#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvt h PRO 11 N 0.00 0.00 -4.08 0.00 0.11 -1.90 -3.44 132.00 122.69 1dvt h PRO 11 Ca 0.00 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.67 1dvt h PRO 11 Cb 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 30.76 1dvt h PRO 11 CO 0.00 0.20 -0.78 -1.17 -0.21 0.00 0.00 178.00 176.04 1dvt s LEU 12 N -6.99 1.26 0.02 2.35 2.96 -1.26 0.79 118.68 117.81 1dvt s LEU 12 Ca -0.01 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1dvt s LEU 12 Cb 0.11 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1dvt s LEU 12 CO 0.62 -0.07 -0.08 -0.32 -1.32 0.00 0.00 176.35 175.18 1dvt s MET 13 N 1.11 0.60 -0.05 1.98 -2.45 0.74 -4.44 119.30 116.80 1dvt s MET 13 Ca -0.08 -0.52 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 1dvt s MET 13 Cb -0.14 -0.52 -0.01 0.00 1.25 0.00 0.00 34.83 35.41 1dvt s MET 13 CO -0.01 0.13 -0.21 0.08 1.05 0.00 0.00 175.02 176.05 1dvt s VAL 14 N -0.73 1.77 -0.05 10.11 1.01 -0.99 -0.22 120.40 131.30 1dvt s VAL 14 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1dvt s VAL 14 Cb -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1dvt s VAL 14 CO 0.00 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.77 1dvt s LYS 15 N -0.09 1.13 -0.08 2.72 2.20 0.12 -0.57 119.74 125.16 1dvt s LYS 15 Ca -0.03 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.37 1dvt s LYS 15 Cb -0.13 -1.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.18 1dvt s LYS 15 CO 0.03 -0.01 -0.17 0.08 -0.36 0.00 0.00 175.35 174.92 1dvt s VAL 16 N 0.69 1.50 0.17 4.02 1.01 0.37 -0.78 120.40 127.38 1dvt s VAL 16 Ca -0.11 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.29 1dvt s VAL 16 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1dvt s VAL 16 CO 0.01 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 1dvt s LEU 17 N 0.60 2.44 -0.31 3.92 1.43 -0.20 -0.45 118.68 126.10 1dvt s LEU 17 Ca -0.15 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.06 1dvt s LEU 17 Cb -0.16 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1dvt s LEU 17 CO 0.05 0.14 0.15 -0.62 0.23 0.00 0.00 176.35 176.31 1dvt s ASP 18 N -2.44 5.57 0.04 2.29 -1.08 0.13 -0.55 116.67 120.63 1dvt s ASP 18 Ca 0.18 -0.52 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 1dvt s ASP 18 Cb -0.09 -2.01 1.03 0.00 -1.46 0.00 0.00 42.92 40.39 1dvt s ASP 18 CO 0.09 -0.19 1.81 0.00 0.52 0.00 0.00 175.17 177.39 1dvt n ALA 19 N 4.99 2.52 0.05 3.66 0.00 0.05 -1.84 120.51 129.94 1dvt n ALA 19 Ca -0.14 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1dvt n ALA 19 Cb 0.49 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 1dvt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvt h VAL 20 N 0.00 0.83 -0.01 0.00 2.07 -1.94 -3.38 116.25 113.82 1dvt h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1dvt h VAL 20 Cb 0.55 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1dvt h VAL 20 CO 0.00 0.87 -0.37 0.54 0.02 0.00 0.00 177.57 178.63 1dvt n ARG 21 N -3.54 1.55 -3.36 1.57 1.74 -1.25 -4.99 116.66 108.38 1dvt n ARG 21 Ca -0.27 -0.87 -0.18 0.00 -0.77 0.00 0.00 57.85 55.76 1dvt n ARG 21 Cb 1.07 -1.33 0.08 0.00 -1.02 0.00 0.00 32.46 31.25 1dvt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvt n GLY 22 N 1.22 -0.32 3.43 -0.13 0.00 -0.77 -5.01 105.19 103.62 1dvt n GLY 22 Ca 0.07 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1dvt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvt s SER 23 N -3.79 0.00 0.60 1.61 1.04 -1.10 -5.00 113.70 107.06 1dvt s SER 23 Ca 0.23 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.42 1dvt s SER 23 Cb -0.10 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1dvt s SER 23 CO 0.65 -1.01 1.15 -2.84 0.98 0.00 0.00 173.24 172.17 1dvt s PRO 24 N -4.05 2.99 -0.56 4.02 0.02 -1.26 0.20 135.00 136.35 1dvt s PRO 24 Ca 0.27 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 1dvt s PRO 24 Cb 0.02 -1.95 0.07 0.00 0.02 0.00 0.00 34.50 32.66 1dvt s PRO 24 CO 0.09 -1.14 0.77 0.00 -0.33 0.00 0.00 177.00 176.38 1dvt s ALA 25 N -1.88 3.30 0.22 -1.55 0.00 0.40 -4.56 121.76 117.69 1dvt s ALA 25 Ca 0.73 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1dvt s ALA 25 Cb -0.25 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1dvt s ALA 25 CO 0.34 -2.29 0.61 0.42 0.00 0.00 0.00 175.76 174.84 1dvt s ILE 26 N 3.16 4.80 -1.61 0.00 1.01 -1.26 -4.29 121.20 123.01 1dvt s ILE 26 Ca 0.19 0.80 -0.03 0.00 0.00 0.00 0.00 60.65 61.60 1dvt s ILE 26 Cb -0.18 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1dvt s ILE 26 CO 0.12 0.04 0.43 0.59 0.00 0.00 0.00 174.94 176.12 1dvt n ASN 27 N 0.23 -6.00 -4.71 3.58 3.02 -0.62 -4.93 115.26 105.83 1dvt n ASN 27 Ca -0.01 -0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 53.94 1dvt n ASN 27 Cb 0.52 -4.89 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 1dvt n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvt s VAL 28 N -3.13 5.10 0.15 2.41 1.01 -1.26 -4.75 120.40 119.93 1dvt s VAL 28 Ca 0.22 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1dvt s VAL 28 Cb -0.10 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1dvt s VAL 28 CO 0.27 0.25 1.13 0.00 0.00 0.00 0.00 175.10 176.75 1dvt s ALA 29 N 0.98 3.37 -0.07 5.51 0.00 -1.26 -1.17 121.76 129.13 1dvt s ALA 29 Ca 0.30 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.11 1dvt s ALA 29 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1dvt s ALA 29 CO 0.13 -0.27 -0.10 0.08 0.00 0.00 0.00 175.76 175.60 1dvt s VAL 30 N 0.06 1.01 -0.07 0.00 1.01 0.97 -0.78 120.40 122.60 1dvt s VAL 30 Ca 0.51 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1dvt s VAL 30 Cb -0.29 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1dvt s VAL 30 CO 0.34 0.33 -0.23 -1.00 0.00 0.00 0.00 175.10 174.54 1dvt s HIS 31 N 0.82 2.35 -0.05 5.22 3.76 0.21 -1.03 115.29 126.57 1dvt s HIS 31 Ca -0.12 -0.78 0.04 0.00 -0.15 0.00 0.00 55.06 54.06 1dvt s HIS 31 Cb -0.15 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1dvt s HIS 31 CO 0.02 -0.27 -0.17 0.08 -0.85 0.00 0.00 174.74 173.55 1dvt s VAL 32 N 0.02 2.78 0.11 -0.90 1.01 0.21 0.11 120.40 123.75 1dvt s VAL 32 Ca -0.08 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1dvt s VAL 32 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1dvt s VAL 32 CO 0.05 0.58 -0.12 -0.36 0.00 0.00 0.00 175.10 175.25 1dvt s PHE 33 N -0.56 1.27 -0.04 5.22 0.40 0.62 -0.31 117.98 124.59 1dvt s PHE 33 Ca 0.08 -0.60 0.06 0.00 -0.60 0.00 0.00 56.93 55.87 1dvt s PHE 33 Cb -0.11 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1dvt s PHE 33 CO 0.01 0.09 -0.22 0.50 0.70 0.00 0.00 175.22 176.29 1dvt s ARG 34 N -2.77 2.17 -0.04 0.44 3.52 -0.57 -0.57 118.95 121.12 1dvt s ARG 34 Ca 0.08 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 1dvt s ARG 34 Cb -0.04 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1dvt s ARG 34 CO 0.02 0.38 1.37 0.21 -0.81 0.00 0.00 175.30 176.46 1dvt s LYS 35 N -0.22 4.28 0.72 5.12 2.20 0.11 -1.64 119.74 130.31 1dvt s LYS 35 Ca -0.00 1.88 -0.07 0.00 -0.36 0.00 0.00 55.97 57.42 1dvt s LYS 35 Cb -0.12 -3.64 0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1dvt s LYS 35 CO 0.02 -0.60 1.03 0.00 -0.36 0.00 0.00 175.35 175.44 1dvt s ALA 36 N 2.71 3.12 0.35 3.13 0.00 0.20 -4.72 121.76 126.55 1dvt s ALA 36 Ca 0.62 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1dvt s ALA 36 Cb -0.29 -2.61 0.86 0.00 0.00 0.00 0.00 23.12 21.08 1dvt s ALA 36 CO 0.24 -1.35 1.83 0.00 0.00 0.00 0.00 175.76 176.48 1dvt h ALA 37 N -0.64 1.88 -0.27 0.00 0.00 -1.95 0.17 119.26 118.45 1dvt h ALA 37 Ca -0.44 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1dvt h ALA 37 Cb 1.31 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1dvt h ALA 37 CO 0.60 -0.18 0.10 -0.40 0.00 0.00 0.00 179.25 179.37 1dvt n ASP 38 N -4.61 2.94 -2.39 0.00 5.75 -1.26 -4.85 116.55 112.13 1dvt n ASP 38 Ca 0.20 -2.43 -0.21 0.00 -0.01 0.00 0.00 54.79 52.34 1dvt n ASP 38 Cb 0.57 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 1dvt n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvt n ASP 39 N 0.09 -5.95 -4.66 -1.12 8.00 0.05 -4.99 116.55 107.96 1dvt n ASP 39 Ca 0.15 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 1dvt n ASP 39 Cb 0.73 -4.95 -0.08 0.00 -0.02 0.00 0.00 41.12 36.79 1dvt n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvt s THR 40 N -3.05 3.83 -0.45 -3.53 2.01 -1.25 -4.85 115.64 108.37 1dvt s THR 40 Ca 0.00 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.64 1dvt s THR 40 Cb 0.00 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1dvt s THR 40 CO 0.00 0.07 0.74 0.26 -0.69 0.00 0.00 174.62 175.00 1dvt s TRP 41 N -1.39 3.01 -0.14 4.92 0.52 -1.26 0.58 118.94 125.20 1dvt s TRP 41 Ca 0.25 0.10 -0.07 0.00 0.02 0.00 0.00 56.10 56.41 1dvt s TRP 41 Cb -0.11 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.60 1dvt s TRP 41 CO 0.18 -0.95 0.11 -1.83 0.02 0.00 0.00 176.95 174.47 1dvt s GLU 42 N 3.15 3.56 0.23 4.98 -1.05 -0.65 -4.89 118.70 124.03 1dvt s GLU 42 Ca 0.28 -0.22 -0.31 0.00 -0.15 0.00 0.00 54.97 54.57 1dvt s GLU 42 Cb -0.13 -3.17 -0.14 0.00 -0.44 0.00 0.00 34.13 30.25 1dvt s GLU 42 CO 0.22 0.62 1.17 -2.30 0.95 0.00 0.00 175.26 175.92 1dvt n PRO 43 N 2.47 1.46 0.00 -4.83 -0.02 -1.26 -1.51 135.00 131.31 1dvt n PRO 43 Ca -0.19 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1dvt n PRO 43 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1dvt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvt n PHE 44 N 1.10 0.00 -3.55 6.00 7.35 0.58 -4.76 117.46 124.18 1dvt n PHE 44 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 1dvt n PHE 44 Cb 0.29 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.11 1dvt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvt s ALA 45 N -2.00 -1.69 0.20 3.13 0.00 -0.95 -5.00 121.76 115.46 1dvt s ALA 45 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 1dvt s ALA 45 Cb 0.00 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.79 1dvt s ALA 45 CO 0.00 -0.79 0.64 -1.54 0.00 0.00 0.00 175.76 174.07 1dvt s SER 46 N -2.67 -0.45 0.00 0.00 1.04 -1.26 0.63 113.70 110.99 1dvt s SER 46 Ca 0.05 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1dvt s SER 46 Cb -0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1dvt s SER 46 CO -0.07 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1dvt n GLY 47 N -0.41 -1.34 3.18 7.32 0.00 -0.20 -5.00 105.19 108.74 1dvt n GLY 47 Ca -0.12 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1dvt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvt s LYS 48 N -1.24 1.41 0.53 1.61 1.02 -1.26 -0.02 119.74 121.79 1dvt s LYS 48 Ca 0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.10 1dvt s LYS 48 Cb 0.00 -1.38 -0.05 0.00 -0.52 0.00 0.00 37.83 35.87 1dvt s LYS 48 CO 0.00 0.38 1.32 0.95 -0.92 0.00 0.00 175.35 177.07 1dvt s THR 49 N -0.48 2.28 0.12 2.17 -4.23 -0.32 -4.82 115.64 110.37 1dvt s THR 49 Ca 0.07 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1dvt s THR 49 Cb -0.07 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1dvt s THR 49 CO -0.00 -0.00 0.17 -1.54 -0.54 0.00 0.00 174.62 172.70 1dvt n SER 50 N -0.94 0.04 0.30 3.99 3.41 0.68 -1.58 113.62 119.52 1dvt n SER 50 Ca 0.10 -1.08 0.16 0.00 -0.26 0.00 0.00 58.87 57.79 1dvt n SER 50 Cb 0.46 -0.13 0.91 0.00 -0.26 0.00 0.00 64.21 65.19 1dvt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvt h GLU 51 N 0.00 0.00 -0.51 4.33 4.39 -1.94 -0.43 114.58 120.42 1dvt h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1dvt h GLU 51 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1dvt h GLU 51 CO 0.04 0.03 0.00 -1.13 -1.16 0.00 0.00 179.01 176.80 1dvt n SER 52 N -3.62 2.99 -0.07 1.42 3.41 -1.26 -4.78 113.62 111.71 1dvt n SER 52 Ca -0.03 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 1dvt n SER 52 Cb 0.13 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1dvt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvt n GLY 53 N 1.40 0.43 3.77 5.00 0.00 -0.17 -4.80 105.19 110.82 1dvt n GLY 53 Ca 0.19 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1dvt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvt s GLU 54 N -0.85 2.78 -0.18 1.61 2.02 -1.26 -0.48 118.70 122.34 1dvt s GLU 54 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 53.91 1dvt s GLU 54 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.77 1dvt s GLU 54 CO 0.00 0.43 0.05 -1.17 0.02 0.00 0.00 175.26 174.59 1dvt s LEU 55 N -3.47 0.84 0.46 1.80 2.96 0.26 -0.23 118.68 121.31 1dvt s LEU 55 Ca 0.31 -0.71 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1dvt s LEU 55 Cb -0.09 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 1dvt s LEU 55 CO 0.23 -0.32 0.23 -1.00 -1.32 0.00 0.00 176.35 174.17 1dvt s HIS 56 N 1.97 2.23 -1.50 5.38 3.76 -1.26 -2.35 115.29 123.52 1dvt s HIS 56 Ca 0.00 -0.71 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 1dvt s HIS 56 Cb -0.16 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1dvt s HIS 56 CO -0.08 -0.01 0.41 0.41 -0.85 0.00 0.00 174.74 174.61 1dvt n GLY 57 N -1.41 -0.43 0.18 -2.22 0.00 -1.26 -4.90 105.19 95.15 1dvt n GLY 57 Ca -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1dvt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvt h LEU 58 N -0.93 0.58 0.00 0.99 3.38 -1.86 -3.48 115.31 113.98 1dvt h LEU 58 Ca -0.48 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 56.96 1dvt h LEU 58 Cb 1.34 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1dvt h LEU 58 CO 0.53 1.17 0.07 1.07 0.09 0.00 0.00 178.44 181.36 1dvt n THR 59 N -3.83 0.00 -4.48 0.22 5.66 -1.26 -4.79 114.28 105.80 1dvt n THR 59 Ca -0.06 -1.13 -0.23 0.00 -3.05 0.00 0.00 64.05 59.58 1dvt n THR 59 Cb 0.75 0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 70.29 1dvt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvt s THR 60 N -2.49 1.92 0.33 1.09 -4.23 -1.26 -4.53 115.64 106.46 1dvt s THR 60 Ca 0.18 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1dvt s THR 60 Cb -0.03 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.53 1dvt s THR 60 CO 0.13 -0.25 1.99 -0.33 -0.54 0.00 0.00 174.62 175.63 1dvt h GLU 61 N 2.16 0.93 -0.40 3.99 5.08 -1.98 -0.49 114.58 123.86 1dvt h GLU 61 Ca -0.41 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1dvt h GLU 61 Cb 1.24 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1dvt h GLU 61 CO 0.69 0.62 0.03 1.49 -1.00 0.00 0.00 179.01 180.84 1dvt h GLU 62 N 0.96 0.69 0.00 2.33 4.57 -2.04 -3.21 114.58 117.88 1dvt h GLU 62 Ca 0.26 -0.21 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 1dvt h GLU 62 Cb -0.10 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 1dvt h GLU 62 CO -0.06 0.76 -0.92 0.37 -1.18 0.00 0.00 179.01 177.98 1dvt h GLN 63 N 0.53 0.01 -4.31 1.92 4.15 -1.90 -3.39 115.11 112.12 1dvt h GLN 63 Ca 0.12 -0.02 -0.71 0.00 0.77 0.00 0.00 58.65 58.81 1dvt h GLN 63 Cb 0.43 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1dvt h GLN 63 CO 0.02 0.93 2.98 0.34 -1.93 0.00 0.00 178.83 181.16 1dvt n PHE 64 N -3.46 3.73 -2.12 3.99 7.35 -0.22 -4.96 117.46 121.77 1dvt n PHE 64 Ca -0.01 -2.96 -0.27 0.00 -0.76 0.00 0.00 57.45 53.46 1dvt n PHE 64 Cb 0.87 -2.57 0.07 0.00 0.35 0.00 0.00 39.48 38.20 1dvt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvt s VAL 65 N 3.35 2.26 0.59 -2.13 -7.23 -1.26 -4.94 120.40 111.04 1dvt s VAL 65 Ca 0.48 -0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.29 1dvt s VAL 65 Cb 0.12 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1dvt s VAL 65 CO -0.06 -0.02 0.94 -0.62 -0.31 0.00 0.00 175.10 175.03 1dvt n GLU 66 N -3.02 0.90 -3.00 4.82 1.02 -1.26 -4.89 120.64 115.21 1dvt n GLU 66 Ca 0.08 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1dvt n GLU 66 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1dvt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvt n GLY 67 N 1.31 -1.68 3.56 0.62 0.00 -1.21 -4.98 105.19 102.80 1dvt n GLY 67 Ca 0.13 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1dvt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvt s ILE 68 N -1.98 4.57 0.15 -0.61 1.01 -1.26 -0.94 121.20 122.13 1dvt s ILE 68 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.65 1dvt s ILE 68 Cb 0.00 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1dvt s ILE 68 CO 0.00 0.42 -0.23 -0.31 0.00 0.00 0.00 174.94 174.82 1dvt s TYR 69 N 0.79 2.39 -0.10 3.97 1.51 0.14 -0.71 117.35 125.34 1dvt s TYR 69 Ca 0.03 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1dvt s TYR 69 Cb -0.14 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1dvt s TYR 69 CO 0.02 0.41 -0.14 0.21 -1.11 0.00 0.00 175.55 174.93 1dvt s LYS 70 N -2.30 2.09 -0.26 -0.62 2.20 0.26 -1.35 119.74 119.76 1dvt s LYS 70 Ca 0.18 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1dvt s LYS 70 Cb -0.10 -1.77 -0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1dvt s LYS 70 CO 0.09 -0.04 0.05 0.08 -0.36 0.00 0.00 175.35 175.16 1dvt s VAL 71 N 0.93 3.91 -0.21 4.02 1.01 0.59 -0.27 120.40 130.37 1dvt s VAL 71 Ca -0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1dvt s VAL 71 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1dvt s VAL 71 CO -0.00 0.23 -0.02 -0.70 0.00 0.00 0.00 175.10 174.61 1dvt s GLU 72 N 1.52 3.50 -0.25 2.72 2.12 0.12 -0.54 118.70 127.89 1dvt s GLU 72 Ca 0.04 -0.57 -0.07 0.00 0.36 0.00 0.00 54.97 54.74 1dvt s GLU 72 Cb -0.16 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 1dvt s GLU 72 CO 0.01 -0.09 0.05 0.42 -0.54 0.00 0.00 175.26 175.11 1dvt s ILE 73 N 1.25 4.04 -1.18 -3.70 1.01 0.11 -0.62 121.20 122.12 1dvt s ILE 73 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 1dvt s ILE 73 Cb -0.14 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1dvt s ILE 73 CO 0.00 0.30 1.92 -0.67 0.00 0.00 0.00 174.94 176.49 1dvt n ASP 74 N 4.89 3.66 0.10 3.58 2.03 0.04 -1.26 116.55 129.59 1dvt n ASP 74 Ca -0.16 -2.78 -0.03 0.00 0.52 0.00 0.00 54.79 52.33 1dvt n ASP 74 Cb 0.51 -1.61 0.17 0.00 -0.72 0.00 0.00 41.12 39.47 1dvt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvt h THR 75 N 5.32 1.37 -0.12 5.18 1.35 -1.87 -3.24 112.91 120.91 1dvt h THR 75 Ca 0.38 -1.85 0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1dvt h THR 75 Cb 0.82 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1dvt h THR 75 CO 1.54 0.54 0.03 0.50 -0.25 0.00 0.00 175.52 177.88 1dvt h LYS 76 N 0.14 0.08 -0.67 4.72 3.64 -1.74 -2.09 116.57 120.65 1dvt h LYS 76 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1dvt h LYS 76 Cb 1.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1dvt h LYS 76 CO 0.08 0.05 0.40 0.77 -2.27 0.00 0.00 179.45 178.49 1dvt h SER 77 N 0.08 0.79 0.03 4.20 0.02 -1.87 -1.36 113.55 115.45 1dvt h SER 77 Ca 0.05 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1dvt h SER 77 Cb 0.04 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1dvt h SER 77 CO -0.06 0.61 -0.01 0.22 -1.14 0.00 0.00 176.83 176.44 1dvt h TYR 78 N 0.91 -0.03 -0.29 3.45 3.20 -1.45 -1.98 116.97 120.79 1dvt h TYR 78 Ca 0.24 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 1dvt h TYR 78 Cb -0.04 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1dvt h TYR 78 CO 0.00 -0.01 -0.44 -1.49 -1.64 0.00 0.00 178.16 174.58 1dvt h TRP 79 N -0.04 0.87 -0.65 -3.82 4.06 -1.15 -3.04 115.95 112.18 1dvt h TRP 79 Ca -0.00 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.66 1dvt h TRP 79 Cb 0.03 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1dvt h TRP 79 CO -0.08 1.03 0.35 0.87 -3.56 0.00 0.00 178.44 177.05 1dvt h LYS 80 N 0.58 0.90 0.00 0.49 1.57 -1.15 -0.36 116.57 118.60 1dvt h LYS 80 Ca 0.04 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1dvt h LYS 80 Cb 0.99 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1dvt h LYS 80 CO 0.09 0.67 -0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1dvt h ALA 81 N 1.48 1.10 -0.20 3.86 0.00 -1.24 -0.49 119.26 123.76 1dvt h ALA 81 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dvt h ALA 81 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dvt h ALA 81 CO -0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1dvt n LEU 82 N -3.27 2.84 -0.14 0.00 4.77 -0.29 -4.94 117.00 115.98 1dvt n LEU 82 Ca -0.02 -1.11 -0.01 0.00 -0.03 0.00 0.00 56.01 54.84 1dvt n LEU 82 Cb 0.19 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1dvt n LEU 82 CO 0.25 0.56 -0.02 0.61 -1.33 0.00 0.00 177.39 177.46 1dvt n GLY 83 N 1.37 0.39 3.23 -0.72 0.00 -0.19 -5.04 105.19 104.22 1dvt n GLY 83 Ca 0.17 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1dvt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvt s ILE 84 N -2.06 2.06 -0.53 -0.61 1.01 -0.35 -5.01 121.20 115.70 1dvt s ILE 84 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 60.65 59.39 1dvt s ILE 84 Cb 0.00 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.74 1dvt s ILE 84 CO 0.00 0.56 0.88 -0.94 0.00 0.00 0.00 174.94 175.44 1dvt s SER 85 N 0.22 6.33 0.75 3.58 1.04 -1.26 -3.10 113.70 121.26 1dvt s SER 85 Ca -0.15 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.75 1dvt s SER 85 Cb -0.17 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.58 1dvt s SER 85 CO 0.08 -1.14 1.13 -2.16 0.98 0.00 0.00 173.24 172.12 1dvt s PRO 86 N 3.68 2.47 -0.18 4.02 0.04 -1.26 -4.95 135.00 138.81 1dvt s PRO 86 Ca 0.28 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 1dvt s PRO 86 Cb -0.13 -1.99 -0.21 0.00 0.04 0.00 0.00 34.50 32.21 1dvt s PRO 86 CO 0.18 -1.28 0.41 0.35 0.04 0.00 0.00 177.00 176.70 1dvt h PHE 87 N -0.83 0.00 -3.97 0.56 3.57 -1.48 -3.48 116.94 111.31 1dvt h PHE 87 Ca -0.46 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.59 1dvt h PHE 87 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1dvt h PHE 87 CO 0.43 1.27 0.33 -1.01 -2.23 0.00 0.00 178.31 177.11 1dvt s HIS 88 N -2.30 3.49 0.20 0.41 3.76 -1.26 -4.97 115.29 114.63 1dvt s HIS 88 Ca -0.25 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1dvt s HIS 88 Cb 0.03 -2.87 0.14 0.00 1.11 0.00 0.00 32.58 30.98 1dvt s HIS 88 CO 0.61 0.05 1.49 0.93 -0.85 0.00 0.00 174.74 176.97 1dvt h GLU 89 N 2.52 0.37 -2.19 1.40 4.39 -1.98 -3.38 114.58 115.71 1dvt h GLU 89 Ca -0.48 -0.27 0.28 0.00 0.34 0.00 0.00 59.36 59.23 1dvt h GLU 89 Cb 1.19 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1dvt h GLU 89 CO 0.63 0.89 0.79 -3.38 -1.16 0.00 0.00 179.01 176.78 1dvt s HIS 90 N -3.73 0.03 -0.08 4.33 -3.43 -1.26 -3.71 115.29 107.44 1dvt s HIS 90 Ca -0.05 -0.24 0.05 0.00 -0.80 0.00 0.00 55.06 54.01 1dvt s HIS 90 Cb 0.11 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 1dvt s HIS 90 CO 0.82 -0.49 -0.23 0.00 -2.00 0.00 0.00 174.74 172.85 1dvt s ALA 91 N -2.13 2.25 0.00 -1.38 0.00 -0.39 -4.88 121.76 115.23 1dvt s ALA 91 Ca 0.25 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1dvt s ALA 91 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1dvt s ALA 91 CO 0.01 0.37 -0.23 -1.21 0.00 0.00 0.00 175.76 174.70 1dvt s GLU 92 N -0.01 1.78 -0.15 0.00 2.02 -1.26 0.10 118.70 121.17 1dvt s GLU 92 Ca -0.08 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1dvt s GLU 92 Cb -0.15 -1.79 0.04 0.00 0.10 0.00 0.00 34.13 32.33 1dvt s GLU 92 CO 0.05 0.48 -0.04 0.08 0.02 0.00 0.00 175.26 175.85 1dvt s VAL 93 N -0.63 1.00 -0.17 2.63 1.01 0.30 -4.97 120.40 119.58 1dvt s VAL 93 Ca 0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1dvt s VAL 93 Cb -0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1dvt s VAL 93 CO 0.00 0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 174.43 1dvt s VAL 94 N 1.68 2.83 0.12 2.92 1.01 -1.26 -0.30 120.40 127.40 1dvt s VAL 94 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1dvt s VAL 94 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1dvt s VAL 94 CO -0.08 0.50 0.25 0.72 0.00 0.00 0.00 175.10 176.50 1dvt s PHE 95 N 0.93 0.15 -0.23 5.22 -0.71 -0.45 -5.00 117.98 117.89 1dvt s PHE 95 Ca -0.03 -0.55 -0.09 0.00 -1.04 0.00 0.00 56.93 55.23 1dvt s PHE 95 Cb -0.15 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1dvt s PHE 95 CO -0.01 -0.62 0.12 0.99 -1.34 0.00 0.00 175.22 174.35 1dvt s THR 96 N -3.88 4.98 -0.32 -4.49 2.01 -1.26 -0.69 115.64 111.99 1dvt s THR 96 Ca 0.08 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 1dvt s THR 96 Cb 0.04 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.25 1dvt s THR 96 CO -0.08 0.36 0.95 0.00 -0.69 0.00 0.00 174.62 175.16 1dvt s ALA 97 N 1.07 3.49 0.01 7.40 0.00 -0.12 -4.92 121.76 128.70 1dvt s ALA 97 Ca 0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1dvt s ALA 97 Cb -0.14 -3.53 -0.34 0.00 0.00 0.00 0.00 23.12 19.12 1dvt s ALA 97 CO 0.04 -1.42 0.98 -0.97 0.00 0.00 0.00 175.76 174.39 1dvt h ASN 98 N 8.17 0.73 0.00 0.00 -0.73 -1.95 -3.20 115.58 118.60 1dvt h ASN 98 Ca -0.22 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.03 1dvt h ASN 98 Cb 1.08 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.43 1dvt h ASN 98 CO 0.97 1.60 0.00 -0.67 -0.37 0.00 0.00 177.43 178.96 1dvt n ASP 99 N -3.86 0.00 -4.56 1.15 -0.08 -1.26 -4.88 116.55 103.06 1dvt n ASP 99 Ca -0.16 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.99 1dvt n ASP 99 Cb 1.00 -0.23 -0.09 0.00 2.34 0.00 0.00 41.12 44.15 1dvt n ASP 99 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1dvt n SER 100 N 0.00 1.53 0.00 1.67 3.41 -1.26 -4.52 113.62 114.44 1dvt n SER 100 Ca 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1dvt n SER 100 Cb 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.32 1dvt n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvt n GLY 101 N 6.58 2.37 3.60 5.00 0.00 -1.26 -4.94 105.19 116.53 1dvt n GLY 101 Ca 0.46 -1.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.20 1dvt n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dvt n PRO 102 N 1.56 1.76 -3.75 1.61 -0.02 -1.26 -4.95 135.00 129.95 1dvt n PRO 102 Ca 0.00 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1dvt n PRO 102 Cb 0.00 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 30.67 1dvt n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dvt s ARG 103 N 5.10 0.12 -0.12 -0.52 0.52 -1.26 -4.92 118.95 117.88 1dvt s ARG 103 Ca 1.00 0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 56.58 1dvt s ARG 103 Cb -0.70 -0.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 1dvt s ARG 103 CO 0.49 -0.16 -0.01 1.03 0.02 0.00 0.00 175.30 176.67 1dvt s ARG 104 N 1.16 3.31 -0.19 3.54 1.81 0.19 -4.89 118.95 123.88 1dvt s ARG 104 Ca -0.09 -0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 53.42 1dvt s ARG 104 Cb -0.11 -2.86 -0.02 0.00 -0.45 0.00 0.00 34.95 31.51 1dvt s ARG 104 CO -0.06 0.49 -0.02 0.71 -0.68 0.00 0.00 175.30 175.74 1dvt s TYR 105 N -0.31 3.01 -0.20 -0.53 1.51 0.24 -2.08 117.35 118.99 1dvt s TYR 105 Ca 0.06 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1dvt s TYR 105 Cb -0.12 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1dvt s TYR 105 CO 0.02 -0.24 -0.14 0.99 -1.11 0.00 0.00 175.55 175.07 1dvt s THR 106 N 0.90 2.46 -0.29 -0.71 2.01 -0.40 -0.19 115.64 119.42 1dvt s THR 106 Ca 0.00 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1dvt s THR 106 Cb -0.14 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1dvt s THR 106 CO 0.02 0.43 0.14 -0.63 -0.69 0.00 0.00 174.62 173.88 1dvt s ILE 107 N 1.32 4.60 -0.04 1.82 -1.09 0.70 -0.84 121.20 127.66 1dvt s ILE 107 Ca 0.04 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1dvt s ILE 107 Cb -0.14 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1dvt s ILE 107 CO -0.09 0.15 -0.13 0.00 -1.23 0.00 0.00 174.94 173.63 1dvt s ALA 108 N 1.63 2.71 -0.03 9.38 0.00 -0.19 -0.70 121.76 134.56 1dvt s ALA 108 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1dvt s ALA 108 Cb -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1dvt s ALA 108 CO 0.06 0.56 -0.09 0.00 0.00 0.00 0.00 175.76 176.29 1dvt s ALA 109 N -0.77 0.88 -0.20 0.00 0.00 0.04 -0.97 121.76 120.75 1dvt s ALA 109 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 1dvt s ALA 109 Cb -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1dvt s ALA 109 CO 0.01 0.13 -0.08 -1.17 0.00 0.00 0.00 175.76 174.65 1dvt s LEU 110 N 0.26 2.75 -0.09 0.00 2.96 0.47 -1.03 118.68 124.00 1dvt s LEU 110 Ca -0.04 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1dvt s LEU 110 Cb -0.09 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1dvt s LEU 110 CO 0.01 0.01 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.27 1dvt s LEU 111 N 1.27 3.47 0.08 -0.68 1.43 0.29 -1.57 118.68 122.97 1dvt s LEU 111 Ca 0.03 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1dvt s LEU 111 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1dvt s LEU 111 CO -0.03 0.36 -0.05 -0.44 0.23 0.00 0.00 176.35 176.41 1dvt s SER 112 N -0.75 0.90 0.27 2.29 0.01 0.31 -0.77 113.70 115.96 1dvt s SER 112 Ca 0.12 -0.98 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1dvt s SER 112 Cb -0.11 0.13 0.50 0.00 0.21 0.00 0.00 66.02 66.74 1dvt s SER 112 CO 0.02 -0.50 1.81 -0.65 0.41 0.00 0.00 173.24 174.34 1dvt h PRO 113 N 3.11 0.83 -0.20 12.44 0.11 -1.99 -2.98 132.00 143.32 1dvt h PRO 113 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dvt h PRO 113 Cb 1.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dvt h PRO 113 CO 0.64 0.55 0.00 0.66 -0.21 0.00 0.00 178.00 179.64 1dvt n TYR 114 N -4.71 0.48 -3.53 0.65 4.02 -1.26 -1.12 117.16 111.69 1dvt n TYR 114 Ca 0.17 -0.73 -0.15 0.00 -0.01 0.00 0.00 57.90 57.18 1dvt n TYR 114 Cb 0.35 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1dvt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvt s SER 115 N -1.68 -0.53 -0.01 7.72 0.15 -1.13 -4.96 113.70 113.26 1dvt s SER 115 Ca 0.28 0.31 -0.24 0.00 0.70 0.00 0.00 55.95 57.01 1dvt s SER 115 Cb 0.21 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 65.10 1dvt s SER 115 CO 0.08 -0.73 0.53 -0.72 1.20 0.00 0.00 173.24 173.60 1dvt s TYR 116 N -2.28 -0.45 0.05 3.44 -0.85 -1.26 -0.53 117.35 115.47 1dvt s TYR 116 Ca -0.06 0.67 0.05 0.00 -0.52 0.00 0.00 57.07 57.21 1dvt s TYR 116 Cb -0.01 0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 1dvt s TYR 116 CO -0.00 -0.56 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.20 1dvt s SER 117 N -1.50 1.78 0.01 -0.18 0.01 -0.61 -4.96 113.70 108.25 1dvt s SER 117 Ca -0.10 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1dvt s SER 117 Cb -0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1dvt s SER 117 CO 0.04 0.01 -0.03 0.28 0.41 0.00 0.00 173.24 173.95 1dvt s THR 118 N -1.01 0.23 0.05 1.44 -1.32 -1.26 -0.39 115.64 113.37 1dvt s THR 118 Ca 0.01 -0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.07 1dvt s THR 118 Cb -0.09 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 1dvt s THR 118 CO 0.02 -0.12 -0.03 0.28 -2.21 0.00 0.00 174.62 172.55 1dvt s THR 119 N -0.53 0.24 -0.05 5.08 -1.32 -0.14 -4.99 115.64 113.93 1dvt s THR 119 Ca -0.04 -1.67 0.06 0.00 -1.21 0.00 0.00 61.69 58.83 1dvt s THR 119 Cb -0.04 -1.33 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1dvt s THR 119 CO -0.00 -0.91 -0.23 0.00 -2.21 0.00 0.00 174.62 171.27 1dvt s ALA 120 N -3.49 1.98 -0.27 11.08 0.00 -1.26 -1.02 121.76 128.79 1dvt s ALA 120 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1dvt s ALA 120 Cb 0.05 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.61 1dvt s ALA 120 CO -0.08 0.39 -0.07 0.08 0.00 0.00 0.00 175.76 176.09 1dvt s VAL 121 N -0.18 2.59 -0.28 0.00 1.01 -0.02 -4.98 120.40 118.55 1dvt s VAL 121 Ca -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1dvt s VAL 121 Cb -0.12 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1dvt s VAL 121 CO 0.03 0.01 0.01 -0.69 0.00 0.00 0.00 175.10 174.46 1dvt s VAL 122 N 1.21 3.39 0.00 2.92 1.01 -1.26 -1.27 120.40 126.40 1dvt s VAL 122 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1dvt s VAL 122 Cb -0.19 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1dvt s VAL 122 CO -0.04 0.11 0.31 0.35 0.00 0.00 0.00 175.10 175.83