0.31 6.12 0.00 0.50 0.05 105.19 116.66 2vn5 n GLY 133 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.06 2vn5 n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vn5 n THR 134 N -1.38 1.48 -1.45 2.61 -2.24 -1.26 -4.86 114.28 107.19 2vn5 n THR 134 Ca 0.02 -1.52 -0.14 0.00 -2.27 0.00 0.00 64.05 60.13 2vn5 n THR 134 Cb 0.04 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 2vn5 n THR 134 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2vn5 n MET 135 N -0.56 -1.00 -3.48 -0.78 2.81 0.11 -5.01 117.12 109.21 2vn5 n MET 135 Ca 0.11 1.00 -0.33 0.00 -1.81 0.00 0.00 57.70 56.66 2vn5 n MET 135 Cb 0.51 -5.11 -0.05 0.00 -0.71 0.00 0.00 33.22 27.86 2vn5 n MET 135 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2vn5 s SER 136 N -2.83 6.64 0.21 7.83 0.01 -1.26 -4.63 113.70 119.67 2vn5 s SER 136 Ca 0.00 0.87 -0.32 0.00 1.31 0.00 0.00 55.95 57.80 2vn5 s SER 136 Cb 0.00 -2.20 -0.14 0.00 0.21 0.00 0.00 66.02 63.89 2vn5 s SER 136 CO 0.00 0.02 1.49 1.17 0.41 0.00 0.00 173.24 176.33 2vn5 n LYS 137 N 0.23 2.11 -3.12 12.44 4.81 -1.26 -0.28 118.16 133.09 2vn5 n LYS 137 Ca -0.02 0.76 -0.43 0.00 -0.87 0.00 0.00 58.31 57.74 2vn5 n LYS 137 Cb 0.52 -2.47 -0.07 0.00 0.02 0.00 0.00 35.03 33.04 2vn5 n LYS 137 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2vn5 s ILE 138 N 0.36 4.84 0.21 3.15 1.01 0.18 -4.77 121.20 126.18 2vn5 s ILE 138 Ca 0.73 0.13 0.13 0.00 0.00 0.00 0.00 60.65 61.64 2vn5 s ILE 138 Cb -0.66 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 37.65 2vn5 s ILE 138 CO 0.44 -0.57 1.63 0.00 0.00 0.00 0.00 174.94 176.45 2vn5 h ALA 139 N 8.84 0.94 -3.56 9.38 0.00 -1.92 -3.42 119.26 129.53 2vn5 h ALA 139 Ca -0.26 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.49 2vn5 h ALA 139 Cb 1.10 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.46 2vn5 h ALA 139 CO 0.89 0.68 -0.77 -1.12 0.00 0.00 0.00 179.25 178.93 2vn5 s SER 140 N -6.68 4.43 -0.16 0.00 0.01 -1.26 -5.06 113.70 104.97 2vn5 s SER 140 Ca -0.01 -1.18 -0.00 0.00 1.31 0.00 0.00 55.95 56.07 2vn5 s SER 140 Cb 0.12 -1.62 0.04 0.00 0.21 0.00 0.00 66.02 64.77 2vn5 s SER 140 CO 0.74 -0.18 -0.05 -0.69 0.41 0.00 0.00 173.24 173.46 2vn5 s VAL 141 N 1.21 1.10 -0.44 3.43 1.01 -1.26 -1.30 120.40 124.15 2vn5 s VAL 141 Ca -0.05 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2vn5 s VAL 141 Cb -0.19 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2vn5 s VAL 141 CO -0.04 0.15 0.57 -0.89 0.00 0.00 0.00 175.10 174.88 2vn5 s THR 142 N 1.64 4.93 -0.22 3.92 2.01 0.11 -4.96 115.64 123.07 2vn5 s THR 142 Ca 0.01 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 2vn5 s THR 142 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2vn5 s THR 142 CO -0.08 -0.56 0.11 -0.54 -0.69 0.00 0.00 174.62 172.87 2vn5 s LYS 143 N 2.55 4.00 -0.18 4.92 1.02 -1.26 -1.02 119.74 129.77 2vn5 s LYS 143 Ca 0.18 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 2vn5 s LYS 143 Cb -0.16 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2vn5 s LYS 143 CO 0.16 0.14 -0.12 0.99 -0.92 0.00 0.00 175.35 175.60 2vn5 s THR 144 N 0.80 2.85 0.49 2.17 2.01 -0.16 -4.99 115.64 118.80 2vn5 s THR 144 Ca 0.06 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 2vn5 s THR 144 Cb -0.13 -2.24 -0.08 0.00 0.01 0.00 0.00 72.50 70.06 2vn5 s THR 144 CO 0.02 0.49 1.06 0.20 -0.69 0.00 0.00 174.62 175.70 2vn5 s ASN 145 N 1.08 6.23 0.00 3.53 0.01 -1.26 -0.72 114.94 123.80 2vn5 s ASN 145 Ca 0.00 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.15 2vn5 s ASN 145 Cb -0.15 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.95 2vn5 s ASN 145 CO -0.03 -0.86 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 2vn5 n GLY 146 N -0.10 6.83 3.72 0.66 0.00 0.27 -4.68 105.19 111.89 2vn5 n GLY 146 Ca 0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 2vn5 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vn5 s SER 147 N 0.61 -0.14 -0.03 1.61 1.04 -1.00 -0.61 113.70 115.18 2vn5 s SER 147 Ca 0.00 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2vn5 s SER 147 Cb 0.00 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 2vn5 s SER 147 CO 0.00 -0.74 -0.13 -0.69 0.98 0.00 0.00 173.24 172.66 2vn5 s VAL 148 N -3.05 1.11 -0.25 5.02 1.01 -0.56 -2.78 120.40 120.90 2vn5 s VAL 148 Ca 0.13 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2vn5 s VAL 148 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2vn5 s VAL 148 CO 0.01 0.32 0.09 -0.89 0.00 0.00 0.00 175.10 174.63 2vn5 s THR 149 N -0.04 4.52 -0.27 3.92 2.01 -0.56 -0.93 115.64 124.28 2vn5 s THR 149 Ca -0.00 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2vn5 s THR 149 Cb -0.08 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2vn5 s THR 149 CO 0.01 0.34 0.10 -0.63 -0.69 0.00 0.00 174.62 173.75 2vn5 s ILE 150 N 1.52 4.43 -0.27 1.82 1.01 0.10 -1.91 121.20 127.89 2vn5 s ILE 150 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2vn5 s ILE 150 Cb -0.15 -3.15 0.05 0.00 0.01 0.00 0.00 42.46 39.22 2vn5 s ILE 150 CO 0.05 0.23 -0.06 -0.62 0.00 0.00 0.00 174.94 174.53 2vn5 s ASP 151 N 1.61 4.56 0.00 3.58 -1.08 0.32 -0.65 116.67 125.02 2vn5 s ASP 151 Ca 0.06 -1.25 0.31 0.00 -0.52 0.00 0.00 52.55 51.14 2vn5 s ASP 151 Cb -0.16 -1.63 1.83 0.00 -1.46 0.00 0.00 42.92 41.51 2vn5 s ASP 151 CO 0.05 -0.20 2.16 -0.81 0.52 0.00 0.00 175.17 176.88