#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvx n PRO 11 N 0.00 0.37 -3.74 0.00 -0.04 -1.26 -4.75 135.00 125.57 1dvx n PRO 11 Ca 0.00 -0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.12 1dvx n PRO 11 Cb 0.00 -1.50 -0.18 0.00 -0.04 0.00 0.00 33.50 31.79 1dvx n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dvx s LEU 12 N -2.71 0.53 0.01 1.53 2.96 -1.26 0.19 118.68 119.93 1dvx s LEU 12 Ca 0.22 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1dvx s LEU 12 Cb 0.19 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 1dvx s LEU 12 CO 0.53 -0.22 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.90 1dvx s MET 13 N 2.01 0.87 -0.06 1.98 -2.45 0.50 -4.38 119.30 117.76 1dvx s MET 13 Ca 0.04 -0.54 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 1dvx s MET 13 Cb -0.13 -0.84 0.00 0.00 1.25 0.00 0.00 34.83 35.12 1dvx s MET 13 CO -0.05 0.22 -0.16 0.08 1.05 0.00 0.00 175.02 176.15 1dvx s VAL 14 N -0.54 1.42 -0.06 10.11 1.01 -1.06 0.23 120.40 131.49 1dvx s VAL 14 Ca 0.02 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1dvx s VAL 14 Cb -0.06 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1dvx s VAL 14 CO 0.00 0.41 -0.15 -0.75 0.00 0.00 0.00 175.10 174.62 1dvx s LYS 15 N 0.31 1.87 -0.09 2.72 2.20 0.05 -0.66 119.74 126.14 1dvx s LYS 15 Ca -0.10 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1dvx s LYS 15 Cb -0.14 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1dvx s LYS 15 CO 0.04 0.09 -0.14 0.08 -0.36 0.00 0.00 175.35 175.06 1dvx s VAL 16 N 0.48 1.34 0.14 4.02 1.01 0.22 -0.61 120.40 127.00 1dvx s VAL 16 Ca -0.13 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1dvx s VAL 16 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1dvx s VAL 16 CO 0.04 0.41 -0.16 -0.76 0.00 0.00 0.00 175.10 174.62 1dvx s LEU 17 N 0.87 2.76 -0.31 3.92 2.01 0.13 -0.26 118.68 127.80 1dvx s LEU 17 Ca -0.10 -0.58 -0.09 0.00 0.01 0.00 0.00 54.13 53.37 1dvx s LEU 17 Cb -0.15 -1.56 -0.00 0.00 0.01 0.00 0.00 46.19 44.49 1dvx s LEU 17 CO 0.01 0.16 0.15 -0.62 1.01 0.00 0.00 176.35 177.05 1dvx s ASP 18 N -2.35 5.51 0.08 2.29 -1.08 0.16 -0.68 116.67 120.61 1dvx s ASP 18 Ca 0.20 -0.59 0.28 0.00 -0.52 0.00 0.00 52.55 51.92 1dvx s ASP 18 Cb -0.10 -1.99 1.07 0.00 -1.46 0.00 0.00 42.92 40.44 1dvx s ASP 18 CO 0.11 -0.21 1.87 0.00 0.52 0.00 0.00 175.17 177.46 1dvx n ALA 19 N 4.97 2.31 0.06 3.66 0.00 0.11 -1.25 120.51 130.37 1dvx n ALA 19 Ca -0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1dvx n ALA 19 Cb 0.49 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1dvx n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvx h VAL 20 N 0.00 0.87 -0.00 0.00 2.07 -1.94 -3.38 116.25 113.87 1dvx h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1dvx h VAL 20 Cb 0.59 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1dvx h VAL 20 CO 0.00 0.87 -0.80 0.54 0.02 0.00 0.00 177.57 178.20 1dvx n ARG 21 N -3.58 0.94 -3.12 1.57 1.74 -1.24 -5.00 116.66 107.98 1dvx n ARG 21 Ca -0.26 -0.16 -0.13 0.00 -0.77 0.00 0.00 57.85 56.52 1dvx n ARG 21 Cb 1.07 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 31.20 1dvx n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvx n GLY 22 N 1.42 -0.18 3.50 -0.13 0.00 -0.38 -5.02 105.19 104.39 1dvx n GLY 22 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1dvx n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvx s SER 23 N -4.03 -0.10 0.64 1.61 1.04 -1.09 -5.00 113.70 106.77 1dvx s SER 23 Ca 0.01 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 1dvx s SER 23 Cb -0.01 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1dvx s SER 23 CO 0.57 -1.04 1.18 -2.84 0.98 0.00 0.00 173.24 172.09 1dvx s PRO 24 N -3.96 2.72 -0.49 4.02 0.02 -1.26 0.41 135.00 136.45 1dvx s PRO 24 Ca 0.17 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 62.69 1dvx s PRO 24 Cb 0.00 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.66 1dvx s PRO 24 CO 0.03 -1.38 0.67 0.00 -0.33 0.00 0.00 177.00 176.00 1dvx s ALA 25 N -1.88 3.34 0.17 -1.55 0.00 0.64 -4.53 121.76 117.95 1dvx s ALA 25 Ca 0.74 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 1dvx s ALA 25 Cb -0.27 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1dvx s ALA 25 CO 0.38 -1.98 0.53 0.42 0.00 0.00 0.00 175.76 175.12 1dvx s ILE 26 N 2.89 4.91 -1.65 0.00 1.01 -1.26 -4.32 121.20 122.77 1dvx s ILE 26 Ca 0.20 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 1dvx s ILE 26 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1dvx s ILE 26 CO 0.16 0.12 0.37 0.59 0.00 0.00 0.00 174.94 176.17 1dvx n ASN 27 N 0.42 -6.03 -4.69 3.58 3.02 -0.28 -4.93 115.26 106.35 1dvx n ASN 27 Ca -0.03 -0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 53.94 1dvx n ASN 27 Cb 0.52 -4.93 -0.05 0.00 -0.61 0.00 0.00 39.78 34.71 1dvx n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvx s VAL 28 N -3.12 5.01 0.16 2.41 1.01 -1.26 -4.74 120.40 119.87 1dvx s VAL 28 Ca 0.18 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1dvx s VAL 28 Cb -0.08 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1dvx s VAL 28 CO 0.23 0.16 1.17 0.00 0.00 0.00 0.00 175.10 176.66 1dvx s ALA 29 N 1.44 3.41 -0.06 5.51 0.00 -1.26 -1.34 121.76 129.46 1dvx s ALA 29 Ca 0.34 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1dvx s ALA 29 Cb -0.17 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1dvx s ALA 29 CO 0.14 -0.34 -0.13 0.08 0.00 0.00 0.00 175.76 175.51 1dvx s VAL 30 N 0.13 1.17 -0.07 0.00 1.01 0.13 -0.95 120.40 121.81 1dvx s VAL 30 Ca 0.53 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1dvx s VAL 30 Cb -0.31 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1dvx s VAL 30 CO 0.35 0.36 -0.23 -1.00 0.00 0.00 0.00 175.10 174.58 1dvx s HIS 31 N 0.59 2.28 -0.07 5.22 3.76 0.06 -1.04 115.29 126.08 1dvx s HIS 31 Ca -0.13 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.05 1dvx s HIS 31 Cb -0.15 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 1dvx s HIS 31 CO 0.04 -0.27 -0.16 0.08 -0.85 0.00 0.00 174.74 173.58 1dvx s VAL 32 N 0.06 2.84 0.16 -0.90 1.01 0.25 -0.01 120.40 123.81 1dvx s VAL 32 Ca -0.09 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1dvx s VAL 32 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1dvx s VAL 32 CO 0.05 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.22 1dvx s PHE 33 N -0.36 1.53 -0.04 5.22 0.40 0.48 0.01 117.98 125.22 1dvx s PHE 33 Ca 0.03 -0.58 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1dvx s PHE 33 Cb -0.12 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1dvx s PHE 33 CO 0.02 0.22 -0.18 0.50 0.70 0.00 0.00 175.22 176.48 1dvx s ARG 34 N -3.14 1.81 -0.12 0.44 3.52 -0.52 -0.73 118.95 120.21 1dvx s ARG 34 Ca 0.15 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1dvx s ARG 34 Cb -0.03 -1.60 -0.02 0.00 -1.56 0.00 0.00 34.95 31.74 1dvx s ARG 34 CO 0.04 0.29 1.27 0.21 -0.81 0.00 0.00 175.30 176.30 1dvx s LYS 35 N -0.09 4.27 0.89 5.12 2.20 -0.12 -1.42 119.74 130.60 1dvx s LYS 35 Ca -0.01 1.70 -0.14 0.00 -0.36 0.00 0.00 55.97 57.16 1dvx s LYS 35 Cb -0.11 -3.70 0.15 0.00 -1.51 0.00 0.00 37.83 32.66 1dvx s LYS 35 CO 0.02 -0.62 1.25 0.00 -0.36 0.00 0.00 175.35 175.64 1dvx s ALA 36 N 3.05 2.40 0.45 3.13 0.00 0.18 -4.71 121.76 126.26 1dvx s ALA 36 Ca 0.56 -0.94 0.15 0.00 0.00 0.00 0.00 51.96 51.73 1dvx s ALA 36 Cb -0.24 -2.86 1.07 0.00 0.00 0.00 0.00 23.12 21.09 1dvx s ALA 36 CO 0.18 -2.10 1.98 0.00 0.00 0.00 0.00 175.76 175.82 1dvx h ALA 37 N -1.38 2.06 -0.43 0.00 0.00 -1.95 -1.65 119.26 115.91 1dvx h ALA 37 Ca -0.45 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1dvx h ALA 37 Cb 1.28 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1dvx h ALA 37 CO 0.51 -0.20 0.19 -0.40 0.00 0.00 0.00 179.25 179.36 1dvx n ASP 38 N -4.46 3.46 -2.23 0.00 5.75 -1.26 -4.87 116.55 112.95 1dvx n ASP 38 Ca 0.09 -2.70 -0.21 0.00 -0.01 0.00 0.00 54.79 51.97 1dvx n ASP 38 Cb 0.39 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1dvx n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvx n ASP 39 N -0.06 -5.86 -4.65 -1.12 8.00 -0.62 -4.99 116.55 107.25 1dvx n ASP 39 Ca 0.24 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.52 1dvx n ASP 39 Cb 0.96 -4.94 -0.09 0.00 -0.02 0.00 0.00 41.12 37.03 1dvx n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvx s THR 40 N -2.99 3.92 -0.43 -3.53 2.01 -1.26 -4.87 115.64 108.49 1dvx s THR 40 Ca 0.00 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.99 1dvx s THR 40 Cb 0.00 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.77 1dvx s THR 40 CO 0.00 0.32 0.83 0.26 -0.69 0.00 0.00 174.62 175.34 1dvx s TRP 41 N -1.11 3.00 -0.12 4.92 0.52 -1.26 0.50 118.94 125.40 1dvx s TRP 41 Ca 0.20 0.33 -0.06 0.00 0.02 0.00 0.00 56.10 56.59 1dvx s TRP 41 Cb -0.11 -3.70 -0.04 0.00 -1.15 0.00 0.00 33.47 28.47 1dvx s TRP 41 CO 0.11 -0.96 0.12 -1.83 0.02 0.00 0.00 176.95 174.41 1dvx s GLU 42 N 3.39 3.38 0.23 4.98 -1.05 -0.50 -4.89 118.70 124.25 1dvx s GLU 42 Ca 0.33 -0.17 -0.31 0.00 -0.15 0.00 0.00 54.97 54.67 1dvx s GLU 42 Cb -0.12 -3.14 -0.14 0.00 -0.44 0.00 0.00 34.13 30.30 1dvx s GLU 42 CO 0.22 0.77 1.30 -2.30 0.95 0.00 0.00 175.26 176.21 1dvx n PRO 43 N 2.00 1.77 -0.02 -4.83 -0.02 -1.26 -1.43 135.00 131.21 1dvx n PRO 43 Ca -0.20 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 1dvx n PRO 43 Cb 0.55 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1dvx n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvx n PHE 44 N 1.55 0.00 -3.57 6.00 7.35 0.10 -4.77 117.46 124.13 1dvx n PHE 44 Ca 0.12 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1dvx n PHE 44 Cb 0.30 -0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.00 1dvx n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvx s ALA 45 N -2.06 -1.94 0.18 3.13 0.00 -0.90 -4.99 121.76 115.17 1dvx s ALA 45 Ca -0.04 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.88 1dvx s ALA 45 Cb 0.01 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.39 1dvx s ALA 45 CO 0.06 -0.70 0.56 -1.54 0.00 0.00 0.00 175.76 174.14 1dvx s SER 46 N -2.43 -0.40 0.00 0.00 1.04 -1.26 0.86 113.70 111.51 1dvx s SER 46 Ca 0.08 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1dvx s SER 46 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1dvx s SER 46 CO -0.06 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1dvx n GLY 47 N -0.35 -1.20 3.16 7.32 0.00 -0.21 -5.00 105.19 108.91 1dvx n GLY 47 Ca -0.14 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 1dvx n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvx s LYS 48 N -0.67 1.02 0.49 1.61 1.02 -1.26 0.17 119.74 122.13 1dvx s LYS 48 Ca 0.00 -0.79 -0.22 0.00 0.02 0.00 0.00 55.97 54.97 1dvx s LYS 48 Cb 0.00 -1.06 -0.07 0.00 -0.52 0.00 0.00 37.83 36.19 1dvx s LYS 48 CO 0.00 0.26 1.20 0.95 -0.92 0.00 0.00 175.35 176.85 1dvx s THR 49 N -0.84 2.88 0.07 2.17 -4.23 -0.45 -4.75 115.64 110.49 1dvx s THR 49 Ca 0.03 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1dvx s THR 49 Cb -0.08 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.46 1dvx s THR 49 CO 0.01 -0.02 0.09 -1.54 -0.54 0.00 0.00 174.62 172.62 1dvx n SER 50 N -0.71 0.05 0.29 3.99 3.41 0.38 -1.13 113.62 119.90 1dvx n SER 50 Ca 0.09 -1.06 0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1dvx n SER 50 Cb 0.48 -0.07 0.89 0.00 -0.26 0.00 0.00 64.21 65.25 1dvx n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvx h GLU 51 N 0.00 0.00 -0.27 4.33 4.39 -1.94 0.11 114.58 121.21 1dvx h GLU 51 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1dvx h GLU 51 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1dvx h GLU 51 CO 0.03 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.75 1dvx n SER 52 N -3.87 1.96 -0.23 1.42 3.41 -1.26 -4.77 113.62 110.28 1dvx n SER 52 Ca -0.03 -1.85 -0.03 0.00 -0.26 0.00 0.00 58.87 56.71 1dvx n SER 52 Cb 0.09 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1dvx n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvx n GLY 53 N 1.15 0.58 3.64 5.00 0.00 0.40 -4.80 105.19 111.18 1dvx n GLY 53 Ca 0.15 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1dvx n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvx s GLU 54 N -1.49 2.33 -0.18 1.61 2.02 -1.26 -0.61 118.70 121.13 1dvx s GLU 54 Ca 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 1dvx s GLU 54 Cb 0.00 -2.32 0.05 0.00 0.10 0.00 0.00 34.13 31.96 1dvx s GLU 54 CO 0.00 0.45 -0.02 -1.17 0.02 0.00 0.00 175.26 174.54 1dvx s LEU 55 N -2.91 1.62 0.47 1.80 2.96 0.16 -0.47 118.68 122.31 1dvx s LEU 55 Ca 0.27 -0.78 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1dvx s LEU 55 Cb -0.09 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1dvx s LEU 55 CO 0.18 -0.23 0.21 -1.00 -1.32 0.00 0.00 176.35 174.19 1dvx s HIS 56 N 1.67 2.20 -1.53 5.38 3.76 -1.26 -2.58 115.29 122.92 1dvx s HIS 56 Ca -0.01 -0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 54.15 1dvx s HIS 56 Cb -0.16 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1dvx s HIS 56 CO -0.07 0.00 0.31 0.41 -0.85 0.00 0.00 174.74 174.53 1dvx n GLY 57 N -1.40 -0.42 0.16 -2.22 0.00 -1.26 -4.91 105.19 95.14 1dvx n GLY 57 Ca -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1dvx n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvx h LEU 58 N -0.70 0.34 0.00 0.99 3.38 -1.87 -3.48 115.31 113.98 1dvx h LEU 58 Ca -0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 1dvx h LEU 58 Cb 1.34 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1dvx h LEU 58 CO 0.53 0.96 0.12 1.07 0.09 0.00 0.00 178.44 181.21 1dvx n THR 59 N -3.80 0.00 -4.43 0.22 5.66 -1.26 -4.81 114.28 105.87 1dvx n THR 59 Ca -0.03 -0.77 -0.21 0.00 -3.05 0.00 0.00 64.05 59.98 1dvx n THR 59 Cb 0.70 0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 70.05 1dvx n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvx s THR 60 N -2.47 1.84 0.42 1.09 -4.23 -1.26 -4.54 115.64 106.49 1dvx s THR 60 Ca 0.12 -2.19 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 1dvx s THR 60 Cb -0.03 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.70 1dvx s THR 60 CO 0.09 -0.37 2.04 -0.33 -0.54 0.00 0.00 174.62 175.51 1dvx h GLU 61 N 2.32 0.42 -0.37 3.99 5.08 -1.98 0.19 114.58 124.23 1dvx h GLU 61 Ca -0.40 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1dvx h GLU 61 Cb 1.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1dvx h GLU 61 CO 0.65 0.32 0.02 1.49 -1.00 0.00 0.00 179.01 180.50 1dvx h GLU 62 N 0.43 0.63 0.00 2.33 4.57 -2.04 -3.20 114.58 117.30 1dvx h GLU 62 Ca 0.11 -0.19 -0.19 0.00 -1.18 0.00 0.00 59.36 57.91 1dvx h GLU 62 Cb 0.04 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1dvx h GLU 62 CO -0.02 0.73 -0.90 0.37 -1.18 0.00 0.00 179.01 178.01 1dvx h GLN 63 N 0.46 0.00 -4.34 1.92 4.15 -1.88 -3.40 115.11 112.03 1dvx h GLN 63 Ca 0.11 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.82 1dvx h GLN 63 Cb 0.42 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1dvx h GLN 63 CO 0.01 0.90 2.80 0.34 -1.93 0.00 0.00 178.83 180.95 1dvx n PHE 64 N -3.36 3.74 -2.10 3.99 7.35 0.02 -4.96 117.46 122.14 1dvx n PHE 64 Ca 0.00 -2.94 -0.27 0.00 -0.76 0.00 0.00 57.45 53.48 1dvx n PHE 64 Cb 0.89 -2.51 0.08 0.00 0.35 0.00 0.00 39.48 38.28 1dvx n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvx s VAL 65 N 3.09 2.20 0.63 -2.13 -7.23 -1.26 -4.92 120.40 110.78 1dvx s VAL 65 Ca 0.48 -0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.30 1dvx s VAL 65 Cb 0.11 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1dvx s VAL 65 CO -0.04 -0.01 0.97 -0.62 -0.31 0.00 0.00 175.10 175.08 1dvx n GLU 66 N -3.05 0.81 -3.25 4.82 1.02 -1.26 -4.82 120.64 114.91 1dvx n GLU 66 Ca 0.08 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1dvx n GLU 66 Cb 0.61 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1dvx n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvx n GLY 67 N 1.27 -2.19 3.61 0.62 0.00 -0.97 -4.98 105.19 102.55 1dvx n GLY 67 Ca 0.14 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1dvx n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvx s ILE 68 N -1.83 4.89 0.15 -0.61 1.01 -1.26 -0.31 121.20 123.23 1dvx s ILE 68 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.76 1dvx s ILE 68 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1dvx s ILE 68 CO 0.00 0.40 -0.20 -0.31 0.00 0.00 0.00 174.94 174.83 1dvx s TYR 69 N 0.84 2.45 -0.13 3.97 1.51 0.87 -0.94 117.35 125.92 1dvx s TYR 69 Ca 0.05 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1dvx s TYR 69 Cb -0.13 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1dvx s TYR 69 CO 0.02 0.42 -0.12 0.21 -1.11 0.00 0.00 175.55 174.98 1dvx s LYS 70 N -2.36 2.00 -0.28 -0.62 2.20 0.09 -1.07 119.74 119.69 1dvx s LYS 70 Ca 0.19 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.26 1dvx s LYS 70 Cb -0.10 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.34 1dvx s LYS 70 CO 0.10 -0.20 0.12 0.08 -0.36 0.00 0.00 175.35 175.08 1dvx s VAL 71 N 1.43 4.52 -0.21 4.02 1.01 0.10 -0.38 120.40 130.89 1dvx s VAL 71 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1dvx s VAL 71 Cb -0.13 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1dvx s VAL 71 CO -0.08 0.20 -0.00 -0.70 0.00 0.00 0.00 175.10 174.52 1dvx s GLU 72 N 1.62 3.58 -0.27 2.72 2.12 0.99 -0.41 118.70 129.04 1dvx s GLU 72 Ca 0.05 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 1dvx s GLU 72 Cb -0.16 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1dvx s GLU 72 CO 0.05 -0.04 0.05 0.42 -0.54 0.00 0.00 175.26 175.21 1dvx s ILE 73 N 1.14 3.91 -1.14 -3.70 1.01 0.11 -0.76 121.20 121.76 1dvx s ILE 73 Ca 0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 1dvx s ILE 73 Cb -0.14 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1dvx s ILE 73 CO 0.01 0.19 1.94 -0.67 0.00 0.00 0.00 174.94 176.41 1dvx n ASP 74 N 4.86 3.49 -0.02 3.58 2.03 -0.13 -1.20 116.55 129.16 1dvx n ASP 74 Ca -0.15 -2.77 -0.07 0.00 0.52 0.00 0.00 54.79 52.32 1dvx n ASP 74 Cb 0.49 -1.56 0.11 0.00 -0.72 0.00 0.00 41.12 39.45 1dvx n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvx h THR 75 N 5.20 1.29 -0.10 5.18 1.35 -1.87 -3.19 112.91 120.77 1dvx h THR 75 Ca 0.39 -1.46 0.03 0.00 -0.55 0.00 0.00 66.41 64.82 1dvx h THR 75 Cb 0.80 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 1dvx h THR 75 CO 1.59 0.47 -0.11 0.50 -0.25 0.00 0.00 175.52 177.72 1dvx h LYS 76 N 0.51 -0.14 -0.68 4.72 3.64 -1.71 -1.50 116.57 121.41 1dvx h LYS 76 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1dvx h LYS 76 Cb 0.83 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1dvx h LYS 76 CO 0.07 -0.09 0.44 0.77 -2.27 0.00 0.00 179.45 178.37 1dvx h SER 77 N -0.14 0.79 0.24 4.20 0.02 -1.85 -1.42 113.55 115.38 1dvx h SER 77 Ca 0.07 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1dvx h SER 77 Cb 0.25 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1dvx h SER 77 CO -0.18 0.58 -0.11 0.22 -1.14 0.00 0.00 176.83 176.20 1dvx h TYR 78 N 0.93 -0.30 -0.62 3.45 3.20 -1.34 -2.38 116.97 119.92 1dvx h TYR 78 Ca 0.25 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1dvx h TYR 78 Cb -0.09 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1dvx h TYR 78 CO 0.00 -0.18 0.01 -1.49 -1.64 0.00 0.00 178.16 174.86 1dvx h TRP 79 N -0.32 1.17 -0.87 -3.82 4.06 -1.02 -2.99 115.95 112.16 1dvx h TRP 79 Ca -0.03 -0.20 0.01 0.00 2.06 0.00 0.00 58.89 60.73 1dvx h TRP 79 Cb 0.25 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.05 1dvx h TRP 79 CO -0.06 1.02 0.58 0.87 -3.56 0.00 0.00 178.44 177.29 1dvx h LYS 80 N 0.99 1.14 0.00 0.49 1.57 -1.20 -0.06 116.57 119.49 1dvx h LYS 80 Ca 0.18 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1dvx h LYS 80 Cb 0.55 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1dvx h LYS 80 CO 0.03 0.76 -0.02 0.00 -0.57 0.00 0.00 179.45 179.64 1dvx h ALA 81 N 1.46 1.10 -0.20 3.86 0.00 -1.28 -0.43 119.26 123.77 1dvx h ALA 81 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dvx h ALA 81 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dvx h ALA 81 CO -0.07 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1dvx n LEU 82 N -3.26 2.94 0.00 0.00 4.77 -0.12 -4.94 117.00 116.38 1dvx n LEU 82 Ca -0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1dvx n LEU 82 Cb 0.15 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1dvx n LEU 82 CO 0.24 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1dvx n GLY 83 N 1.38 0.42 3.39 -0.72 0.00 -0.17 -5.04 105.19 104.44 1dvx n GLY 83 Ca 0.17 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1dvx n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvx s ILE 84 N -2.00 2.89 -0.47 -0.61 1.01 -0.68 -5.01 121.20 116.33 1dvx s ILE 84 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 1dvx s ILE 84 Cb 0.00 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1dvx s ILE 84 CO 0.00 0.55 0.80 -0.94 0.00 0.00 0.00 174.94 175.36 1dvx s SER 85 N -0.06 6.38 0.69 3.58 1.04 -1.26 -3.14 113.70 120.93 1dvx s SER 85 Ca -0.03 -0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 1dvx s SER 85 Cb -0.14 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1dvx s SER 85 CO 0.04 -0.97 1.05 -2.16 0.98 0.00 0.00 173.24 172.18 1dvx s PRO 86 N 3.37 2.76 -0.17 4.02 0.04 -1.26 -4.94 135.00 138.82 1dvx s PRO 86 Ca 0.29 0.29 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1dvx s PRO 86 Cb -0.13 -2.08 -0.21 0.00 0.04 0.00 0.00 34.50 32.13 1dvx s PRO 86 CO 0.21 -1.02 0.42 0.35 0.04 0.00 0.00 177.00 177.01 1dvx h PHE 87 N -0.58 0.00 -3.96 0.56 3.57 -1.38 -3.48 116.94 111.68 1dvx h PHE 87 Ca -0.45 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.59 1dvx h PHE 87 Cb 1.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1dvx h PHE 87 CO 0.47 1.18 0.34 -1.01 -2.23 0.00 0.00 178.31 177.06 1dvx s HIS 88 N -2.27 3.52 0.21 0.41 3.76 -1.26 -4.96 115.29 114.70 1dvx s HIS 88 Ca -0.23 1.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.39 1dvx s HIS 88 Cb 0.02 -2.89 0.18 0.00 1.11 0.00 0.00 32.58 31.00 1dvx s HIS 88 CO 0.60 0.07 1.52 0.93 -0.85 0.00 0.00 174.74 177.01 1dvx h GLU 89 N 2.61 0.35 -1.46 1.40 4.39 -1.98 -3.36 114.58 116.53 1dvx h GLU 89 Ca -0.48 -0.24 0.35 0.00 0.34 0.00 0.00 59.36 59.32 1dvx h GLU 89 Cb 1.19 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.76 1dvx h GLU 89 CO 0.63 0.86 0.88 -3.38 -1.16 0.00 0.00 179.01 176.83 1dvx s HIS 90 N -3.79 -0.02 -0.12 4.33 -3.43 -1.26 -3.56 115.29 107.43 1dvx s HIS 90 Ca -0.05 -0.06 -0.02 0.00 -0.80 0.00 0.00 55.06 54.13 1dvx s HIS 90 Cb 0.11 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 1dvx s HIS 90 CO 0.82 -0.22 -0.06 0.00 -2.00 0.00 0.00 174.74 173.28 1dvx s ALA 91 N -2.27 2.92 -0.03 -1.38 0.00 -0.34 -4.89 121.76 115.77 1dvx s ALA 91 Ca 0.17 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1dvx s ALA 91 Cb 0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1dvx s ALA 91 CO -0.04 0.33 -0.24 -1.21 0.00 0.00 0.00 175.76 174.59 1dvx s GLU 92 N 0.01 2.08 -0.16 0.00 2.02 -1.26 0.06 118.70 121.45 1dvx s GLU 92 Ca -0.01 -0.87 -0.00 0.00 0.02 0.00 0.00 54.97 54.11 1dvx s GLU 92 Cb -0.14 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.18 1dvx s GLU 92 CO 0.03 0.50 -0.07 0.08 0.02 0.00 0.00 175.26 175.82 1dvx s VAL 93 N -0.49 1.22 -0.15 2.63 1.01 0.45 -4.97 120.40 120.11 1dvx s VAL 93 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1dvx s VAL 93 Cb -0.10 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1dvx s VAL 93 CO -0.00 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.44 1dvx s VAL 94 N 1.59 2.68 0.07 2.92 1.01 -1.26 0.02 120.40 127.43 1dvx s VAL 94 Ca 0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1dvx s VAL 94 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1dvx s VAL 94 CO -0.08 0.52 0.38 0.72 0.00 0.00 0.00 175.10 176.64 1dvx s PHE 95 N 0.70 -0.21 0.02 5.22 -0.71 -0.24 -4.99 117.98 117.79 1dvx s PHE 95 Ca -0.07 0.06 -0.21 0.00 -1.04 0.00 0.00 56.93 55.66 1dvx s PHE 95 Cb -0.16 0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 41.80 1dvx s PHE 95 CO 0.02 -0.59 0.63 0.99 -1.34 0.00 0.00 175.22 174.92 1dvx s THR 96 N -2.90 4.83 0.05 -4.49 2.01 -1.26 -0.09 115.64 113.79 1dvx s THR 96 Ca -0.03 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.38 1dvx s THR 96 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1dvx s THR 96 CO -0.05 0.43 -0.21 0.00 -0.69 0.00 0.00 174.62 174.10 1dvx s ALA 97 N -0.31 1.77 -1.80 7.40 0.00 0.57 -4.80 121.76 124.59 1dvx s ALA 97 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1dvx s ALA 97 Cb -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1dvx s ALA 97 CO 0.19 0.39 0.00 0.09 0.00 0.00 0.00 175.76 176.43 1dvx n ASN 98 N 1.75 -4.62 0.03 0.00 3.02 -1.26 -2.29 115.26 111.89 1dvx n ASN 98 Ca -0.17 0.39 0.05 0.00 -0.03 0.00 0.00 54.58 54.82 1dvx n ASN 98 Cb 0.53 -4.13 0.25 0.00 -0.61 0.00 0.00 39.78 35.82 1dvx n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1dvx n ASP 99 N -1.07 0.12 -2.62 6.41 3.85 -1.26 -2.23 116.55 119.74 1dvx n ASP 99 Ca -0.18 0.54 -0.09 0.00 -0.71 0.00 0.00 54.79 54.35 1dvx n ASP 99 Cb 0.58 -0.56 0.04 0.00 -1.35 0.00 0.00 41.12 39.83 1dvx n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1dvx n SER 100 N -1.64 2.40 0.00 -1.12 3.41 -1.26 -5.10 113.62 110.32 1dvx n SER 100 Ca 0.02 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1dvx n SER 100 Cb 0.11 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1dvx n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvx n GLY 101 N -0.48 2.22 3.74 5.00 0.00 -0.95 -5.00 105.19 109.73 1dvx n GLY 101 Ca 0.17 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1dvx n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dvx s PRO 102 N -2.86 4.21 0.21 1.61 0.04 -1.26 -4.28 135.00 132.67 1dvx s PRO 102 Ca 0.00 2.41 0.03 0.00 0.04 0.00 0.00 61.00 63.48 1dvx s PRO 102 Cb 0.00 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1dvx s PRO 102 CO 0.00 -0.52 -0.00 1.03 0.04 0.00 0.00 177.00 177.55 1dvx s ARG 103 N -0.23 1.26 -0.19 4.56 1.81 -1.26 -4.90 118.95 120.00 1dvx s ARG 103 Ca 0.62 -1.63 -0.07 0.00 -1.72 0.00 0.00 55.73 52.93 1dvx s ARG 103 Cb -0.44 -0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 33.53 1dvx s ARG 103 CO 0.43 -0.11 0.05 1.03 -0.68 0.00 0.00 175.30 176.03 1dvx s ARG 104 N -3.88 3.88 -0.15 3.54 1.81 0.63 -4.83 118.95 119.95 1dvx s ARG 104 Ca 0.27 -0.39 0.01 0.00 -1.72 0.00 0.00 55.73 53.90 1dvx s ARG 104 Cb 0.06 -3.20 0.00 0.00 -0.45 0.00 0.00 34.95 31.36 1dvx s ARG 104 CO 0.07 0.19 -0.17 0.71 -0.68 0.00 0.00 175.30 175.42 1dvx s TYR 105 N 0.59 2.75 -0.27 -0.53 1.51 0.13 -0.61 117.35 120.92 1dvx s TYR 105 Ca 0.03 -1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 54.90 1dvx s TYR 105 Cb -0.13 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1dvx s TYR 105 CO 0.01 -0.53 -0.01 0.99 -1.11 0.00 0.00 175.55 174.91 1dvx s THR 106 N 0.83 3.24 -0.34 -0.71 2.01 -0.37 -0.37 115.64 119.94 1dvx s THR 106 Ca -0.05 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1dvx s THR 106 Cb -0.15 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 1dvx s THR 106 CO -0.01 0.12 0.21 -0.63 -0.69 0.00 0.00 174.62 173.62 1dvx s ILE 107 N 1.37 4.97 -0.04 1.82 -1.09 0.13 -1.33 121.20 127.04 1dvx s ILE 107 Ca 0.00 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1dvx s ILE 107 Cb -0.17 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1dvx s ILE 107 CO -0.02 -0.02 -0.09 0.00 -1.23 0.00 0.00 174.94 173.58 1dvx s ALA 108 N 1.67 2.90 -0.02 9.38 0.00 -0.27 -0.77 121.76 134.64 1dvx s ALA 108 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1dvx s ALA 108 Cb -0.17 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1dvx s ALA 108 CO 0.09 0.58 -0.04 0.00 0.00 0.00 0.00 175.76 176.38 1dvx s ALA 109 N -0.84 0.52 -0.20 0.00 0.00 0.22 -1.10 121.76 120.36 1dvx s ALA 109 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1dvx s ALA 109 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1dvx s ALA 109 CO 0.03 0.04 -0.04 -1.17 0.00 0.00 0.00 175.76 174.61 1dvx s LEU 110 N 0.48 2.97 -0.08 0.00 2.96 0.60 -0.69 118.68 124.92 1dvx s LEU 110 Ca -0.06 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1dvx s LEU 110 Cb -0.09 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1dvx s LEU 110 CO -0.00 0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.26 1dvx s LEU 111 N 1.20 3.35 0.08 -0.68 1.43 0.14 -1.42 118.68 122.78 1dvx s LEU 111 Ca 0.03 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1dvx s LEU 111 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1dvx s LEU 111 CO -0.01 0.37 -0.06 -0.44 0.23 0.00 0.00 176.35 176.44 1dvx s SER 112 N -0.83 0.94 0.27 2.29 0.01 0.53 -0.71 113.70 116.21 1dvx s SER 112 Ca 0.13 -0.96 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 1dvx s SER 112 Cb -0.11 0.12 0.51 0.00 0.21 0.00 0.00 66.02 66.74 1dvx s SER 112 CO 0.02 -0.48 1.84 -0.65 0.41 0.00 0.00 173.24 174.38 1dvx h PRO 113 N 3.15 0.98 -0.18 12.44 0.11 -1.99 -3.00 132.00 143.51 1dvx h PRO 113 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dvx h PRO 113 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1dvx h PRO 113 CO 0.63 0.65 0.00 0.66 -0.21 0.00 0.00 178.00 179.73 1dvx n TYR 114 N -4.61 0.39 -3.55 0.65 4.02 -1.26 -0.90 117.16 111.89 1dvx n TYR 114 Ca 0.18 -0.67 -0.15 0.00 -0.01 0.00 0.00 57.90 57.25 1dvx n TYR 114 Cb 0.31 -0.12 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1dvx n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvx s SER 115 N -1.53 -0.49 -0.02 7.72 0.15 -1.13 -4.95 113.70 113.45 1dvx s SER 115 Ca 0.23 0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.95 1dvx s SER 115 Cb 0.17 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1dvx s SER 115 CO 0.08 -0.71 0.45 -0.72 1.20 0.00 0.00 173.24 173.54 1dvx s TYR 116 N -2.26 -0.36 0.01 3.44 -0.85 -1.26 -0.35 117.35 115.73 1dvx s TYR 116 Ca -0.06 0.56 0.05 0.00 -0.52 0.00 0.00 57.07 57.10 1dvx s TYR 116 Cb -0.01 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 1dvx s TYR 116 CO -0.00 -0.49 -0.16 -1.12 -1.52 0.00 0.00 175.55 172.26 1dvx s SER 117 N -1.35 1.92 -0.01 -0.18 0.01 -0.51 -4.97 113.70 108.61 1dvx s SER 117 Ca -0.12 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1dvx s SER 117 Cb -0.03 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1dvx s SER 117 CO 0.06 0.15 -0.03 0.28 0.41 0.00 0.00 173.24 174.11 1dvx s THR 118 N -0.55 0.30 0.07 1.44 -1.32 -1.26 -0.29 115.64 114.03 1dvx s THR 118 Ca 0.05 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.45 1dvx s THR 118 Cb -0.07 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1dvx s THR 118 CO 0.00 0.11 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.55 1dvx s THR 119 N 0.21 0.66 -0.03 5.08 2.01 -0.26 -5.00 115.64 118.32 1dvx s THR 119 Ca -0.02 -1.45 0.07 0.00 0.31 0.00 0.00 61.69 60.60 1dvx s THR 119 Cb -0.05 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1dvx s THR 119 CO -0.00 -0.57 -0.24 0.00 -0.69 0.00 0.00 174.62 173.12 1dvx s ALA 120 N -2.27 2.22 -0.21 7.40 0.00 -1.26 -1.11 121.76 126.52 1dvx s ALA 120 Ca -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1dvx s ALA 120 Cb -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1dvx s ALA 120 CO -0.01 0.52 -0.16 0.08 0.00 0.00 0.00 175.76 176.19 1dvx s VAL 121 N -0.57 2.09 -0.23 0.00 1.01 -0.44 -4.99 120.40 117.27 1dvx s VAL 121 Ca 0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 1dvx s VAL 121 Cb -0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1dvx s VAL 121 CO -0.00 0.29 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 1dvx s VAL 122 N 1.21 3.85 0.11 2.92 1.01 -1.26 -1.23 120.40 127.01 1dvx s VAL 122 Ca -0.01 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1dvx s VAL 122 Cb -0.16 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1dvx s VAL 122 CO -0.10 0.39 -0.03 -0.89 0.00 0.00 0.00 175.10 174.47 1dvx s THR 123 N 1.47 3.77 -2.40 3.92 2.01 0.22 -4.95 115.64 119.68 1dvx s THR 123 Ca 0.05 -1.14 0.19 0.00 0.31 0.00 0.00 61.69 61.11 1dvx s THR 123 Cb -0.15 -2.80 0.15 0.00 0.01 0.00 0.00 72.50 69.71 1dvx s THR 123 CO 0.00 0.09 1.11 -3.20 -0.69 0.00 0.00 174.62 171.93