#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vn6 s VAL 3 N 0.00 1.23 0.40 12.58 -7.23 -1.26 -5.16 120.40 120.96 2vn6 s VAL 3 Ca 0.00 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2vn6 s VAL 3 Cb 0.00 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2vn6 s VAL 3 CO 0.00 -0.45 0.16 -0.76 -0.31 0.00 0.00 175.10 173.74 2vn6 s LEU 4 N -2.45 3.11 0.42 1.32 1.43 -1.26 -5.03 118.68 116.23 2vn6 s LEU 4 Ca 0.08 -1.06 0.11 0.00 -1.03 0.00 0.00 54.13 52.23 2vn6 s LEU 4 Cb -0.04 -1.43 0.96 0.00 0.03 0.00 0.00 46.19 45.70 2vn6 s LEU 4 CO 0.02 -0.51 2.01 -0.65 0.23 0.00 0.00 176.35 177.46 2vn6 h PRO 5 N 1.47 0.45 -0.03 1.29 0.11 -2.02 -0.80 132.00 132.47 2vn6 h PRO 5 Ca -0.43 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2vn6 h PRO 5 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2vn6 h PRO 5 CO 0.70 0.30 0.04 1.57 -0.21 0.00 0.00 178.00 180.40 2vn6 h LYS 6 N 0.47 0.00 0.00 1.05 2.10 -2.03 -1.64 116.57 116.52 2vn6 h LYS 6 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 2vn6 h LYS 6 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2vn6 h LYS 6 CO -0.06 0.00 -0.47 -0.25 -2.00 0.00 0.00 179.45 176.67 2vn6 n ASP 7 N -3.55 0.65 -3.70 7.07 8.00 -0.31 -4.66 116.55 120.04 2vn6 n ASP 7 Ca -0.02 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.35 2vn6 n ASP 7 Cb 0.12 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 2vn6 n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2vn6 s ILE 8 N -3.12 1.32 0.68 0.53 -1.09 -0.62 -5.00 121.20 113.90 2vn6 s ILE 8 Ca 0.08 -2.44 -0.12 0.00 -2.23 0.00 0.00 60.65 55.94 2vn6 s ILE 8 Cb 0.14 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 2vn6 s ILE 8 CO 0.69 -0.88 1.06 -2.16 -1.23 0.00 0.00 174.94 172.42 2vn6 s PRO 9 N 0.47 2.95 0.00 2.79 0.04 -1.26 -4.90 135.00 135.08 2vn6 s PRO 9 Ca 0.17 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2vn6 s PRO 9 Cb -0.24 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2vn6 s PRO 9 CO -0.01 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2vn6 n GLY 10 N -1.62 -0.38 3.70 0.56 0.00 -1.26 -4.96 105.19 101.23 2vn6 n GLY 10 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2vn6 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn6 s ASP 11 N -1.02 7.07 -0.11 1.61 1.01 -1.26 -5.03 116.67 118.94 2vn6 s ASP 11 Ca 0.00 1.94 -0.18 0.00 0.71 0.00 0.00 52.55 55.01 2vn6 s ASP 11 Cb 0.00 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.40 2vn6 s ASP 11 CO 0.00 -0.51 0.46 -0.55 0.21 0.00 0.00 175.17 174.78 2vn6 s SER 12 N 1.24 -0.43 0.04 0.27 0.15 -1.26 -4.60 113.70 109.11 2vn6 s SER 12 Ca 0.58 0.66 -0.30 0.00 0.70 0.00 0.00 55.95 57.58 2vn6 s SER 12 Cb -0.28 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2vn6 s SER 12 CO 0.27 -0.32 1.18 -0.22 1.20 0.00 0.00 173.24 175.34 2vn6 s LEU 13 N -0.45 4.36 -0.24 3.45 2.96 -0.63 -4.77 118.68 123.35 2vn6 s LEU 13 Ca -0.06 1.96 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 2vn6 s LEU 13 Cb -0.03 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2vn6 s LEU 13 CO 0.03 -0.46 0.25 -0.54 -1.32 0.00 0.00 176.35 174.31 2vn6 s LYS 14 N 1.18 4.07 -0.19 1.98 -0.14 -0.54 -0.15 119.74 125.96 2vn6 s LYS 14 Ca 0.58 -0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.07 2vn6 s LYS 14 Cb -0.28 -3.57 0.03 0.00 -1.68 0.00 0.00 37.83 32.34 2vn6 s LYS 14 CO 0.28 -0.03 -0.13 0.08 -0.76 0.00 0.00 175.35 174.79 2vn6 s VAL 15 N 1.33 1.75 -0.10 3.17 1.01 -0.20 -0.82 120.40 126.54 2vn6 s VAL 15 Ca 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2vn6 s VAL 15 Cb -0.14 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.52 2vn6 s VAL 15 CO 0.07 0.29 -0.11 -0.89 0.00 0.00 0.00 175.10 174.46 2vn6 s THR 16 N 1.37 1.18 -0.05 3.92 2.01 -0.33 -1.42 115.64 122.32 2vn6 s THR 16 Ca 0.01 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 2vn6 s THR 16 Cb -0.15 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2vn6 s THR 16 CO -0.09 0.38 0.88 -0.69 -0.69 0.00 0.00 174.62 174.41 2vn6 s VAL 17 N 1.27 4.92 0.00 3.82 1.01 -0.26 -1.10 120.40 130.06 2vn6 s VAL 17 Ca -0.02 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2vn6 s VAL 17 Cb -0.14 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2vn6 s VAL 17 CO -0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2vn6 n GLY 18 N 3.04 -0.80 3.19 4.51 0.00 -0.08 -3.38 105.19 111.68 2vn6 n GLY 18 Ca 0.04 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 2vn6 n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vn6 s THR 19 N -0.20 0.83 0.13 2.61 -4.23 -1.26 -2.50 115.64 111.02 2vn6 s THR 19 Ca 0.00 -1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 58.39 2vn6 s THR 19 Cb 0.00 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.19 2vn6 s THR 19 CO 0.00 -0.82 0.43 0.00 -0.54 0.00 0.00 174.62 173.70 2vn6 s ALA 20 N -3.45 -1.05 0.05 3.99 0.00 -0.91 -4.85 121.76 115.54 2vn6 s ALA 20 Ca 0.12 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.06 2vn6 s ALA 20 Cb 0.04 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2vn6 s ALA 20 CO -0.03 -0.66 0.17 0.54 0.00 0.00 0.00 175.76 175.78 2vn6 s ASN 21 N -2.76 0.09 0.00 0.00 2.20 -1.26 -0.88 114.94 112.33 2vn6 s ASN 21 Ca 0.02 -0.48 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2vn6 s ASN 21 Cb 0.01 0.28 0.00 0.00 -2.00 0.00 0.00 41.25 39.55 2vn6 s ASN 21 CO -0.12 -0.58 0.00 0.61 -2.94 0.00 0.00 177.10 174.07 2vn6 n GLY 22 N 0.54 -1.24 3.76 0.45 0.00 -0.66 -4.96 105.19 103.09 2vn6 n GLY 22 Ca -0.18 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 2vn6 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn6 s LYS 23 N -0.57 2.72 0.09 1.61 -2.85 -1.26 -0.80 119.74 118.68 2vn6 s LYS 23 Ca 0.00 -1.16 -0.36 0.00 -1.00 0.00 0.00 55.97 53.45 2vn6 s LYS 23 Cb 0.00 -2.44 -0.17 0.00 -2.06 0.00 0.00 37.83 33.16 2vn6 s LYS 23 CO 0.00 0.40 1.18 -2.30 0.10 0.00 0.00 175.35 174.73 2vn6 n PRO 24 N -1.03 0.79 0.00 1.78 -0.02 -1.26 -1.58 135.00 133.68 2vn6 n PRO 24 Ca -0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2vn6 n PRO 24 Cb 0.58 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2vn6 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vn6 n GLY 25 N 2.10 3.17 3.76 -1.23 0.00 0.12 -4.99 105.19 108.12 2vn6 n GLY 25 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2vn6 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn6 s ASP 26 N -1.10 5.25 -0.18 1.61 1.01 -0.61 -4.73 116.67 117.91 2vn6 s ASP 26 Ca 0.00 2.21 -0.04 0.00 0.71 0.00 0.00 52.55 55.44 2vn6 s ASP 26 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2vn6 s ASP 26 CO 0.00 -1.55 -0.03 -0.89 0.21 0.00 0.00 175.17 172.91 2vn6 s THR 27 N -1.88 3.75 0.28 -1.27 2.01 -1.26 -0.57 115.64 116.70 2vn6 s THR 27 Ca 0.73 -0.39 0.11 0.00 0.31 0.00 0.00 61.69 62.45 2vn6 s THR 27 Cb -0.25 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 2vn6 s THR 27 CO 0.34 0.46 -0.18 0.68 -0.69 0.00 0.00 174.62 175.24 2vn6 s VAL 28 N 0.75 2.35 -0.14 3.82 -7.23 0.04 -4.96 120.40 115.03 2vn6 s VAL 28 Ca -0.01 -2.36 -0.03 0.00 -1.81 0.00 0.00 61.98 57.77 2vn6 s VAL 28 Cb -0.14 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 2vn6 s VAL 28 CO 0.02 -0.40 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.47 2vn6 s THR 29 N -2.58 3.73 -0.25 5.32 2.01 -1.26 -1.05 115.64 121.55 2vn6 s THR 29 Ca 0.29 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2vn6 s THR 29 Cb -0.03 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.90 2vn6 s THR 29 CO 0.14 0.51 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.81 2vn6 s VAL 30 N 0.20 2.58 0.46 3.82 1.01 0.11 -4.71 120.40 123.87 2vn6 s VAL 30 Ca -0.03 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 2vn6 s VAL 30 Cb -0.14 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 2vn6 s VAL 30 CO 0.03 0.13 0.91 -2.16 0.00 0.00 0.00 175.10 174.01 2vn6 s PRO 31 N 1.24 3.96 -0.23 2.72 0.04 -1.26 -0.84 135.00 140.63 2vn6 s PRO 31 Ca -0.03 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 61.83 2vn6 s PRO 31 Cb -0.18 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.15 2vn6 s PRO 31 CO -0.05 -0.15 -0.07 0.08 0.04 0.00 0.00 177.00 176.85 2vn6 s VAL 32 N -2.45 2.98 -0.07 -0.36 1.01 0.29 -0.90 120.40 120.90 2vn6 s VAL 32 Ca 0.57 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2vn6 s VAL 32 Cb -0.10 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2vn6 s VAL 32 CO 0.27 0.33 -0.13 -0.89 0.00 0.00 0.00 175.10 174.68 2vn6 s THR 33 N 1.38 3.11 -0.10 3.92 2.01 -0.26 -0.29 115.64 125.42 2vn6 s THR 33 Ca 0.03 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 2vn6 s THR 33 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2vn6 s THR 33 CO -0.05 0.58 0.07 -0.36 -0.69 0.00 0.00 174.62 174.17 2vn6 s PHE 34 N -0.52 3.38 0.10 4.92 0.40 0.10 -1.18 117.98 125.18 2vn6 s PHE 34 Ca 0.07 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 2vn6 s PHE 34 Cb -0.12 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 2vn6 s PHE 34 CO 0.02 0.61 -0.07 0.00 0.70 0.00 0.00 175.22 176.47 2vn6 s ALA 35 N -0.98 0.98 -1.36 5.36 0.00 0.00 -1.61 121.76 124.16 2vn6 s ALA 35 Ca 0.15 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 2vn6 s ALA 35 Cb -0.12 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2vn6 s ALA 35 CO 0.04 -0.19 0.15 -0.25 0.00 0.00 0.00 175.76 175.51 2vn6 n ASP 36 N 0.13 -4.99 0.13 0.00 8.00 -1.26 -1.46 116.55 117.10 2vn6 n ASP 36 Ca -0.13 -0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.15 2vn6 n ASP 36 Cb 0.60 -4.02 -0.08 0.00 -0.02 0.00 0.00 41.12 37.61 2vn6 n ASP 36 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2vn6 h VAL 37 N -0.34 0.83 -0.70 2.53 2.07 -1.89 -2.29 116.25 116.46 2vn6 h VAL 37 Ca -0.40 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2vn6 h VAL 37 Cb 1.29 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2vn6 h VAL 37 CO 0.46 0.04 0.17 0.00 0.02 0.00 0.00 177.57 178.26 2vn6 h ALA 38 N 0.42 0.92 -0.87 1.67 0.00 -1.92 -0.42 119.26 119.06 2vn6 h ALA 38 Ca -0.03 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2vn6 h ALA 38 Cb 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2vn6 h ALA 38 CO 0.05 0.63 0.48 -0.22 0.00 0.00 0.00 179.25 180.19 2vn6 h LYS 39 N 1.04 0.69 -0.40 0.00 3.64 -1.95 -1.17 116.57 118.43 2vn6 h LYS 39 Ca 0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2vn6 h LYS 39 Cb 0.36 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2vn6 h LYS 39 CO 0.00 0.45 0.00 -1.33 -2.27 0.00 0.00 179.45 176.31 2vn6 n MET 40 N -4.81 1.84 -2.88 1.90 2.81 -0.87 -4.90 117.12 110.21 2vn6 n MET 40 Ca 0.17 -1.07 -0.10 0.00 -1.81 0.00 0.00 57.70 54.88 2vn6 n MET 40 Cb 0.40 -1.34 0.03 0.00 -0.71 0.00 0.00 33.22 31.60 2vn6 n MET 40 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2vn6 n LYS 41 N 0.32 -3.16 -0.63 0.03 5.02 -0.44 -4.75 118.16 114.55 2vn6 n LYS 41 Ca 0.10 0.37 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 2vn6 n LYS 41 Cb 0.32 -4.04 -0.03 0.00 -0.02 0.00 0.00 35.03 31.26 2vn6 n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vn6 n ASN 42 N -0.39 -3.73 -4.18 4.39 3.02 -0.20 -0.86 115.26 113.30 2vn6 n ASN 42 Ca -0.01 0.47 -0.33 0.00 -0.03 0.00 0.00 54.58 54.67 2vn6 n ASN 42 Cb 0.53 -2.04 -0.16 0.00 -0.61 0.00 0.00 39.78 37.51 2vn6 n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vn6 s VAL 43 N -2.65 2.42 -0.11 2.41 1.01 -0.54 -2.74 120.40 120.21 2vn6 s VAL 43 Ca 0.00 -0.83 0.17 0.00 0.00 0.00 0.00 61.98 61.32 2vn6 s VAL 43 Cb 0.00 -2.03 -0.25 0.00 0.00 0.00 0.00 36.38 34.10 2vn6 s VAL 43 CO 0.00 0.51 0.21 0.61 0.00 0.00 0.00 175.10 176.43 2vn6 n GLY 44 N 4.52 -0.87 3.52 4.51 0.00 -0.01 -1.28 105.19 115.59 2vn6 n GLY 44 Ca -0.20 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2vn6 n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vn6 s THR 45 N -2.80 0.00 0.08 2.61 -1.32 -1.12 -1.92 115.64 111.17 2vn6 s THR 45 Ca -0.08 -0.03 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 2vn6 s THR 45 Cb 0.08 -0.97 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 2vn6 s THR 45 CO 0.75 -0.02 0.58 0.00 -2.21 0.00 0.00 174.62 173.72 2vn6 s ASN 47 N -2.22 -0.24 0.35 0.00 4.22 -0.22 -0.75 114.94 116.08 2vn6 s ASN 47 Ca -0.03 0.46 -0.17 0.00 -2.14 0.00 0.00 52.86 50.98 2vn6 s ASN 47 Cb -0.00 0.46 0.04 0.00 1.28 0.00 0.00 41.25 43.02 2vn6 s ASN 47 CO -0.05 -0.09 0.75 0.72 -2.04 0.00 0.00 177.10 176.39 2vn6 s PHE 48 N 0.21 0.05 -0.01 1.54 -0.12 -0.91 -1.19 117.98 117.56 2vn6 s PHE 48 Ca -0.01 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 2vn6 s PHE 48 Cb -0.02 0.75 0.01 0.00 -0.63 0.00 0.00 43.02 43.12 2vn6 s PHE 48 CO -0.00 -1.44 0.00 0.71 -0.05 0.00 0.00 175.22 174.45 2vn6 s TYR 49 N -2.91 0.03 -0.06 3.49 2.02 -1.25 -1.33 117.35 117.35 2vn6 s TYR 49 Ca 0.15 0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.92 2vn6 s TYR 49 Cb -0.05 -0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2vn6 s TYR 49 CO 0.10 -0.02 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.33 2vn6 s LEU 50 N 0.25 2.28 -0.05 -1.29 1.43 -0.05 -1.57 118.68 119.69 2vn6 s LEU 50 Ca -0.02 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2vn6 s LEU 50 Cb -0.03 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2vn6 s LEU 50 CO -0.01 0.27 0.20 -0.83 0.23 0.00 0.00 176.35 176.22 2vn6 s GLY 51 N -0.29 2.21 0.14 -3.19 0.00 0.17 -0.43 107.32 105.93 2vn6 s GLY 51 Ca 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 2vn6 s GLY 51 CO 0.03 -0.41 0.15 -2.52 0.00 0.00 0.00 173.10 170.35 2vn6 s TYR 52 N -1.18 0.60 -0.57 1.90 -0.85 -0.54 -1.42 117.35 115.29 2vn6 s TYR 52 Ca 0.22 -0.98 -0.21 0.00 -0.52 0.00 0.00 57.07 55.58 2vn6 s TYR 52 Cb -0.13 -0.27 0.07 0.00 0.38 0.00 0.00 41.96 42.02 2vn6 s TYR 52 CO 0.12 -0.60 0.77 0.34 -1.52 0.00 0.00 175.55 174.66 2vn6 s ASP 53 N -2.99 6.22 0.17 -0.18 -1.08 -1.26 -4.65 116.67 112.88 2vn6 s ASP 53 Ca 0.19 -1.01 0.21 0.00 -0.52 0.00 0.00 52.55 51.42 2vn6 s ASP 53 Cb 0.06 -2.34 0.87 0.00 -1.46 0.00 0.00 42.92 40.04 2vn6 s ASP 53 CO -0.01 -1.13 1.64 0.00 0.52 0.00 0.00 175.17 176.20 2vn6 n ALA 54 N 6.75 1.72 0.58 3.66 0.00 -1.26 -1.32 120.51 130.64 2vn6 n ALA 54 Ca -0.06 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2vn6 n ALA 54 Cb 0.45 -1.35 0.43 0.00 0.00 0.00 0.00 19.45 18.98 2vn6 n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vn6 n SER 55 N -1.99 0.75 -0.01 0.00 3.41 -1.26 -4.00 113.62 110.52 2vn6 n SER 55 Ca 0.03 0.60 -0.00 0.00 -0.26 0.00 0.00 58.87 59.23 2vn6 n SER 55 Cb 0.23 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 2vn6 n SER 55 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vn6 n LEU 56 N -2.23 0.00 -4.08 1.04 4.77 -0.52 -4.85 117.00 111.13 2vn6 n LEU 56 Ca 0.05 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2vn6 n LEU 56 Cb 0.38 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 2vn6 n LEU 56 CO 0.27 0.05 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.16 2vn6 s LEU 57 N -3.84 2.02 -0.19 2.23 1.43 -0.43 -1.61 118.68 118.29 2vn6 s LEU 57 Ca -0.01 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2vn6 s LEU 57 Cb 0.01 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 2vn6 s LEU 57 CO 0.14 0.15 0.00 -0.70 0.23 0.00 0.00 176.35 176.17 2vn6 s GLU 58 N -0.27 3.69 -0.18 1.70 2.12 -0.35 -4.33 118.70 121.07 2vn6 s GLU 58 Ca 0.04 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 2vn6 s GLU 58 Cb -0.05 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2vn6 s GLU 58 CO -0.00 0.10 1.25 0.08 -0.54 0.00 0.00 175.26 176.14 2vn6 s VAL 59 N 0.77 4.31 -0.20 3.70 1.01 -1.26 -0.47 120.40 128.26 2vn6 s VAL 59 Ca 0.00 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 2vn6 s VAL 59 Cb -0.14 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 2vn6 s VAL 59 CO 0.02 -0.16 0.09 0.52 0.00 0.00 0.00 175.10 175.58 2vn6 n VAL 60 N 5.42 1.62 -3.46 2.92 0.31 0.11 -4.94 118.33 120.29 2vn6 n VAL 60 Ca 0.14 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 2vn6 n VAL 60 Cb 0.45 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.55 2vn6 n VAL 60 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2vn6 s SER 61 N -6.97 -0.60 -0.09 4.52 1.04 -1.19 -5.01 113.70 105.40 2vn6 s SER 61 Ca -0.29 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 2vn6 s SER 61 Cb 0.08 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.80 2vn6 s SER 61 CO 0.64 -0.82 -0.06 -0.69 0.98 0.00 0.00 173.24 173.30 2vn6 s VAL 62 N -2.68 0.79 0.09 5.02 1.01 -1.26 -0.77 120.40 122.61 2vn6 s VAL 62 Ca -0.04 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2vn6 s VAL 62 Cb -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2vn6 s VAL 62 CO -0.03 0.32 -0.19 -1.81 0.00 0.00 0.00 175.10 173.38 2vn6 s ASP 63 N 1.57 2.30 0.60 3.32 1.01 -0.66 -4.92 116.67 119.89 2vn6 s ASP 63 Ca 0.01 -0.66 -0.19 0.00 0.71 0.00 0.00 52.55 52.42 2vn6 s ASP 63 Cb -0.13 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 2vn6 s ASP 63 CO -0.05 0.03 1.23 0.00 0.21 0.00 0.00 175.17 176.59 2vn6 s ALA 64 N -1.18 2.52 0.69 5.23 0.00 -1.26 -0.56 121.76 127.20 2vn6 s ALA 64 Ca 0.04 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2vn6 s ALA 64 Cb -0.10 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.65 2vn6 s ALA 64 CO 0.04 -1.27 0.95 0.20 0.00 0.00 0.00 175.76 175.68 2vn6 s GLY 65 N -1.51 1.77 0.00 0.00 0.00 0.65 -4.62 107.32 103.59 2vn6 s GLY 65 Ca 0.78 -1.71 0.21 0.00 0.00 0.00 0.00 44.72 44.01 2vn6 s GLY 65 CO 0.35 -1.19 1.68 -1.55 0.00 0.00 0.00 173.10 172.40 2vn6 n PRO 66 N -2.73 0.26 0.03 2.90 -0.04 -1.14 -2.15 135.00 132.13 2vn6 n PRO 66 Ca 0.14 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2vn6 n PRO 66 Cb 0.61 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.10 2vn6 n PRO 66 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2vn6 n ILE 67 N -1.31 0.17 -3.27 0.52 -5.35 -1.20 -4.77 119.36 104.14 2vn6 n ILE 67 Ca 0.09 -0.08 -0.41 0.00 -0.27 0.00 0.00 62.75 62.08 2vn6 n ILE 67 Cb 0.18 -0.47 -0.08 0.00 -1.74 0.00 0.00 39.64 37.52 2vn6 n ILE 67 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2vn6 s VAL 68 N -3.03 5.06 0.14 7.28 1.01 -0.92 -4.61 120.40 125.32 2vn6 s VAL 68 Ca 0.13 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 2vn6 s VAL 68 Cb 0.17 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2vn6 s VAL 68 CO 0.56 -0.11 0.67 -0.54 0.00 0.00 0.00 175.10 175.67 2vn6 s LYS 69 N 2.31 4.32 -1.39 2.72 1.02 -1.26 -4.20 119.74 123.26 2vn6 s LYS 69 Ca 0.18 0.89 -0.00 0.00 0.02 0.00 0.00 55.97 57.05 2vn6 s LYS 69 Cb -0.16 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2vn6 s LYS 69 CO 0.12 0.56 0.50 -1.71 -0.92 0.00 0.00 175.35 173.90 2vn6 n ASN 70 N 1.43 -0.60 0.12 2.83 5.15 -1.26 -4.69 115.26 118.24 2vn6 n ASN 70 Ca -0.07 -0.96 0.05 0.00 -0.60 0.00 0.00 54.58 53.01 2vn6 n ASN 70 Cb 0.50 -3.31 0.51 0.00 -0.53 0.00 0.00 39.78 36.95 2vn6 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vn6 h ALA 71 N 0.85 1.80 -0.77 5.20 0.00 -1.95 -0.30 119.26 124.08 2vn6 h ALA 71 Ca -0.62 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.39 2vn6 h ALA 71 Cb 1.37 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2vn6 h ALA 71 CO 0.61 0.17 0.51 0.00 0.00 0.00 0.00 179.25 180.55 2vn6 h ALA 72 N 1.83 2.05 0.05 0.00 0.00 -1.89 -0.88 119.26 120.41 2vn6 h ALA 72 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 2vn6 h ALA 72 Cb 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2vn6 h ALA 72 CO -0.01 -0.25 -2.16 0.28 0.00 0.00 0.00 179.25 177.10 2vn6 n VAL 73 N -4.49 1.62 0.31 0.00 0.31 -0.80 -4.70 118.33 110.58 2vn6 n VAL 73 Ca 0.15 -0.52 0.12 0.00 -0.01 0.00 0.00 64.34 64.07 2vn6 n VAL 73 Cb 0.50 -1.67 0.06 0.00 -0.91 0.00 0.00 33.84 31.83 2vn6 n VAL 73 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2vn6 h ASN 74 N -0.20 0.00 -4.19 4.52 2.35 -0.91 -3.47 115.58 113.68 2vn6 h ASN 74 Ca -0.51 -0.11 -0.68 0.00 -0.55 0.00 0.00 56.30 54.46 2vn6 h ASN 74 Cb 1.85 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.91 2vn6 h ASN 74 CO -0.07 0.05 -0.88 0.12 -1.65 0.00 0.00 177.43 175.00 2vn6 s PHE 75 N -3.28 2.32 0.01 1.19 5.36 -0.35 -1.09 117.98 122.15 2vn6 s PHE 75 Ca 0.02 -0.61 -0.02 0.00 -0.96 0.00 0.00 56.93 55.36 2vn6 s PHE 75 Cb 0.11 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.26 2vn6 s PHE 75 CO 0.76 -0.16 0.02 -1.54 -1.46 0.00 0.00 175.22 172.84 2vn6 s SER 76 N -0.29 0.16 0.04 6.13 1.04 0.11 -4.73 113.70 116.16 2vn6 s SER 76 Ca 0.01 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2vn6 s SER 76 Cb -0.12 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 2vn6 s SER 76 CO 0.02 -0.28 0.12 -0.94 0.98 0.00 0.00 173.24 173.14 2vn6 s SER 77 N -1.27 0.15 0.17 7.02 1.04 -1.26 -0.98 113.70 118.58 2vn6 s SER 77 Ca -0.14 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.59 2vn6 s SER 77 Cb -0.08 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2vn6 s SER 77 CO -0.00 -0.53 0.54 -0.94 0.98 0.00 0.00 173.24 173.28 2vn6 s SER 78 N -2.16 -0.36 -0.03 7.02 1.04 -0.94 -4.99 113.70 113.27 2vn6 s SER 78 Ca -0.04 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2vn6 s SER 78 Cb -0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.71 2vn6 s SER 78 CO -0.05 -1.00 -0.03 0.00 0.98 0.00 0.00 173.24 173.14 2vn6 s ALA 79 N -3.82 0.49 -0.17 5.32 0.00 -1.26 -0.38 121.76 121.94 2vn6 s ALA 79 Ca 0.05 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2vn6 s ALA 79 Cb -0.01 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2vn6 s ALA 79 CO -0.08 -0.02 0.42 0.45 0.00 0.00 0.00 175.76 176.54 2vn6 s SER 80 N 0.82 -0.51 -1.56 0.00 0.15 -0.47 -4.98 113.70 107.15 2vn6 s SER 80 Ca -0.10 0.90 -0.13 0.00 0.70 0.00 0.00 55.95 57.33 2vn6 s SER 80 Cb -0.13 0.81 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 2vn6 s SER 80 CO -0.01 -0.18 0.84 0.59 1.20 0.00 0.00 173.24 175.68 2vn6 n ASN 81 N 3.95 -3.54 0.00 5.45 3.02 -1.26 -1.40 115.26 121.47 2vn6 n ASN 81 Ca -0.21 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2vn6 n ASN 81 Cb 0.56 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 2vn6 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vn6 n GLY 82 N -1.61 0.52 3.04 7.41 0.00 -1.26 -5.02 105.19 108.26 2vn6 n GLY 82 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2vn6 n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn6 s THR 83 N -2.00 1.37 -0.23 2.61 2.01 -0.49 -1.46 115.64 117.44 2vn6 s THR 83 Ca 0.00 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 2vn6 s THR 83 Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2vn6 s THR 83 CO 0.00 0.41 0.15 -0.63 -0.69 0.00 0.00 174.62 173.87 2vn6 s ILE 84 N 0.96 5.36 -0.12 1.82 1.01 0.43 -1.36 121.20 129.29 2vn6 s ILE 84 Ca -0.08 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 2vn6 s ILE 84 Cb -0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2vn6 s ILE 84 CO -0.01 0.36 0.13 -0.44 0.00 0.00 0.00 174.94 174.98 2vn6 s SER 85 N 0.94 6.26 -0.03 3.58 0.01 0.49 -0.87 113.70 124.08 2vn6 s SER 85 Ca 0.08 0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.80 2vn6 s SER 85 Cb -0.13 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 2vn6 s SER 85 CO 0.03 0.39 -0.19 -0.36 0.41 0.00 0.00 173.24 173.52 2vn6 s PHE 86 N -0.89 1.81 -0.06 2.43 0.08 -0.44 -2.20 117.98 118.71 2vn6 s PHE 86 Ca 0.14 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 2vn6 s PHE 86 Cb -0.12 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2vn6 s PHE 86 CO 0.03 -0.12 0.12 -1.17 -0.10 0.00 0.00 175.22 173.99 2vn6 s LEU 87 N -0.19 0.57 -0.03 -0.37 2.96 -0.15 -2.14 118.68 119.33 2vn6 s LEU 87 Ca 0.01 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2vn6 s LEU 87 Cb -0.10 0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.80 2vn6 s LEU 87 CO 0.01 -0.17 -0.17 0.12 -1.32 0.00 0.00 176.35 174.82 2vn6 s PHE 88 N 1.48 1.66 -0.13 5.38 5.36 0.07 -0.71 117.98 131.09 2vn6 s PHE 88 Ca -0.05 -0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 55.43 2vn6 s PHE 88 Cb -0.12 -1.10 0.05 0.00 -0.34 0.00 0.00 43.02 41.51 2vn6 s PHE 88 CO -0.05 -0.12 0.30 -1.17 -1.46 0.00 0.00 175.22 172.71 2vn6 s LEU 89 N -0.09 0.15 -0.49 6.12 2.96 -0.25 -0.95 118.68 126.13 2vn6 s LEU 89 Ca -0.01 0.65 -0.27 0.00 -0.22 0.00 0.00 54.13 54.28 2vn6 s LEU 89 Cb -0.10 0.92 -0.02 0.00 0.50 0.00 0.00 46.19 47.49 2vn6 s LEU 89 CO 0.01 -0.18 1.82 -0.62 -1.32 0.00 0.00 176.35 176.06 2vn6 s ASP 90 N 1.49 5.55 0.00 3.68 2.15 -0.81 -4.44 116.67 124.29 2vn6 s ASP 90 Ca -0.08 0.74 0.15 0.00 0.43 0.00 0.00 52.55 53.80 2vn6 s ASP 90 Cb -0.10 -2.53 0.70 0.00 -0.30 0.00 0.00 42.92 40.69 2vn6 s ASP 90 CO -0.10 -2.08 1.47 0.59 -0.17 0.00 0.00 175.17 174.88 2vn6 n ASN 91 N 11.66 0.00 -0.11 -0.34 4.13 -1.26 -0.46 115.26 128.87 2vn6 n ASN 91 Ca 0.21 0.34 0.12 0.00 1.68 0.00 0.00 54.58 56.93 2vn6 n ASN 91 Cb 0.50 -0.42 0.19 0.00 -1.54 0.00 0.00 39.78 38.51 2vn6 n ASN 91 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2vn6 n THR 92 N -1.42 0.00 0.00 3.41 -2.24 -1.26 -4.98 114.28 107.79 2vn6 n THR 92 Ca 0.05 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2vn6 n THR 92 Cb 0.16 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 2vn6 n THR 92 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2vn6 n ILE 93 N -1.14 0.00 0.00 2.28 2.08 0.39 -4.24 119.36 118.73 2vn6 n ILE 93 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 2vn6 n ILE 93 Cb 0.35 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.24 2vn6 n ILE 93 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2vn6 n THR 94 N 0.00 0.00 0.61 1.39 -2.24 -1.26 -4.86 114.28 107.91 2vn6 n THR 94 Ca 0.00 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2vn6 n THR 94 Cb 0.00 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 2vn6 n THR 94 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2vn6 n ASP 95 N -1.48 0.84 -2.54 3.42 8.00 -1.26 -4.56 116.55 118.97 2vn6 n ASP 95 Ca -0.00 -0.71 -0.11 0.00 0.71 0.00 0.00 54.79 54.68 2vn6 n ASP 95 Cb 0.00 1.14 0.03 0.00 -0.02 0.00 0.00 41.12 42.27 2vn6 n ASP 95 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vn6 n GLU 96 N -1.50 2.36 -1.54 -1.24 1.02 -1.26 -5.10 120.64 113.37 2vn6 n GLU 96 Ca 0.02 -3.76 -0.32 0.00 -0.02 0.00 0.00 57.16 53.08 2vn6 n GLU 96 Cb 0.28 -1.81 0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2vn6 n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vn6 s LEU 97 N -3.63 3.19 -0.26 -4.62 1.43 -1.26 -4.58 118.68 108.96 2vn6 s LEU 97 Ca 0.36 1.81 -0.28 0.00 -1.03 0.00 0.00 54.13 54.99 2vn6 s LEU 97 Cb 0.37 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 42.08 2vn6 s LEU 97 CO -0.02 -1.69 1.00 -0.63 0.23 0.00 0.00 176.35 175.24 2vn6 s ILE 98 N -2.76 4.67 0.00 -0.59 1.01 -0.41 -4.77 121.20 118.35 2vn6 s ILE 98 Ca 0.62 1.83 0.00 0.00 0.00 0.00 0.00 60.65 63.10 2vn6 s ILE 98 Cb -0.17 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2vn6 s ILE 98 CO 0.50 -0.24 0.17 0.35 0.00 0.00 0.00 174.94 175.72 2vn6 n THR 99 N 5.46 0.00 -4.32 2.92 -2.24 -1.26 -1.46 114.28 113.38 2vn6 n THR 99 Ca 0.10 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 2vn6 n THR 99 Cb 0.47 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 2vn6 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vn6 s ALA 100 N -0.46 1.99 0.50 6.98 0.00 -1.26 -4.40 121.76 125.10 2vn6 s ALA 100 Ca 0.00 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.43 2vn6 s ALA 100 Cb 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2vn6 s ALA 100 CO 0.00 0.42 1.11 -0.51 0.00 0.00 0.00 175.76 176.77 2vn6 s ASP 101 N -1.97 6.06 0.00 0.00 1.11 -1.26 -4.86 116.67 115.76 2vn6 s ASP 101 Ca 0.09 2.13 0.00 0.00 0.18 0.00 0.00 52.55 54.95 2vn6 s ASP 101 Cb -0.10 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.31 2vn6 s ASP 101 CO 0.05 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.03 2vn6 n GLY 102 N 0.13 0.31 3.66 0.21 0.00 -0.63 -4.97 105.19 103.90 2vn6 n GLY 102 Ca 0.10 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 2vn6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vn6 s VAL 103 N -2.93 4.62 0.03 1.61 1.01 -1.26 -0.73 120.40 122.75 2vn6 s VAL 103 Ca 0.00 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 2vn6 s VAL 103 Cb 0.00 -4.26 -0.35 0.00 0.00 0.00 0.00 36.38 31.77 2vn6 s VAL 103 CO 0.00 -0.17 1.00 0.15 0.00 0.00 0.00 175.10 176.08 2vn6 h PHE 104 N 7.55 0.95 -2.82 5.22 3.57 -0.97 -3.00 116.94 127.44 2vn6 h PHE 104 Ca -0.21 -0.70 -0.10 0.00 3.53 0.00 0.00 57.97 60.50 2vn6 h PHE 104 Cb 1.07 -0.04 -0.19 0.00 2.79 0.00 0.00 35.95 39.58 2vn6 h PHE 104 CO 0.76 1.55 -0.14 0.00 -2.23 0.00 0.00 178.31 178.25 2vn6 s ALA 105 N -2.60 -1.04 -0.16 2.41 0.00 -1.06 -0.26 121.76 119.05 2vn6 s ALA 105 Ca -0.09 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2vn6 s ALA 105 Cb 0.04 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2vn6 s ALA 105 CO 0.94 -0.33 -0.19 -0.80 0.00 0.00 0.00 175.76 175.38 2vn6 s ASN 106 N -1.47 3.28 -0.23 0.00 0.02 0.28 -0.55 114.94 116.27 2vn6 s ASN 106 Ca -0.11 -0.59 -0.10 0.00 -1.02 0.00 0.00 52.86 51.05 2vn6 s ASN 106 Cb -0.03 -1.50 -0.05 0.00 0.02 0.00 0.00 41.25 39.70 2vn6 s ASN 106 CO 0.04 0.04 0.13 -0.63 0.02 0.00 0.00 177.10 176.70 2vn6 s ILE 107 N 1.03 5.16 -0.26 0.60 1.01 -0.02 -1.65 121.20 127.08 2vn6 s ILE 107 Ca -0.01 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 2vn6 s ILE 107 Cb -0.14 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2vn6 s ILE 107 CO -0.06 0.37 0.22 -0.54 0.00 0.00 0.00 174.94 174.94 2vn6 s LYS 108 N 0.92 4.03 -0.10 2.79 1.02 0.05 0.05 119.74 128.51 2vn6 s LYS 108 Ca 0.07 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.87 2vn6 s LYS 108 Cb -0.13 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2vn6 s LYS 108 CO 0.03 -0.08 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.19 2vn6 s PHE 109 N 1.48 2.78 -0.11 3.18 0.08 -0.22 -0.71 117.98 124.46 2vn6 s PHE 109 Ca 0.09 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.58 2vn6 s PHE 109 Cb -0.15 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2vn6 s PHE 109 CO 0.08 -0.03 0.36 0.21 -0.10 0.00 0.00 175.22 175.74 2vn6 s LYS 110 N -0.12 4.16 -0.07 0.44 2.20 0.38 -0.78 119.74 125.95 2vn6 s LYS 110 Ca -0.01 0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 55.61 2vn6 s LYS 110 Cb -0.14 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2vn6 s LYS 110 CO 0.03 0.35 0.74 -0.51 -0.36 0.00 0.00 175.35 175.60 2vn6 s LEU 111 N 0.09 4.31 0.61 5.43 1.02 0.27 -1.21 118.68 129.19 2vn6 s LEU 111 Ca 0.21 1.24 0.01 0.00 0.02 0.00 0.00 54.13 55.61 2vn6 s LEU 111 Cb -0.14 -3.15 0.07 0.00 0.02 0.00 0.00 46.19 42.99 2vn6 s LEU 111 CO 0.08 -0.15 0.85 -0.54 0.02 0.00 0.00 176.35 176.60 2vn6 s LYS 112 N 0.92 2.24 0.40 1.70 1.02 -0.63 0.13 119.74 125.51 2vn6 s LYS 112 Ca 0.39 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 55.20 2vn6 s LYS 112 Cb -0.18 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 2vn6 s LYS 112 CO 0.19 -0.97 1.14 -1.54 -0.92 0.00 0.00 175.35 173.25 2vn6 s SER 113 N -4.54 6.59 0.06 2.83 1.04 -1.26 -4.40 113.70 114.02 2vn6 s SER 113 Ca 0.61 2.27 0.00 0.00 0.48 0.00 0.00 55.95 59.31 2vn6 s SER 113 Cb -0.08 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2vn6 s SER 113 CO 0.40 -0.62 -0.04 0.68 0.98 0.00 0.00 173.24 174.64 2vn6 s VAL 114 N -1.46 0.34 -0.54 5.02 -7.23 -1.26 -4.97 120.40 110.30 2vn6 s VAL 114 Ca 0.57 -1.66 0.22 0.00 -1.81 0.00 0.00 61.98 59.31 2vn6 s VAL 114 Cb -0.29 -1.31 -0.17 0.00 0.56 0.00 0.00 36.38 35.18 2vn6 s VAL 114 CO 0.36 -0.85 0.91 0.35 -0.31 0.00 0.00 175.10 175.56 2vn6 n THR 115 N 0.39 0.14 -3.80 5.32 -2.24 -1.26 -4.79 114.28 108.03 2vn6 n THR 115 Ca -0.16 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 2vn6 n THR 115 Cb 0.60 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 2vn6 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vn6 s ALA 116 N -3.23 -0.50 0.00 6.98 0.00 -1.26 -5.00 121.76 118.75 2vn6 s ALA 116 Ca 0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 51.96 51.42 2vn6 s ALA 116 Cb 0.14 0.32 -0.17 0.00 0.00 0.00 0.00 23.12 23.41 2vn6 s ALA 116 CO 0.83 -0.40 1.40 1.17 0.00 0.00 0.00 175.76 178.76 2vn6 n LYS 117 N 0.57 1.06 -4.01 0.00 4.81 -1.26 -4.77 118.16 114.55 2vn6 n LYS 117 Ca -0.18 0.38 -0.16 0.00 -0.87 0.00 0.00 58.31 57.48 2vn6 n LYS 117 Cb 0.59 -2.02 -0.15 0.00 0.02 0.00 0.00 35.03 33.47 2vn6 n LYS 117 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2vn6 s THR 118 N 1.06 0.25 -0.20 3.15 2.01 -0.24 -5.00 115.64 116.68 2vn6 s THR 118 Ca 0.88 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 2vn6 s THR 118 Cb -1.00 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2vn6 s THR 118 CO 0.51 0.12 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.65 2vn6 s THR 119 N 0.55 3.65 -0.10 -0.82 2.01 -1.26 -0.36 115.64 119.32 2vn6 s THR 119 Ca -0.06 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2vn6 s THR 119 Cb -0.09 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2vn6 s THR 119 CO -0.01 0.44 -0.23 0.28 -0.69 0.00 0.00 174.62 174.42 2vn6 s THR 120 N 1.04 1.95 0.35 -0.82 -1.32 0.05 -4.98 115.64 111.91 2vn6 s THR 120 Ca 0.01 -0.95 -0.21 0.00 -1.21 0.00 0.00 61.69 59.32 2vn6 s THR 120 Cb -0.15 -1.69 -0.10 0.00 -1.51 0.00 0.00 72.50 69.06 2vn6 s THR 120 CO 0.01 0.53 0.88 -2.16 -2.21 0.00 0.00 174.62 171.67 2vn6 s PRO 121 N 0.38 4.30 -0.25 7.08 0.04 -1.26 -1.12 135.00 144.17 2vn6 s PRO 121 Ca -0.18 1.07 0.01 0.00 0.04 0.00 0.00 61.00 61.94 2vn6 s PRO 121 Cb -0.18 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.91 2vn6 s PRO 121 CO 0.08 0.15 -0.09 0.08 0.04 0.00 0.00 177.00 177.26 2vn6 s VAL 122 N -1.89 2.47 0.05 -0.36 1.01 -0.36 -4.47 120.40 116.86 2vn6 s VAL 122 Ca 0.55 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2vn6 s VAL 122 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2vn6 s VAL 122 CO 0.18 0.10 -0.19 0.42 0.00 0.00 0.00 175.10 175.61 2vn6 s THR 123 N 1.21 1.55 0.20 3.92 -4.23 -0.51 -1.42 115.64 116.37 2vn6 s THR 123 Ca -0.04 -1.23 -0.31 0.00 -1.18 0.00 0.00 61.69 58.94 2vn6 s THR 123 Cb -0.18 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.19 2vn6 s THR 123 CO -0.05 0.11 1.45 -0.36 -0.54 0.00 0.00 174.62 175.23 2vn6 s PHE 124 N -0.89 3.09 0.06 3.99 0.08 -1.26 0.44 117.98 123.49 2vn6 s PHE 124 Ca 0.06 0.93 -0.05 0.00 0.12 0.00 0.00 56.93 57.99 2vn6 s PHE 124 Cb -0.09 -3.81 -0.02 0.00 -0.57 0.00 0.00 43.02 38.54 2vn6 s PHE 124 CO 0.02 -2.74 0.08 -1.59 -0.10 0.00 0.00 175.22 170.89 2vn6 s LYS 125 N 0.26 0.69 -0.21 0.44 -2.85 -0.61 -4.86 119.74 112.60 2vn6 s LYS 125 Ca 0.63 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 2vn6 s LYS 125 Cb -0.41 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 2vn6 s LYS 125 CO 0.38 -0.18 0.00 -0.25 0.10 0.00 0.00 175.35 175.40 2vn6 n ASP 126 N 0.22 -3.35 0.00 0.03 8.00 -1.26 -3.88 116.55 116.31 2vn6 n ASP 126 Ca -0.16 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.39 2vn6 n ASP 126 Cb 0.61 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2vn6 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vn6 n GLY 127 N -2.60 -1.22 0.00 0.44 0.00 -1.26 -4.93 105.19 95.61 2vn6 n GLY 127 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2vn6 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn6 n GLY 128 N 0.00 0.96 3.42 -0.02 0.00 -1.26 -4.28 105.19 104.01 2vn6 n GLY 128 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 2vn6 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn6 s ALA 129 N -1.04 -1.32 -0.14 4.61 0.00 -0.33 -4.96 121.76 118.59 2vn6 s ALA 129 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2vn6 s ALA 129 Cb 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.50 2vn6 s ALA 129 CO 0.00 -0.27 -0.03 -0.06 0.00 0.00 0.00 175.76 175.40 2vn6 s PHE 130 N -0.08 1.29 -0.03 0.00 0.08 -1.26 -1.05 117.98 116.92 2vn6 s PHE 130 Ca -0.03 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.32 2vn6 s PHE 130 Cb -0.03 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 2vn6 s PHE 130 CO 0.02 -0.52 -0.15 0.20 -0.10 0.00 0.00 175.22 174.67 2vn6 s GLY 131 N 1.77 1.53 0.00 4.36 0.00 0.71 -0.88 107.32 114.82 2vn6 s GLY 131 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2vn6 s GLY 131 CO -0.07 -0.83 0.00 2.09 0.00 0.00 0.00 173.10 174.28 2vn6 n ASP 132 N 2.16 -0.01 0.00 1.64 5.68 0.39 -0.83 116.55 125.59 2vn6 n ASP 132 Ca -0.17 -0.55 0.05 0.00 -0.50 0.00 0.00 54.79 53.63 2vn6 n ASP 132 Cb 0.52 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.77 2vn6 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vn6 n GLY 133 N 4.98 -0.75 0.86 6.12 0.00 -0.04 -0.84 105.19 115.52 2vn6 n GLY 133 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2vn6 n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vn6 n THR 134 N -1.37 0.81 -1.33 2.61 -2.24 -1.26 -4.88 114.28 106.63 2vn6 n THR 134 Ca 0.04 -0.91 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 2vn6 n THR 134 Cb 0.11 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 2vn6 n THR 134 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2vn6 n MET 135 N 0.94 -0.84 -3.59 -0.78 2.81 -0.02 -5.01 117.12 110.63 2vn6 n MET 135 Ca 0.15 0.89 -0.31 0.00 -1.81 0.00 0.00 57.70 56.61 2vn6 n MET 135 Cb 0.48 -4.88 -0.05 0.00 -0.71 0.00 0.00 33.22 28.06 2vn6 n MET 135 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2vn6 s SER 136 N -2.84 6.53 0.11 7.83 0.01 -1.26 -4.66 113.70 119.41 2vn6 s SER 136 Ca 0.00 0.68 -0.33 0.00 1.31 0.00 0.00 55.95 57.62 2vn6 s SER 136 Cb 0.00 -2.13 -0.12 0.00 0.21 0.00 0.00 66.02 63.98 2vn6 s SER 136 CO 0.00 0.01 1.75 1.17 0.41 0.00 0.00 173.24 176.58 2vn6 n LYS 137 N -0.02 2.48 -2.26 12.44 4.81 -1.26 -0.46 118.16 133.89 2vn6 n LYS 137 Ca -0.02 0.90 -0.42 0.00 -0.87 0.00 0.00 58.31 57.90 2vn6 n LYS 137 Cb 0.52 -2.74 -0.03 0.00 0.02 0.00 0.00 35.03 32.80 2vn6 n LYS 137 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2vn6 s ILE 138 N 2.19 3.73 0.35 3.15 1.01 -0.06 -4.81 121.20 126.76 2vn6 s ILE 138 Ca 0.82 1.15 0.22 0.00 0.00 0.00 0.00 60.65 62.84 2vn6 s ILE 138 Cb -0.58 -3.74 0.21 0.00 0.01 0.00 0.00 42.46 38.36 2vn6 s ILE 138 CO 0.39 0.02 1.94 0.00 0.00 0.00 0.00 174.94 177.30 2vn6 h ALA 139 N 7.51 1.27 -2.89 9.38 0.00 -1.91 -3.42 119.26 129.20 2vn6 h ALA 139 Ca -0.39 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 2vn6 h ALA 139 Cb 1.19 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 2vn6 h ALA 139 CO 0.88 0.28 -0.40 0.45 0.00 0.00 0.00 179.25 180.46 2vn6 s SER 140 N -6.44 -0.36 -0.09 0.00 0.15 -1.26 -5.12 113.70 100.58 2vn6 s SER 140 Ca -0.02 0.66 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 2vn6 s SER 140 Cb 0.13 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 65.03 2vn6 s SER 140 CO 0.64 -0.17 -0.06 -0.69 1.20 0.00 0.00 173.24 174.17 2vn6 s VAL 141 N 1.14 0.84 -0.40 4.45 1.01 -1.26 -1.61 120.40 124.56 2vn6 s VAL 141 Ca -0.08 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 2vn6 s VAL 141 Cb -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2vn6 s VAL 141 CO -0.09 0.33 0.47 -0.89 0.00 0.00 0.00 175.10 174.92 2vn6 s THR 142 N 1.64 5.05 -0.30 3.92 2.01 0.78 -4.94 115.64 123.81 2vn6 s THR 142 Ca 0.02 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 2vn6 s THR 142 Cb -0.13 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2vn6 s THR 142 CO -0.06 -0.38 0.15 -0.54 -0.69 0.00 0.00 174.62 173.10 2vn6 s LYS 143 N 2.25 3.50 -0.17 4.92 1.02 -1.26 -1.03 119.74 128.96 2vn6 s LYS 143 Ca 0.14 -0.61 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 2vn6 s LYS 143 Cb -0.16 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 2vn6 s LYS 143 CO 0.14 -0.35 -0.10 0.99 -0.92 0.00 0.00 175.35 175.11 2vn6 s THR 144 N 1.65 3.07 0.71 2.17 2.01 -0.51 -5.02 115.64 119.72 2vn6 s THR 144 Ca 0.05 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 2vn6 s THR 144 Cb -0.17 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2vn6 s THR 144 CO 0.07 0.48 1.07 0.20 -0.69 0.00 0.00 174.62 175.75 2vn6 s ASN 145 N 0.94 5.12 0.00 3.53 0.01 -1.26 -1.10 114.94 122.18 2vn6 s ASN 145 Ca -0.02 1.72 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 2vn6 s ASN 145 Cb -0.15 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.00 2vn6 s ASN 145 CO -0.01 -1.62 0.00 0.61 -1.51 0.00 0.00 177.10 174.58 2vn6 n GLY 146 N -1.59 6.68 3.58 0.66 0.00 -0.51 -4.61 105.19 109.40 2vn6 n GLY 146 Ca 0.08 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 2vn6 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vn6 s SER 147 N 0.69 -0.27 -0.04 1.61 1.04 -1.04 -1.22 113.70 114.48 2vn6 s SER 147 Ca 0.00 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2vn6 s SER 147 Cb 0.00 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 2vn6 s SER 147 CO 0.00 -0.60 -0.16 -0.69 0.98 0.00 0.00 173.24 172.76 2vn6 s VAL 148 N -3.01 1.36 -0.21 5.02 1.01 -0.27 -2.14 120.40 122.17 2vn6 s VAL 148 Ca 0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2vn6 s VAL 148 Cb -0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2vn6 s VAL 148 CO -0.06 0.39 -0.00 -0.89 0.00 0.00 0.00 175.10 174.55 2vn6 s THR 149 N 0.01 3.89 -0.25 3.92 2.01 -0.06 -0.77 115.64 124.38 2vn6 s THR 149 Ca -0.03 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 2vn6 s THR 149 Cb -0.11 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 2vn6 s THR 149 CO 0.02 0.42 0.02 -0.63 -0.69 0.00 0.00 174.62 173.76 2vn6 s ILE 150 N 1.11 3.72 -0.29 1.82 1.01 0.51 -1.65 121.20 127.43 2vn6 s ILE 150 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2vn6 s ILE 150 Cb -0.14 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.60 2vn6 s ILE 150 CO 0.01 0.28 -0.05 -0.62 0.00 0.00 0.00 174.94 174.56 2vn6 s ASP 151 N 1.50 4.59 0.00 3.58 -1.08 0.02 -1.08 116.67 124.20 2vn6 s ASP 151 Ca 0.05 -1.57 0.27 0.00 -0.52 0.00 0.00 52.55 50.77 2vn6 s ASP 151 Cb -0.15 -1.59 1.59 0.00 -1.46 0.00 0.00 42.92 41.30 2vn6 s ASP 151 CO -0.00 -0.25 1.94 -0.81 0.52 0.00 0.00 175.17 176.57