#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvx h PRO 11 N 0.00 0.00 -4.28 0.00 0.13 -1.89 -3.44 132.00 122.53 1dvx h PRO 11 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1dvx h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 1dvx h PRO 11 CO 0.00 0.00 -0.80 -1.17 -0.23 0.00 0.00 178.00 175.80 1dvx s LEU 12 N -5.81 1.29 0.03 1.56 2.96 -1.26 0.13 118.68 117.58 1dvx s LEU 12 Ca 0.06 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1dvx s LEU 12 Cb 0.08 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 1dvx s LEU 12 CO 0.60 -0.08 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.13 1dvx s MET 13 N 1.40 0.71 -0.05 1.98 -2.45 0.48 -4.40 119.30 116.96 1dvx s MET 13 Ca -0.01 -0.66 0.05 0.00 -1.25 0.00 0.00 55.69 53.81 1dvx s MET 13 Cb -0.13 -0.64 -0.00 0.00 1.25 0.00 0.00 34.83 35.30 1dvx s MET 13 CO -0.05 0.15 -0.19 0.08 1.05 0.00 0.00 175.02 176.06 1dvx s VAL 14 N -0.90 1.62 -0.07 10.11 1.01 -0.99 -0.32 120.40 130.85 1dvx s VAL 14 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1dvx s VAL 14 Cb -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1dvx s VAL 14 CO 0.01 0.46 -0.13 -0.75 0.00 0.00 0.00 175.10 174.69 1dvx s LYS 15 N 0.07 1.78 -0.09 2.72 2.20 0.06 -0.71 119.74 125.76 1dvx s LYS 15 Ca -0.06 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1dvx s LYS 15 Cb -0.13 -1.48 0.01 0.00 -1.51 0.00 0.00 37.83 34.72 1dvx s LYS 15 CO 0.03 0.01 -0.18 0.08 -0.36 0.00 0.00 175.35 174.94 1dvx s VAL 16 N 0.72 1.60 0.19 4.02 1.01 0.47 -0.73 120.40 127.68 1dvx s VAL 16 Ca -0.13 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1dvx s VAL 16 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1dvx s VAL 16 CO 0.03 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.63 1dvx s LEU 17 N 0.66 2.58 -0.30 3.92 2.01 0.10 -0.34 118.68 127.31 1dvx s LEU 17 Ca -0.13 -0.79 -0.07 0.00 0.01 0.00 0.00 54.13 53.15 1dvx s LEU 17 Cb -0.16 -1.30 0.01 0.00 0.01 0.00 0.00 46.19 44.75 1dvx s LEU 17 CO 0.04 0.12 0.10 -0.62 1.01 0.00 0.00 176.35 176.99 1dvx s ASP 18 N -2.70 5.21 0.02 2.29 -1.08 0.12 -0.44 116.67 120.08 1dvx s ASP 18 Ca 0.22 -0.71 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 1dvx s ASP 18 Cb -0.08 -1.90 1.16 0.00 -1.46 0.00 0.00 42.92 40.64 1dvx s ASP 18 CO 0.11 -0.20 1.88 0.00 0.52 0.00 0.00 175.17 177.48 1dvx n ALA 19 N 4.88 2.27 0.02 3.66 0.00 0.17 -1.50 120.51 130.02 1dvx n ALA 19 Ca -0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1dvx n ALA 19 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 0.96 -0.01 0.00 2.07 -1.94 -3.38 116.25 113.95 1dvx h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1dvx h VAL 20 Cb 0.50 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1dvx h VAL 20 CO 0.00 0.76 -0.74 0.54 0.02 0.00 0.00 177.57 178.16 1dvx n ARG 21 N -3.79 0.75 -3.22 1.57 1.74 -1.24 -4.99 116.66 107.47 1dvx n ARG 21 Ca -0.26 -0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 56.24 1dvx n ARG 21 Cb 0.96 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 31.02 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 1.43 -0.22 3.43 -0.13 0.00 -0.56 -5.02 105.19 104.12 1dvx n GLY 22 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.83 -0.01 0.63 1.61 1.04 -1.08 -5.00 113.70 107.06 1dvx s SER 23 Ca 0.15 -0.96 -0.17 0.00 0.48 0.00 0.00 55.95 55.45 1dvx s SER 23 Cb -0.07 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1dvx s SER 23 CO 0.59 -0.99 1.19 -2.84 0.98 0.00 0.00 173.24 172.16 1dvx s PRO 24 N -4.01 2.77 -0.53 4.02 0.02 -1.26 0.12 135.00 136.13 1dvx s PRO 24 Ca 0.22 1.73 -0.20 0.00 0.02 0.00 0.00 61.00 62.77 1dvx s PRO 24 Cb 0.02 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1dvx s PRO 24 CO 0.05 -1.34 0.70 0.00 -0.33 0.00 0.00 177.00 176.08 1dvx s ALA 25 N -1.82 3.34 0.19 -1.55 0.00 0.54 -4.55 121.76 117.90 1dvx s ALA 25 Ca 0.75 -1.70 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1dvx s ALA 25 Cb -0.28 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 1dvx s ALA 25 CO 0.37 -2.12 0.60 0.42 0.00 0.00 0.00 175.76 175.02 1dvx s ILE 26 N 2.91 4.80 -1.59 0.00 1.01 -1.26 -4.27 121.20 122.79 1dvx s ILE 26 Ca 0.18 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 1dvx s ILE 26 Cb -0.18 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1dvx s ILE 26 CO 0.13 0.14 0.55 0.59 0.00 0.00 0.00 174.94 176.35 1dvx n ASN 27 N 0.52 -6.15 -4.70 3.58 3.02 -0.36 -4.93 115.26 106.25 1dvx n ASN 27 Ca -0.03 -0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 53.87 1dvx n ASN 27 Cb 0.52 -4.98 -0.05 0.00 -0.61 0.00 0.00 39.78 34.65 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 -3.17 5.08 0.12 2.41 1.01 -1.26 -4.74 120.40 119.84 1dvx s VAL 28 Ca 0.27 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 1dvx s VAL 28 Cb -0.12 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1dvx s VAL 28 CO 0.34 0.22 1.15 0.00 0.00 0.00 0.00 175.10 176.81 1dvx s ALA 29 N 1.16 3.38 -0.07 5.51 0.00 -1.26 -1.34 121.76 129.14 1dvx s ALA 29 Ca 0.31 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1dvx s ALA 29 Cb -0.16 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1dvx s ALA 29 CO 0.13 -0.34 -0.14 0.08 0.00 0.00 0.00 175.76 175.49 1dvx s VAL 30 N 0.41 1.28 -0.08 0.00 1.01 0.66 -1.10 120.40 122.59 1dvx s VAL 30 Ca 0.54 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1dvx s VAL 30 Cb -0.30 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1dvx s VAL 30 CO 0.32 0.39 -0.23 -1.00 0.00 0.00 0.00 175.10 174.58 1dvx s HIS 31 N 0.58 2.37 -0.08 5.22 3.76 0.21 -1.24 115.29 126.12 1dvx s HIS 31 Ca -0.15 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 53.92 1dvx s HIS 31 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1dvx s HIS 31 CO 0.04 -0.33 -0.13 0.08 -0.85 0.00 0.00 174.74 173.56 1dvx s VAL 32 N 0.18 3.11 0.15 -0.90 1.01 0.23 0.08 120.40 124.26 1dvx s VAL 32 Ca -0.13 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1dvx s VAL 32 Cb -0.16 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1dvx s VAL 32 CO 0.06 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.23 1dvx s PHE 33 N -0.37 1.54 -0.04 5.22 0.40 0.31 -0.19 117.98 124.86 1dvx s PHE 33 Ca 0.04 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1dvx s PHE 33 Cb -0.12 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1dvx s PHE 33 CO 0.02 0.22 -0.20 0.50 0.70 0.00 0.00 175.22 176.47 1dvx s ARG 34 N -3.03 1.86 -0.07 0.44 3.52 -0.61 -0.78 118.95 120.28 1dvx s ARG 34 Ca 0.14 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 1dvx s ARG 34 Cb -0.03 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.66 1dvx s ARG 34 CO 0.04 0.34 1.27 0.21 -0.81 0.00 0.00 175.30 176.35 1dvx s LYS 35 N -0.18 4.31 0.82 5.12 2.20 -0.19 -1.46 119.74 130.35 1dvx s LYS 35 Ca 0.00 1.75 -0.11 0.00 -0.36 0.00 0.00 55.97 57.26 1dvx s LYS 35 Cb -0.11 -3.62 0.11 0.00 -1.51 0.00 0.00 37.83 32.71 1dvx s LYS 35 CO 0.01 -0.54 1.17 0.00 -0.36 0.00 0.00 175.35 175.63 1dvx s ALA 36 N 2.58 2.74 0.43 3.13 0.00 0.18 -4.72 121.76 126.09 1dvx s ALA 36 Ca 0.58 -0.97 0.15 0.00 0.00 0.00 0.00 51.96 51.72 1dvx s ALA 36 Cb -0.26 -2.74 1.04 0.00 0.00 0.00 0.00 23.12 21.17 1dvx s ALA 36 CO 0.22 -1.79 1.94 0.00 0.00 0.00 0.00 175.76 176.12 1dvx h ALA 37 N -1.07 2.09 -0.43 0.00 0.00 -1.95 -1.34 119.26 116.56 1dvx h ALA 37 Ca -0.44 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1dvx h ALA 37 Cb 1.29 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1dvx h ALA 37 CO 0.54 -0.27 0.20 -0.40 0.00 0.00 0.00 179.25 179.32 1dvx n ASP 38 N -4.47 3.42 -2.36 0.00 5.75 -1.26 -4.87 116.55 112.76 1dvx n ASP 38 Ca 0.13 -2.69 -0.20 0.00 -0.01 0.00 0.00 54.79 52.02 1dvx n ASP 38 Cb 0.49 -0.64 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.07 -5.79 -4.63 -1.12 8.00 -0.50 -4.99 116.55 107.45 1dvx n ASP 39 Ca 0.24 0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 1dvx n ASP 39 Cb 0.96 -4.84 -0.09 0.00 -0.02 0.00 0.00 41.12 37.13 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 -3.00 3.75 -0.41 -3.53 2.01 -1.25 -4.87 115.64 108.33 1dvx s THR 40 Ca 0.00 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 60.83 1dvx s THR 40 Cb 0.00 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1dvx s THR 40 CO 0.00 0.24 0.77 0.26 -0.69 0.00 0.00 174.62 175.20 1dvx s TRP 41 N -1.16 3.05 -0.13 4.92 0.52 -1.26 0.49 118.94 125.38 1dvx s TRP 41 Ca 0.21 0.34 -0.06 0.00 0.02 0.00 0.00 56.10 56.60 1dvx s TRP 41 Cb -0.11 -3.51 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 1dvx s TRP 41 CO 0.13 -0.85 0.09 -1.83 0.02 0.00 0.00 176.95 174.51 1dvx s GLU 42 N 3.16 3.52 0.25 4.98 -1.05 -0.53 -4.89 118.70 124.14 1dvx s GLU 42 Ca 0.30 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.58 1dvx s GLU 42 Cb -0.13 -3.13 -0.14 0.00 -0.44 0.00 0.00 34.13 30.29 1dvx s GLU 42 CO 0.20 0.62 1.13 -2.30 0.95 0.00 0.00 175.26 175.86 1dvx n PRO 43 N 2.48 1.44 0.00 -4.83 -0.02 -1.26 -1.58 135.00 131.23 1dvx n PRO 43 Ca -0.19 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1dvx n PRO 43 Cb 0.54 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.89 0.00 -3.56 6.00 7.35 0.74 -4.76 117.46 124.12 1dvx n PHE 44 Ca 0.11 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.74 1dvx n PHE 44 Cb 0.30 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.11 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 -1.99 -1.91 0.20 3.13 0.00 -0.84 -4.99 121.76 115.35 1dvx s ALA 45 Ca 0.00 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 1dvx s ALA 45 Cb 0.00 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1dvx s ALA 45 CO 0.00 -0.70 0.66 -1.54 0.00 0.00 0.00 175.76 174.18 1dvx s SER 46 N -2.44 -0.45 0.00 0.00 1.04 -1.26 0.76 113.70 111.35 1dvx s SER 46 Ca 0.07 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1dvx s SER 46 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1dvx s SER 46 CO -0.07 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1dvx n GLY 47 N -0.41 -1.27 3.11 7.32 0.00 -0.37 -5.01 105.19 108.57 1dvx n GLY 47 Ca -0.12 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.37 0.94 0.55 1.61 1.02 -1.26 -0.24 119.74 121.99 1dvx s LYS 48 Ca 0.00 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.19 1dvx s LYS 48 Cb 0.00 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 1dvx s LYS 48 CO 0.00 0.24 1.26 0.95 -0.92 0.00 0.00 175.35 176.88 1dvx s THR 49 N -0.58 2.50 0.00 2.17 -4.23 -0.45 -4.78 115.64 110.27 1dvx s THR 49 Ca 0.03 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1dvx s THR 49 Cb -0.06 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1dvx s THR 49 CO 0.00 -0.03 0.00 -1.54 -0.54 0.00 0.00 174.62 172.51 1dvx n SER 50 N -1.19 0.00 0.28 3.99 3.41 0.64 -1.22 113.62 119.53 1dvx n SER 50 Ca 0.11 -0.95 0.14 0.00 -0.26 0.00 0.00 58.87 57.91 1dvx n SER 50 Cb 0.48 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.29 4.33 4.39 -1.94 0.44 114.58 121.51 1dvx h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1dvx h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1dvx h GLU 51 CO 0.00 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 176.78 1dvx n SER 52 N -3.68 2.11 -0.34 1.42 3.41 -1.26 -4.76 113.62 110.51 1dvx n SER 52 Ca -0.02 -1.86 -0.04 0.00 -0.26 0.00 0.00 58.87 56.68 1dvx n SER 52 Cb 0.17 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.19 0.71 3.62 5.00 0.00 0.15 -4.80 105.19 111.05 1dvx n GLY 53 Ca 0.16 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.88 2.24 -0.19 1.61 2.02 -1.26 -0.39 118.70 120.85 1dvx s GLU 54 Ca 0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 1dvx s GLU 54 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 32.06 1dvx s GLU 54 CO 0.00 0.42 0.01 -1.17 0.02 0.00 0.00 175.26 174.54 1dvx s LEU 55 N -3.12 1.44 0.45 1.80 2.96 0.11 -0.26 118.68 122.06 1dvx s LEU 55 Ca 0.28 -0.84 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1dvx s LEU 55 Cb -0.08 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 1dvx s LEU 55 CO 0.18 -0.28 0.26 -1.00 -1.32 0.00 0.00 176.35 174.19 1dvx s HIS 56 N 1.76 2.38 -1.48 5.38 3.76 -1.26 -2.36 115.29 123.48 1dvx s HIS 56 Ca -0.01 -0.64 -0.04 0.00 -0.15 0.00 0.00 55.06 54.21 1dvx s HIS 56 Cb -0.17 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1dvx s HIS 56 CO -0.07 -0.02 0.54 0.41 -0.85 0.00 0.00 174.74 174.74 1dvx n GLY 57 N -1.42 -0.44 0.15 -2.22 0.00 -1.26 -4.91 105.19 95.09 1dvx n GLY 57 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.23 0.32 0.00 0.99 3.38 -1.86 -3.48 115.31 113.43 1dvx h LEU 58 Ca -0.50 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 1dvx h LEU 58 Cb 1.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1dvx h LEU 58 CO 0.54 0.99 0.09 1.07 0.09 0.00 0.00 178.44 181.21 1dvx n THR 59 N -3.74 0.00 -4.41 0.22 5.66 -1.26 -4.80 114.28 105.95 1dvx n THR 59 Ca -0.04 -0.70 -0.21 0.00 -3.05 0.00 0.00 64.05 60.06 1dvx n THR 59 Cb 0.75 0.58 -0.10 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.54 1.66 0.45 1.09 -4.23 -1.26 -4.58 115.64 106.23 1dvx s THR 60 Ca 0.11 -2.14 0.13 0.00 -1.18 0.00 0.00 61.69 58.61 1dvx s THR 60 Cb -0.02 -2.37 0.21 0.00 1.34 0.00 0.00 72.50 71.65 1dvx s THR 60 CO 0.08 -0.35 2.03 -0.33 -0.54 0.00 0.00 174.62 175.51 1dvx h GLU 61 N 2.33 0.09 -0.31 3.99 5.08 -1.98 0.05 114.58 123.82 1dvx h GLU 61 Ca -0.40 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1dvx h GLU 61 Cb 1.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1dvx h GLU 61 CO 0.66 0.18 -0.08 1.49 -1.00 0.00 0.00 179.01 180.26 1dvx h GLU 62 N 0.09 0.60 0.01 2.33 4.57 -2.04 -3.24 114.58 116.90 1dvx h GLU 62 Ca 0.02 -0.23 -0.21 0.00 -1.18 0.00 0.00 59.36 57.76 1dvx h GLU 62 Cb 0.21 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1dvx h GLU 62 CO 0.01 0.79 -0.98 0.37 -1.18 0.00 0.00 179.01 178.02 1dvx h GLN 63 N 0.38 0.04 -4.36 1.92 4.15 -1.88 -3.40 115.11 111.96 1dvx h GLN 63 Ca 0.08 -0.06 -0.71 0.00 0.77 0.00 0.00 58.65 58.73 1dvx h GLN 63 Cb 0.57 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 1dvx h GLN 63 CO 0.03 0.98 2.94 0.34 -1.93 0.00 0.00 178.83 181.19 1dvx n PHE 64 N -3.43 3.75 -2.19 3.99 7.35 -0.03 -4.96 117.46 121.94 1dvx n PHE 64 Ca -0.01 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.46 1dvx n PHE 64 Cb 0.91 -2.56 0.06 0.00 0.35 0.00 0.00 39.48 38.23 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 3.35 2.73 0.55 -2.13 -7.23 -1.26 -4.92 120.40 111.48 1dvx s VAL 65 Ca 0.48 -0.10 -0.20 0.00 -1.81 0.00 0.00 61.98 60.36 1dvx s VAL 65 Cb 0.12 -3.17 -0.07 0.00 0.56 0.00 0.00 36.38 33.83 1dvx s VAL 65 CO -0.06 -0.18 0.96 -0.62 -0.31 0.00 0.00 175.10 174.89 1dvx n GLU 66 N -2.88 1.03 -3.58 4.82 1.02 -1.26 -4.88 120.64 114.91 1dvx n GLU 66 Ca 0.07 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1dvx n GLU 66 Cb 0.59 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 1.28 -2.30 3.62 0.62 0.00 -1.20 -4.98 105.19 102.23 1dvx n GLY 67 Ca 0.12 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.07 4.88 0.16 -0.61 1.01 -1.26 -0.89 121.20 122.42 1dvx s ILE 68 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.76 1dvx s ILE 68 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1dvx s ILE 68 CO 0.00 0.42 -0.22 -0.31 0.00 0.00 0.00 174.94 174.83 1dvx s TYR 69 N 0.67 2.38 -0.12 3.97 1.51 0.58 -1.03 117.35 125.31 1dvx s TYR 69 Ca 0.05 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1dvx s TYR 69 Cb -0.13 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1dvx s TYR 69 CO 0.01 0.43 -0.11 0.21 -1.11 0.00 0.00 175.55 174.98 1dvx s LYS 70 N -2.39 1.92 -0.27 -0.62 2.20 0.04 -1.21 119.74 119.40 1dvx s LYS 70 Ca 0.18 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 55.29 1dvx s LYS 70 Cb -0.09 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.41 1dvx s LYS 70 CO 0.09 -0.20 0.11 0.08 -0.36 0.00 0.00 175.35 175.07 1dvx s VAL 71 N 1.43 4.49 -0.21 4.02 1.01 0.13 -0.53 120.40 130.73 1dvx s VAL 71 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1dvx s VAL 71 Cb -0.13 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1dvx s VAL 71 CO -0.07 0.23 -0.03 -0.70 0.00 0.00 0.00 175.10 174.53 1dvx s GLU 72 N 1.62 3.47 -0.28 2.72 2.12 0.11 -0.36 118.70 128.10 1dvx s GLU 72 Ca 0.06 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1dvx s GLU 72 Cb -0.16 -3.03 -0.00 0.00 0.26 0.00 0.00 34.13 31.20 1dvx s GLU 72 CO 0.05 -0.11 0.08 0.42 -0.54 0.00 0.00 175.26 175.16 1dvx s ILE 73 N 1.28 4.05 -1.17 -3.70 1.01 0.82 -0.62 121.20 122.89 1dvx s ILE 73 Ca 0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 1dvx s ILE 73 Cb -0.14 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1dvx s ILE 73 CO -0.01 0.16 1.91 -0.67 0.00 0.00 0.00 174.94 176.33 1dvx n ASP 74 N 4.89 3.54 0.04 3.58 2.03 -0.25 -1.22 116.55 129.15 1dvx n ASP 74 Ca -0.15 -2.77 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 1dvx n ASP 74 Cb 0.49 -1.62 0.08 0.00 -0.72 0.00 0.00 41.12 39.35 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 5.50 1.35 0.00 5.18 1.35 -1.87 -3.22 112.91 121.20 1dvx h THR 75 Ca 0.35 -1.88 0.03 0.00 -0.55 0.00 0.00 66.41 64.36 1dvx h THR 75 Cb 0.84 1.88 -0.04 0.00 -1.73 0.00 0.00 68.15 69.11 1dvx h THR 75 CO 1.48 0.57 -0.18 0.50 -0.25 0.00 0.00 175.52 177.64 1dvx h LYS 76 N 0.32 -0.29 -0.68 4.72 3.64 -1.72 -1.63 116.57 120.93 1dvx h LYS 76 Ca -0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1dvx h LYS 76 Cb 1.11 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1dvx h LYS 76 CO 0.10 -0.19 0.45 0.77 -2.27 0.00 0.00 179.45 178.30 1dvx h SER 77 N -0.30 0.71 0.07 4.20 0.02 -1.86 -1.15 113.55 115.24 1dvx h SER 77 Ca 0.06 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1dvx h SER 77 Cb 0.37 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1dvx h SER 77 CO -0.17 0.50 -0.03 0.22 -1.14 0.00 0.00 176.83 176.20 1dvx h TYR 78 N 0.83 -0.09 -0.49 3.45 3.20 -1.39 -2.24 116.97 120.25 1dvx h TYR 78 Ca 0.27 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.01 1dvx h TYR 78 Cb 0.04 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1dvx h TYR 78 CO -0.00 0.00 -0.19 -1.49 -1.64 0.00 0.00 178.16 174.84 1dvx h TRP 79 N -0.15 1.13 -0.68 -3.82 4.06 -0.95 -3.01 115.95 112.53 1dvx h TRP 79 Ca -0.01 -0.26 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1dvx h TRP 79 Cb 0.12 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1dvx h TRP 79 CO -0.05 1.08 0.42 0.87 -3.56 0.00 0.00 178.44 177.20 1dvx h LYS 80 N 0.86 0.90 0.00 0.49 1.57 -1.15 -0.20 116.57 119.04 1dvx h LYS 80 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1dvx h LYS 80 Cb 0.76 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1dvx h LYS 80 CO 0.06 0.62 -0.03 0.00 -0.57 0.00 0.00 179.45 179.54 1dvx h ALA 81 N 1.54 1.07 -0.23 3.86 0.00 -1.26 -0.77 119.26 123.47 1dvx h ALA 81 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dvx h ALA 81 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dvx h ALA 81 CO -0.05 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1dvx n LEU 82 N -3.22 3.09 -0.00 0.00 4.77 -0.19 -4.94 117.00 116.51 1dvx n LEU 82 Ca -0.02 -1.22 -0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1dvx n LEU 82 Cb 0.19 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1dvx n LEU 82 CO 0.25 0.61 -0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1dvx n GLY 83 N 1.41 0.38 3.32 -0.72 0.00 -0.29 -5.04 105.19 104.24 1dvx n GLY 83 Ca 0.17 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 2.51 -0.46 -0.61 1.01 -0.61 -5.01 121.20 116.03 1dvx s ILE 84 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.53 1dvx s ILE 84 Cb 0.00 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1dvx s ILE 84 CO 0.00 0.56 0.84 -0.94 0.00 0.00 0.00 174.94 175.40 1dvx s SER 85 N 0.06 6.44 0.75 3.58 1.04 -1.26 -3.17 113.70 121.13 1dvx s SER 85 Ca -0.08 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 1dvx s SER 85 Cb -0.15 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.61 1dvx s SER 85 CO 0.05 -0.98 1.12 -2.16 0.98 0.00 0.00 173.24 172.25 1dvx s PRO 86 N 3.49 2.34 -0.20 4.02 0.04 -1.26 -4.93 135.00 138.51 1dvx s PRO 86 Ca 0.32 0.18 -0.21 0.00 0.04 0.00 0.00 61.00 61.33 1dvx s PRO 86 Cb -0.11 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 1dvx s PRO 86 CO 0.24 -1.31 0.22 0.35 0.04 0.00 0.00 177.00 176.53 1dvx h PHE 87 N -0.82 0.00 -3.98 0.56 3.57 -1.35 -3.48 116.94 111.44 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 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1dvx h PHE 87 CO 0.39 1.34 0.36 -1.01 -2.23 0.00 0.00 178.31 177.15 1dvx s HIS 88 N -2.34 3.42 0.20 0.41 3.76 -1.26 -4.97 115.29 114.52 1dvx s HIS 88 Ca -0.27 1.68 -0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1dvx s HIS 88 Cb 0.05 -2.93 0.15 0.00 1.11 0.00 0.00 32.58 30.96 1dvx s HIS 88 CO 0.57 -0.12 1.51 0.93 -0.85 0.00 0.00 174.74 176.78 1dvx h GLU 89 N 2.43 0.45 -1.69 1.40 4.39 -1.98 -3.36 114.58 116.22 1dvx h GLU 89 Ca -0.48 -0.29 0.33 0.00 0.34 0.00 0.00 59.36 59.25 1dvx h GLU 89 Cb 1.19 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.78 1dvx h GLU 89 CO 0.62 0.90 0.84 -3.38 -1.16 0.00 0.00 179.01 176.84 1dvx s HIS 90 N -3.89 -0.02 -0.11 4.33 -3.43 -1.26 -3.70 115.29 107.22 1dvx s HIS 90 Ca -0.06 -0.10 -0.00 0.00 -0.80 0.00 0.00 55.06 54.09 1dvx s HIS 90 Cb 0.11 0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1dvx s HIS 90 CO 0.83 -0.30 -0.08 0.00 -2.00 0.00 0.00 174.74 173.18 1dvx s ALA 91 N -2.30 2.86 -0.03 -1.38 0.00 -0.36 -4.89 121.76 115.66 1dvx s ALA 91 Ca 0.19 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1dvx s ALA 91 Cb 0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1dvx s ALA 91 CO -0.03 0.39 -0.22 -1.21 0.00 0.00 0.00 175.76 174.69 1dvx s GLU 92 N -0.17 2.01 -0.18 0.00 2.02 -1.26 -0.13 118.70 121.00 1dvx s GLU 92 Ca 0.01 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1dvx s GLU 92 Cb -0.13 -1.82 0.04 0.00 0.10 0.00 0.00 34.13 32.32 1dvx s GLU 92 CO 0.03 0.40 -0.09 0.08 0.02 0.00 0.00 175.26 175.70 1dvx s VAL 93 N -0.30 1.42 -0.15 2.63 1.01 0.52 -4.96 120.40 120.58 1dvx s VAL 93 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1dvx s VAL 93 Cb -0.11 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 1dvx s VAL 93 CO 0.01 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 174.45 1dvx s VAL 94 N 1.50 2.73 0.19 2.92 1.01 -1.26 0.17 120.40 127.66 1dvx s VAL 94 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1dvx s VAL 94 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1dvx s VAL 94 CO -0.08 0.52 0.42 0.72 0.00 0.00 0.00 175.10 176.67 1dvx s PHE 95 N 0.68 0.19 -0.23 5.22 -0.71 -0.35 -4.99 117.98 117.79 1dvx s PHE 95 Ca -0.07 -0.55 -0.09 0.00 -1.04 0.00 0.00 56.93 55.18 1dvx s PHE 95 Cb -0.16 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1dvx s PHE 95 CO 0.02 -0.86 0.12 0.99 -1.34 0.00 0.00 175.22 174.15 1dvx s THR 96 N -3.94 4.96 -0.37 -4.49 2.01 -1.26 -0.31 115.64 112.24 1dvx s THR 96 Ca 0.15 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 1dvx s THR 96 Cb 0.01 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.23 1dvx s THR 96 CO 0.01 0.37 0.95 0.00 -0.69 0.00 0.00 174.62 175.25 1dvx s ALA 97 N 1.06 3.40 -0.04 7.40 0.00 -0.07 -4.92 121.76 128.59 1dvx s ALA 97 Ca 0.06 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1dvx s ALA 97 Cb -0.14 -3.57 -0.22 0.00 0.00 0.00 0.00 23.12 19.19 1dvx s ALA 97 CO 0.04 -1.63 1.08 -0.97 0.00 0.00 0.00 175.76 174.28 1dvx h ASN 98 N 8.48 0.18 -4.80 0.00 -1.24 -1.95 -3.17 115.58 113.08 1dvx h ASN 98 Ca -0.23 -0.71 -0.12 0.00 0.71 0.00 0.00 56.30 55.95 1dvx h ASN 98 Cb 1.08 -0.06 0.09 0.00 0.73 0.00 0.00 38.32 40.16 1dvx h ASN 98 CO 0.99 0.87 -0.40 -0.67 -1.29 0.00 0.00 177.43 176.93 1dvx n ASP 99 N -4.58 -5.78 -3.21 1.15 -0.08 -1.26 -4.83 116.55 97.97 1dvx n ASP 99 Ca -0.09 -0.35 -0.24 0.00 -1.51 0.00 0.00 54.79 52.59 1dvx n ASP 99 Cb 0.44 -4.08 -0.07 0.00 2.34 0.00 0.00 41.12 39.75 1dvx n ASP 99 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1dvx n SER 100 N -2.34 0.50 0.00 1.67 7.64 -1.26 -5.04 113.62 114.79 1dvx n SER 100 Ca -0.03 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.09 1dvx n SER 100 Cb 0.56 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1dvx n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dvx n GLY 101 N 1.36 2.99 3.52 0.23 0.00 -1.26 -4.95 105.19 107.07 1dvx n GLY 101 Ca 0.22 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1dvx n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dvx n PRO 102 N -0.21 1.13 -4.30 1.61 -0.02 -1.26 -4.93 135.00 127.02 1dvx n PRO 102 Ca 0.00 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.45 1dvx n PRO 102 Cb 0.00 -2.86 -0.17 0.00 -0.02 0.00 0.00 33.50 30.45 1dvx n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dvx s ARG 103 N 7.29 1.37 -0.12 -0.52 0.52 -1.26 -4.90 118.95 121.33 1dvx s ARG 103 Ca 1.07 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.97 1dvx s ARG 103 Cb -0.56 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1dvx s ARG 103 CO 0.38 -0.07 0.01 1.03 0.02 0.00 0.00 175.30 176.67 1dvx s ARG 104 N 0.98 3.39 -0.21 3.54 1.81 0.15 -4.86 118.95 123.75 1dvx s ARG 104 Ca -0.09 -0.40 -0.05 0.00 -1.72 0.00 0.00 55.73 53.47 1dvx s ARG 104 Cb -0.15 -2.94 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 1dvx s ARG 104 CO 0.00 0.51 -0.01 0.71 -0.68 0.00 0.00 175.30 175.83 1dvx s TYR 105 N -0.34 3.01 -0.24 -0.53 1.51 0.34 -2.16 117.35 118.93 1dvx s TYR 105 Ca 0.07 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1dvx s TYR 105 Cb -0.12 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1dvx s TYR 105 CO 0.02 -0.35 -0.07 0.99 -1.11 0.00 0.00 175.55 175.03 1dvx s THR 106 N 1.20 2.81 -0.36 -0.71 2.01 -0.37 -0.39 115.64 119.83 1dvx s THR 106 Ca 0.03 -1.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1dvx s THR 106 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1dvx s THR 106 CO 0.01 0.21 0.23 -0.63 -0.69 0.00 0.00 174.62 173.74 1dvx s ILE 107 N 1.31 4.96 -0.02 1.82 -1.09 0.56 -0.78 121.20 127.96 1dvx s ILE 107 Ca 0.00 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1dvx s ILE 107 Cb -0.17 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1dvx s ILE 107 CO -0.05 -0.11 -0.05 0.00 -1.23 0.00 0.00 174.94 173.50 1dvx s ALA 108 N 1.65 3.07 -0.03 9.38 0.00 -0.34 -0.76 121.76 134.73 1dvx s ALA 108 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1dvx s ALA 108 Cb -0.18 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1dvx s ALA 108 CO 0.09 0.61 -0.04 0.00 0.00 0.00 0.00 175.76 176.42 1dvx s ALA 109 N -0.95 0.52 -0.21 0.00 0.00 0.09 -1.33 121.76 119.87 1dvx s ALA 109 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 1dvx s ALA 109 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1dvx s ALA 109 CO 0.06 0.01 -0.00 -1.17 0.00 0.00 0.00 175.76 174.66 1dvx s LEU 110 N 0.65 3.19 -0.10 0.00 2.96 0.57 -0.72 118.68 125.22 1dvx s LEU 110 Ca -0.08 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1dvx s LEU 110 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1dvx s LEU 110 CO -0.00 0.03 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.28 1dvx s LEU 111 N 1.18 3.45 0.11 -0.68 1.43 0.41 -1.57 118.68 123.01 1dvx s LEU 111 Ca 0.03 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1dvx s LEU 111 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1dvx s LEU 111 CO 0.01 0.32 -0.08 -0.44 0.23 0.00 0.00 176.35 176.39 1dvx s SER 112 N -0.53 1.39 0.25 2.29 0.01 0.45 -0.66 113.70 116.90 1dvx s SER 112 Ca 0.09 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.35 1dvx s SER 112 Cb -0.12 0.05 0.44 0.00 0.21 0.00 0.00 66.02 66.60 1dvx s SER 112 CO 0.02 -0.39 1.80 -0.65 0.41 0.00 0.00 173.24 174.43 1dvx h PRO 113 N 3.03 0.73 -0.26 12.44 0.11 -1.99 -2.93 132.00 143.13 1dvx h PRO 113 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dvx h PRO 113 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1dvx h PRO 113 CO 0.62 0.48 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 1dvx n TYR 114 N -4.78 0.60 -3.53 0.65 4.02 -1.26 -0.86 117.16 111.99 1dvx n TYR 114 Ca 0.15 -0.69 -0.14 0.00 -0.01 0.00 0.00 57.90 57.20 1dvx n TYR 114 Cb 0.33 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.52 -0.51 -0.03 7.72 0.15 -1.11 -4.96 113.70 113.44 1dvx s SER 115 Ca 0.30 0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 1dvx s SER 115 Cb 0.21 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 1dvx s SER 115 CO 0.11 -0.75 0.48 -0.72 1.20 0.00 0.00 173.24 173.56 1dvx s TYR 116 N -2.44 -0.41 0.03 3.44 -0.85 -1.26 -0.41 117.35 115.45 1dvx s TYR 116 Ca -0.05 0.68 0.06 0.00 -0.52 0.00 0.00 57.07 57.24 1dvx s TYR 116 Cb -0.01 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 1dvx s TYR 116 CO -0.02 -0.49 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.23 1dvx s SER 117 N -1.23 2.09 -0.01 -0.18 0.01 -0.61 -4.97 113.70 108.81 1dvx s SER 117 Ca -0.12 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1dvx s SER 117 Cb -0.03 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1dvx s SER 117 CO 0.07 0.13 -0.01 0.28 0.41 0.00 0.00 173.24 174.11 1dvx s THR 118 N -0.72 0.13 0.05 1.44 -1.32 -1.26 -0.31 115.64 113.65 1dvx s THR 118 Ca 0.05 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1dvx s THR 118 Cb -0.08 -0.14 -0.03 0.00 -1.51 0.00 0.00 72.50 70.74 1dvx s THR 118 CO 0.01 0.05 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.51 1dvx s THR 119 N 0.14 0.53 -0.10 5.08 2.01 -0.44 -5.00 115.64 117.87 1dvx s THR 119 Ca -0.01 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 60.73 1dvx s THR 119 Cb -0.03 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1dvx s THR 119 CO -0.00 -0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 173.24 1dvx s ALA 120 N -1.97 2.52 -0.29 7.40 0.00 -1.26 -1.19 121.76 126.96 1dvx s ALA 120 Ca -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1dvx s ALA 120 Cb -0.06 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 22.08 1dvx s ALA 120 CO -0.01 0.36 -0.02 0.08 0.00 0.00 0.00 175.76 176.17 1dvx s VAL 121 N -0.01 2.85 -0.32 0.00 1.01 0.04 -4.97 120.40 118.99 1dvx s VAL 121 Ca -0.05 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 1dvx s VAL 121 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1dvx s VAL 121 CO 0.04 -0.09 0.10 -0.69 0.00 0.00 0.00 175.10 174.46 1dvx s VAL 122 N 1.23 3.95 0.00 2.92 1.01 -1.26 -1.23 120.40 127.01 1dvx s VAL 122 Ca -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1dvx s VAL 122 Cb -0.20 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1dvx s VAL 122 CO -0.02 -0.07 0.28 0.35 0.00 0.00 0.00 175.10 175.64