#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvy n PRO 11 N 0.00 0.22 -3.79 0.00 -0.04 -1.26 -4.74 135.00 125.39 1dvy n PRO 11 Ca 0.00 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1dvy n PRO 11 Cb 0.00 -1.74 -0.17 0.00 -0.04 0.00 0.00 33.50 31.54 1dvy n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dvy s LEU 12 N -4.25 0.63 0.04 1.53 2.96 -1.26 0.21 118.68 118.55 1dvy s LEU 12 Ca 0.11 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1dvy s LEU 12 Cb 0.14 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 1dvy s LEU 12 CO 0.60 -0.19 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.01 1dvy s MET 13 N 1.93 0.70 -0.03 1.98 -2.45 0.18 -4.40 119.30 117.21 1dvy s MET 13 Ca 0.04 -0.74 0.04 0.00 -1.25 0.00 0.00 55.69 53.79 1dvy s MET 13 Cb -0.12 -0.63 -0.01 0.00 1.25 0.00 0.00 34.83 35.33 1dvy s MET 13 CO -0.05 0.14 -0.17 0.08 1.05 0.00 0.00 175.02 176.07 1dvy s VAL 14 N -1.06 1.39 -0.08 10.11 1.01 -0.97 -0.51 120.40 130.29 1dvy s VAL 14 Ca -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1dvy s VAL 14 Cb -0.08 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1dvy s VAL 14 CO 0.01 0.40 -0.09 -0.75 0.00 0.00 0.00 175.10 174.67 1dvy s LYS 15 N -0.07 1.51 -0.08 2.72 2.47 0.03 -1.01 119.74 125.31 1dvy s LYS 15 Ca -0.01 -0.31 0.03 0.00 -1.56 0.00 0.00 55.97 54.12 1dvy s LYS 15 Cb -0.10 -1.40 0.01 0.00 -1.46 0.00 0.00 37.83 34.87 1dvy s LYS 15 CO 0.01 -0.10 -0.17 0.08 0.16 0.00 0.00 175.35 175.33 1dvy s VAL 16 N 1.12 1.52 0.17 4.02 1.01 0.18 -0.72 120.40 127.69 1dvy s VAL 16 Ca -0.06 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.32 1dvy s VAL 16 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1dvy s VAL 16 CO -0.01 0.44 -0.23 -0.76 0.00 0.00 0.00 175.10 174.54 1dvy s LEU 17 N 0.54 2.48 -0.33 3.92 1.43 0.02 -0.72 118.68 126.02 1dvy s LEU 17 Ca -0.16 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.06 1dvy s LEU 17 Cb -0.17 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1dvy s LEU 17 CO 0.06 0.14 0.16 -0.62 0.23 0.00 0.00 176.35 176.31 1dvy s ASP 18 N -2.49 5.54 0.12 2.29 -1.08 0.10 -0.88 116.67 120.28 1dvy s ASP 18 Ca 0.19 -0.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 1dvy s ASP 18 Cb -0.09 -1.98 0.96 0.00 -1.46 0.00 0.00 42.92 40.35 1dvy s ASP 18 CO 0.09 -0.27 1.79 0.00 0.52 0.00 0.00 175.17 177.30 1dvy n ALA 19 N 4.96 2.15 0.01 3.66 0.00 -0.11 -1.52 120.51 129.66 1dvy n ALA 19 Ca -0.13 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 1dvy n ALA 19 Cb 0.48 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1dvy n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvy h VAL 20 N 0.00 0.79 -0.00 0.00 2.07 -1.94 -3.39 116.25 113.78 1dvy h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1dvy h VAL 20 Cb 0.55 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1dvy h VAL 20 CO 0.00 0.77 -0.60 0.54 0.02 0.00 0.00 177.57 178.30 1dvy n ARG 21 N -3.35 1.68 -3.20 1.57 1.74 -1.23 -5.00 116.66 108.87 1dvy n ARG 21 Ca -0.25 -0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 56.36 1dvy n ARG 21 Cb 1.05 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 31.29 1dvy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvy n GLY 22 N 1.30 -0.21 3.54 -0.13 0.00 -0.57 -5.02 105.19 104.10 1dvy n GLY 22 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1dvy n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvy s SER 23 N -3.85 -0.05 0.64 1.61 1.04 -1.15 -5.01 113.70 106.94 1dvy s SER 23 Ca 0.13 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.40 1dvy s SER 23 Cb -0.06 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1dvy s SER 23 CO 0.58 -1.11 1.12 -2.84 0.98 0.00 0.00 173.24 171.97 1dvy s PRO 24 N -4.02 2.87 -0.48 4.02 0.02 -1.26 0.02 135.00 136.16 1dvy s PRO 24 Ca 0.25 1.46 -0.20 0.00 0.02 0.00 0.00 61.00 62.52 1dvy s PRO 24 Cb 0.00 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.61 1dvy s PRO 24 CO 0.10 -1.21 0.66 0.00 -0.33 0.00 0.00 177.00 176.22 1dvy s ALA 25 N -2.20 3.34 0.15 -1.55 0.00 0.11 -4.56 121.76 117.05 1dvy s ALA 25 Ca 0.69 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1dvy s ALA 25 Cb -0.22 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1dvy s ALA 25 CO 0.39 -1.95 0.49 0.42 0.00 0.00 0.00 175.76 175.11 1dvy s ILE 26 N 2.84 4.97 -1.62 0.00 1.01 -1.26 -4.34 121.20 122.80 1dvy s ILE 26 Ca 0.20 0.56 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 1dvy s ILE 26 Cb -0.16 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1dvy s ILE 26 CO 0.16 0.16 0.38 0.59 0.00 0.00 0.00 174.94 176.23 1dvy n ASN 27 N 0.52 -6.00 -4.70 3.58 3.02 -0.59 -4.94 115.26 106.16 1dvy n ASN 27 Ca -0.04 -0.19 -0.40 0.00 -0.03 0.00 0.00 54.58 53.92 1dvy n ASN 27 Cb 0.52 -4.89 -0.05 0.00 -0.61 0.00 0.00 39.78 34.75 1dvy n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvy s VAL 28 N -3.12 5.05 0.17 2.41 1.01 -1.26 -4.73 120.40 119.93 1dvy s VAL 28 Ca 0.19 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1dvy s VAL 28 Cb -0.08 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 1dvy s VAL 28 CO 0.24 0.21 1.16 0.00 0.00 0.00 0.00 175.10 176.70 1dvy s ALA 29 N 1.17 3.41 -0.06 5.51 0.00 -1.26 -1.49 121.76 129.03 1dvy s ALA 29 Ca 0.33 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1dvy s ALA 29 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1dvy s ALA 29 CO 0.14 -0.31 -0.11 0.08 0.00 0.00 0.00 175.76 175.56 1dvy s VAL 30 N -0.03 1.01 -0.07 0.00 1.01 0.61 -1.26 120.40 121.66 1dvy s VAL 30 Ca 0.52 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1dvy s VAL 30 Cb -0.31 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1dvy s VAL 30 CO 0.35 0.33 -0.21 -1.00 0.00 0.00 0.00 175.10 174.57 1dvy s HIS 31 N 0.67 2.20 -0.07 5.22 3.76 -0.16 -1.29 115.29 125.62 1dvy s HIS 31 Ca -0.13 -0.76 0.03 0.00 -0.15 0.00 0.00 55.06 54.05 1dvy s HIS 31 Cb -0.15 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1dvy s HIS 31 CO 0.03 -0.28 -0.14 0.08 -0.85 0.00 0.00 174.74 173.57 1dvy s VAL 32 N 0.15 3.02 0.14 -0.90 1.01 0.16 -0.04 120.40 123.95 1dvy s VAL 32 Ca -0.10 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1dvy s VAL 32 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1dvy s VAL 32 CO 0.05 0.58 -0.13 -0.36 0.00 0.00 0.00 175.10 175.23 1dvy s PHE 33 N -0.47 1.45 -0.04 5.22 0.40 0.54 -0.58 117.98 124.50 1dvy s PHE 33 Ca 0.06 -0.60 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1dvy s PHE 33 Cb -0.12 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 1dvy s PHE 33 CO 0.02 0.18 -0.19 0.50 0.70 0.00 0.00 175.22 176.43 1dvy s ARG 34 N -3.08 1.88 -0.04 0.44 3.52 -0.48 -0.55 118.95 120.63 1dvy s ARG 34 Ca 0.13 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 1dvy s ARG 34 Cb -0.03 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1dvy s ARG 34 CO 0.03 0.29 1.43 0.21 -0.81 0.00 0.00 175.30 176.45 1dvy s LYS 35 N -0.05 4.25 0.82 5.12 2.20 0.02 -1.65 119.74 130.44 1dvy s LYS 35 Ca -0.02 1.95 -0.10 0.00 -0.36 0.00 0.00 55.97 57.44 1dvy s LYS 35 Cb -0.11 -3.70 0.12 0.00 -1.51 0.00 0.00 37.83 32.63 1dvy s LYS 35 CO 0.02 -0.66 1.15 0.00 -0.36 0.00 0.00 175.35 175.50 1dvy s ALA 36 N 2.95 2.83 0.64 3.13 0.00 0.14 -4.72 121.76 126.73 1dvy s ALA 36 Ca 0.64 -1.11 0.35 0.00 0.00 0.00 0.00 51.96 51.85 1dvy s ALA 36 Cb -0.30 -2.63 1.96 0.00 0.00 0.00 0.00 23.12 22.15 1dvy s ALA 36 CO 0.25 -1.80 2.17 0.00 0.00 0.00 0.00 175.76 176.38 1dvy h ALA 37 N -1.04 1.37 -0.74 0.00 0.00 -1.94 -2.20 119.26 114.70 1dvy h ALA 37 Ca -0.43 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.05 1dvy h ALA 37 Cb 1.28 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 1dvy h ALA 37 CO 0.50 -0.17 0.31 -0.40 0.00 0.00 0.00 179.25 179.49 1dvy n ASP 38 N -3.31 3.99 -1.41 0.00 5.75 -1.26 -4.91 116.55 115.40 1dvy n ASP 38 Ca -0.01 -3.72 -0.18 0.00 -0.01 0.00 0.00 54.79 50.86 1dvy n ASP 38 Cb 0.23 -0.75 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 1dvy n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvy n ASP 39 N -1.07 -5.46 -4.85 -1.12 8.00 -0.83 -4.97 116.55 106.26 1dvy n ASP 39 Ca 0.50 0.45 -0.32 0.00 0.71 0.00 0.00 54.79 56.12 1dvy n ASP 39 Cb 1.23 -4.62 -0.06 0.00 -0.02 0.00 0.00 41.12 37.65 1dvy n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvy s THR 40 N -2.53 5.05 -0.39 -3.53 2.01 -1.26 -4.86 115.64 110.12 1dvy s THR 40 Ca 0.00 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 1dvy s THR 40 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.14 1dvy s THR 40 CO 0.00 0.25 0.72 0.26 -0.69 0.00 0.00 174.62 175.16 1dvy s TRP 41 N -1.35 3.09 -0.05 4.92 0.52 -1.26 0.28 118.94 125.08 1dvy s TRP 41 Ca 0.28 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.70 1dvy s TRP 41 Cb -0.12 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.78 1dvy s TRP 41 CO 0.20 -0.78 0.05 -1.83 0.02 0.00 0.00 176.95 174.61 1dvy s GLU 42 N 3.00 3.06 0.23 4.98 -1.05 -0.66 -4.90 118.70 123.36 1dvy s GLU 42 Ca 0.28 -0.42 -0.31 0.00 -0.15 0.00 0.00 54.97 54.37 1dvy s GLU 42 Cb -0.13 -2.86 -0.14 0.00 -0.44 0.00 0.00 34.13 30.56 1dvy s GLU 42 CO 0.18 0.69 1.38 -2.30 0.95 0.00 0.00 175.26 176.15 1dvy n PRO 43 N 1.68 1.94 -0.02 -4.83 -0.02 -1.26 -1.38 135.00 131.11 1dvy n PRO 43 Ca -0.16 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1dvy n PRO 43 Cb 0.53 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1dvy n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvy n PHE 44 N 1.82 0.00 -3.58 6.00 7.35 0.25 -4.78 117.46 124.53 1dvy n PHE 44 Ca 0.12 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.75 1dvy n PHE 44 Cb 0.31 -0.11 -0.02 0.00 0.35 0.00 0.00 39.48 40.01 1dvy n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvy s ALA 45 N -2.06 -1.93 0.22 3.13 0.00 -1.02 -5.01 121.76 115.10 1dvy s ALA 45 Ca -0.04 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1dvy s ALA 45 Cb 0.01 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1dvy s ALA 45 CO 0.06 -0.74 0.64 -1.54 0.00 0.00 0.00 175.76 174.17 1dvy s SER 46 N -2.49 -0.38 0.00 0.00 1.04 -1.26 0.41 113.70 111.02 1dvy s SER 46 Ca 0.08 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1dvy s SER 46 Cb -0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1dvy s SER 46 CO -0.06 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.63 1dvy n GLY 47 N -0.41 -1.26 3.19 7.32 0.00 -0.41 -5.01 105.19 108.61 1dvy n GLY 47 Ca -0.10 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1dvy n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvy s LYS 48 N -0.80 1.16 0.49 1.61 1.02 -1.26 -0.29 119.74 121.67 1dvy s LYS 48 Ca 0.00 -0.81 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 1dvy s LYS 48 Cb 0.00 -1.21 -0.06 0.00 -0.52 0.00 0.00 37.83 36.04 1dvy s LYS 48 CO 0.00 0.31 1.22 0.95 -0.92 0.00 0.00 175.35 176.91 1dvy s THR 49 N -0.77 2.78 0.28 2.17 -4.23 -0.56 -4.77 115.64 110.54 1dvy s THR 49 Ca 0.05 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1dvy s THR 49 Cb -0.08 -3.29 0.06 0.00 1.34 0.00 0.00 72.50 70.54 1dvy s THR 49 CO 0.01 -0.01 0.39 -1.54 -0.54 0.00 0.00 174.62 172.92 1dvy n SER 50 N -0.72 0.08 0.20 3.99 3.41 0.64 -1.54 113.62 119.69 1dvy n SER 50 Ca 0.09 -1.17 0.14 0.00 -0.26 0.00 0.00 58.87 57.67 1dvy n SER 50 Cb 0.47 -0.29 0.68 0.00 -0.26 0.00 0.00 64.21 64.82 1dvy n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvy h GLU 51 N 0.00 0.00 -0.29 4.33 5.08 -1.94 0.85 114.58 122.61 1dvy h GLU 51 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1dvy h GLU 51 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dvy h GLU 51 CO 0.09 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.97 1dvy n SER 52 N -2.53 2.83 -0.39 1.42 3.41 -1.26 -4.80 113.62 112.30 1dvy n SER 52 Ca -0.00 -1.90 -0.05 0.00 -0.26 0.00 0.00 58.87 56.66 1dvy n SER 52 Cb 0.15 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1dvy n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvy n GLY 53 N 1.37 0.76 3.60 5.00 0.00 0.29 -4.80 105.19 111.41 1dvy n GLY 53 Ca 0.18 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1dvy n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvy s GLU 54 N -2.17 2.17 -0.15 1.61 2.02 -1.26 -0.65 118.70 120.27 1dvy s GLU 54 Ca 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 54.97 53.66 1dvy s GLU 54 Cb 0.00 -2.17 0.05 0.00 0.10 0.00 0.00 34.13 32.10 1dvy s GLU 54 CO 0.00 0.41 0.03 -1.17 0.02 0.00 0.00 175.26 174.55 1dvy s LEU 55 N -3.12 0.91 0.42 1.80 2.96 -0.18 -0.26 118.68 121.21 1dvy s LEU 55 Ca 0.27 -0.55 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1dvy s LEU 55 Cb -0.08 -0.52 -0.07 0.00 0.50 0.00 0.00 46.19 46.02 1dvy s LEU 55 CO 0.17 -0.27 0.05 -1.00 -1.32 0.00 0.00 176.35 173.98 1dvy s HIS 56 N 1.92 2.51 -1.02 5.38 3.76 -1.26 -2.29 115.29 124.29 1dvy s HIS 56 Ca 0.01 -0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1dvy s HIS 56 Cb -0.15 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.72 1dvy s HIS 56 CO -0.07 0.38 0.12 0.41 -0.85 0.00 0.00 174.74 174.73 1dvy n GLY 57 N -1.04 -0.11 0.17 -2.22 0.00 -1.26 -4.93 105.19 95.80 1dvy n GLY 57 Ca -0.05 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1dvy n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvy h LEU 58 N -0.27 0.50 0.00 0.99 3.38 -1.87 -3.48 115.31 114.56 1dvy h LEU 58 Ca -0.30 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 1dvy h LEU 58 Cb 1.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1dvy h LEU 58 CO 0.34 1.13 0.06 1.07 0.09 0.00 0.00 178.44 181.14 1dvy n THR 59 N -3.79 0.00 -4.50 0.22 5.66 -1.26 -4.81 114.28 105.79 1dvy n THR 59 Ca -0.05 -1.02 -0.24 0.00 -3.05 0.00 0.00 64.05 59.69 1dvy n THR 59 Cb 0.76 0.78 -0.11 0.00 -1.55 0.00 0.00 70.33 70.22 1dvy n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvy s THR 60 N -2.51 1.85 0.32 1.09 -4.23 -1.26 -4.55 115.64 106.35 1dvy s THR 60 Ca 0.16 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1dvy s THR 60 Cb -0.02 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.42 1dvy s THR 60 CO 0.12 -0.19 1.95 1.05 -0.54 0.00 0.00 174.62 177.01 1dvy h GLU 61 N 2.10 0.86 -0.65 3.99 4.11 -1.99 -1.19 114.58 121.82 1dvy h GLU 61 Ca -0.41 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 58.85 1dvy h GLU 61 Cb 1.24 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1dvy h GLU 61 CO 0.70 0.63 0.08 0.93 0.07 0.00 0.00 179.01 181.42 1dvy h GLU 62 N 0.87 1.10 0.00 1.06 4.39 -2.04 -3.18 114.58 116.77 1dvy h GLU 62 Ca 0.22 -0.31 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1dvy h GLU 62 Cb 0.02 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1dvy h GLU 62 CO -0.04 1.02 -0.92 0.37 -1.16 0.00 0.00 179.01 178.28 1dvy h GLN 63 N 1.01 0.00 -4.16 2.33 4.15 -1.91 -3.40 115.11 113.14 1dvy h GLN 63 Ca 0.19 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 58.90 1dvy h GLN 63 Cb 0.48 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.11 1dvy h GLN 63 CO 0.02 0.83 2.91 0.34 -1.93 0.00 0.00 178.83 180.99 1dvy n PHE 64 N -3.29 3.62 -2.11 3.99 7.35 -0.47 -4.97 117.46 121.58 1dvy n PHE 64 Ca -0.01 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.46 1dvy n PHE 64 Cb 0.89 -2.50 0.11 0.00 0.35 0.00 0.00 39.48 38.33 1dvy n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvy s VAL 65 N 3.01 2.13 0.53 -2.13 -7.23 -1.26 -4.94 120.40 110.50 1dvy s VAL 65 Ca 0.47 -0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 60.25 1dvy s VAL 65 Cb 0.12 -2.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 1dvy s VAL 65 CO -0.06 0.00 1.19 -0.62 -0.31 0.00 0.00 175.10 175.29 1dvy n GLU 66 N -3.21 1.43 -3.96 4.82 1.02 -1.26 -4.82 120.64 114.66 1dvy n GLU 66 Ca 0.11 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1dvy n GLU 66 Cb 0.60 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1dvy n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvy n GLY 67 N 0.98 -2.72 3.56 0.62 0.00 -1.00 -4.99 105.19 101.65 1dvy n GLY 67 Ca 0.11 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1dvy n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvy s ILE 68 N -2.12 4.73 0.15 -0.61 1.01 -1.26 -0.31 121.20 122.79 1dvy s ILE 68 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.70 1dvy s ILE 68 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1dvy s ILE 68 CO 0.00 0.38 -0.18 -0.31 0.00 0.00 0.00 174.94 174.83 1dvy s TYR 69 N 1.02 2.49 -0.11 3.97 1.51 0.17 -0.80 117.35 125.59 1dvy s TYR 69 Ca 0.05 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1dvy s TYR 69 Cb -0.14 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1dvy s TYR 69 CO 0.03 0.44 -0.11 0.21 -1.11 0.00 0.00 175.55 175.01 1dvy s LYS 70 N -2.42 1.86 -0.30 -0.62 2.20 0.29 -1.58 119.74 119.18 1dvy s LYS 70 Ca 0.20 -0.41 -0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1dvy s LYS 70 Cb -0.09 -1.72 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 1dvy s LYS 70 CO 0.11 -0.16 0.12 0.08 -0.36 0.00 0.00 175.35 175.13 1dvy s VAL 71 N 1.31 4.36 -0.22 4.02 1.01 0.25 -0.34 120.40 130.80 1dvy s VAL 71 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1dvy s VAL 71 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1dvy s VAL 71 CO -0.05 0.11 0.03 -0.70 0.00 0.00 0.00 175.10 174.49 1dvy s GLU 72 N 1.58 3.67 -0.23 2.72 2.12 0.94 -0.78 118.70 128.72 1dvy s GLU 72 Ca 0.04 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.83 1dvy s GLU 72 Cb -0.17 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1dvy s GLU 72 CO 0.05 -0.03 0.02 0.42 -0.54 0.00 0.00 175.26 175.18 1dvy s ILE 73 N 1.15 3.94 -1.29 -3.70 1.01 0.59 -0.98 121.20 121.91 1dvy s ILE 73 Ca 0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1dvy s ILE 73 Cb -0.14 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1dvy s ILE 73 CO 0.02 0.38 1.89 -0.67 0.00 0.00 0.00 174.94 176.56 1dvy n ASP 74 N 4.81 4.31 -0.00 3.58 2.03 -0.39 -1.28 116.55 129.61 1dvy n ASP 74 Ca -0.17 -2.86 -0.07 0.00 0.52 0.00 0.00 54.79 52.21 1dvy n ASP 74 Cb 0.51 -1.69 0.10 0.00 -0.72 0.00 0.00 41.12 39.32 1dvy n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvy h THR 75 N 5.21 1.30 -0.13 5.18 1.35 -1.87 -3.25 112.91 120.70 1dvy h THR 75 Ca 0.45 -1.61 0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1dvy h THR 75 Cb 0.81 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 1dvy h THR 75 CO 1.56 0.50 -0.13 0.50 -0.25 0.00 0.00 175.52 177.71 1dvy h LYS 76 N 0.45 -0.15 -0.58 4.72 3.64 -1.74 -1.61 116.57 121.30 1dvy h LYS 76 Ca 0.03 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1dvy h LYS 76 Cb 0.93 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1dvy h LYS 76 CO 0.08 -0.10 0.39 0.77 -2.27 0.00 0.00 179.45 178.32 1dvy h SER 77 N -0.15 0.66 0.36 4.20 0.02 -1.86 -1.09 113.55 115.69 1dvy h SER 77 Ca 0.09 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1dvy h SER 77 Cb 0.28 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1dvy h SER 77 CO -0.22 0.48 -0.17 0.22 -1.14 0.00 0.00 176.83 175.99 1dvy h TYR 78 N 0.78 -0.45 -0.44 3.45 3.20 -1.35 -2.03 116.97 120.12 1dvy h TYR 78 Ca 0.22 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1dvy h TYR 78 Cb -0.07 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1dvy h TYR 78 CO -0.00 -0.28 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.58 1dvy h TRP 79 N -0.49 0.95 -0.80 -3.82 4.06 -1.09 -2.95 115.95 111.81 1dvy h TRP 79 Ca -0.05 -0.20 0.03 0.00 2.06 0.00 0.00 58.89 60.73 1dvy h TRP 79 Cb 0.37 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.25 1dvy h TRP 79 CO -0.05 0.95 0.51 0.87 -3.56 0.00 0.00 178.44 177.16 1dvy h LYS 80 N 0.75 0.97 0.00 0.49 1.79 -1.15 0.01 116.57 119.42 1dvy h LYS 80 Ca 0.11 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1dvy h LYS 80 Cb 0.69 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1dvy h LYS 80 CO 0.05 0.64 0.00 0.00 -1.08 0.00 0.00 179.45 179.06 1dvy h ALA 81 N 1.33 1.00 -0.15 3.86 0.00 -1.19 -0.29 119.26 123.83 1dvy h ALA 81 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dvy h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dvy h ALA 81 CO -0.11 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1dvy n LEU 82 N -2.67 2.96 0.00 0.00 4.77 -0.15 -4.96 117.00 116.95 1dvy n LEU 82 Ca -0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1dvy n LEU 82 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1dvy n LEU 82 CO 0.18 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1dvy n GLY 83 N 1.24 0.42 3.37 -0.72 0.00 -0.12 -5.05 105.19 104.34 1dvy n GLY 83 Ca 0.14 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1dvy n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvy s ILE 84 N -2.00 2.86 -0.49 -0.61 1.01 -0.39 -5.00 121.20 116.58 1dvy s ILE 84 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 1dvy s ILE 84 Cb 0.00 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1dvy s ILE 84 CO 0.00 0.55 0.87 -0.94 0.00 0.00 0.00 174.94 175.42 1dvy s SER 85 N 0.05 6.41 0.57 3.58 1.04 -1.26 -3.22 113.70 120.87 1dvy s SER 85 Ca -0.06 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.17 1dvy s SER 85 Cb -0.15 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1dvy s SER 85 CO 0.05 -1.06 0.88 -2.16 0.98 0.00 0.00 173.24 171.93 1dvy s PRO 86 N 3.62 3.03 -0.16 4.02 0.04 -1.26 -4.93 135.00 139.36 1dvy s PRO 86 Ca 0.32 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 1dvy s PRO 86 Cb -0.12 -2.29 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 1dvy s PRO 86 CO 0.22 -0.61 0.63 0.35 0.04 0.00 0.00 177.00 177.63 1dvy h PHE 87 N -0.10 0.00 -4.04 0.56 3.57 -1.58 -3.48 116.94 111.88 1dvy h PHE 87 Ca -0.46 0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.60 1dvy h PHE 87 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1dvy h PHE 87 CO 0.49 1.12 0.34 -1.01 -2.23 0.00 0.00 178.31 177.02 1dvy s HIS 88 N -2.25 3.35 0.14 0.41 3.76 -1.26 -4.97 115.29 114.46 1dvy s HIS 88 Ca -0.21 1.63 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 1dvy s HIS 88 Cb -0.01 -2.87 -0.07 0.00 1.11 0.00 0.00 32.58 30.74 1dvy s HIS 88 CO 0.66 -0.10 1.33 0.93 -0.85 0.00 0.00 174.74 176.71 1dvy h GLU 89 N 2.07 0.44 -2.09 1.40 4.39 -1.98 -3.38 114.58 115.43 1dvy h GLU 89 Ca -0.49 -0.43 0.26 0.00 0.34 0.00 0.00 59.36 59.04 1dvy h GLU 89 Cb 1.18 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1dvy h GLU 89 CO 0.61 1.09 0.73 -3.38 -1.16 0.00 0.00 179.01 176.90 1dvy s HIS 90 N -3.38 -0.00 -0.12 4.33 -3.43 -1.26 -3.54 115.29 107.89 1dvy s HIS 90 Ca -0.06 -0.23 0.01 0.00 -0.80 0.00 0.00 55.06 53.98 1dvy s HIS 90 Cb 0.09 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 1dvy s HIS 90 CO 0.86 -0.55 -0.15 0.00 -2.00 0.00 0.00 174.74 172.90 1dvy s ALA 91 N -2.35 2.54 -0.04 -1.38 0.00 -0.40 -4.90 121.76 115.22 1dvy s ALA 91 Ca 0.21 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1dvy s ALA 91 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1dvy s ALA 91 CO 0.01 0.28 -0.21 -1.21 0.00 0.00 0.00 175.76 174.63 1dvy s GLU 92 N 0.27 2.36 -0.17 0.00 2.02 -1.26 -0.30 118.70 121.62 1dvy s GLU 92 Ca -0.11 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1dvy s GLU 92 Cb -0.16 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 31.90 1dvy s GLU 92 CO 0.06 0.55 -0.09 0.08 0.02 0.00 0.00 175.26 175.88 1dvy s VAL 93 N -0.57 1.33 -0.14 2.63 1.01 0.04 -4.98 120.40 119.73 1dvy s VAL 93 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1dvy s VAL 93 Cb -0.11 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 1dvy s VAL 93 CO 0.00 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 1dvy s VAL 94 N 1.55 2.55 0.06 2.92 1.01 -1.26 -0.58 120.40 126.65 1dvy s VAL 94 Ca 0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1dvy s VAL 94 Cb -0.15 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1dvy s VAL 94 CO -0.08 0.53 0.47 0.72 0.00 0.00 0.00 175.10 176.74 1dvy s PHE 95 N 0.62 -0.35 -0.02 5.22 -0.71 -0.61 -5.00 117.98 117.14 1dvy s PHE 95 Ca -0.10 0.30 -0.21 0.00 -1.04 0.00 0.00 56.93 55.89 1dvy s PHE 95 Cb -0.16 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 1dvy s PHE 95 CO 0.03 -0.64 0.62 0.99 -1.34 0.00 0.00 175.22 174.88 1dvy s THR 96 N -2.70 4.93 0.11 -4.49 2.01 -1.26 -0.66 115.64 113.57 1dvy s THR 96 Ca -0.04 1.28 0.10 0.00 0.31 0.00 0.00 61.69 63.35 1dvy s THR 96 Cb -0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1dvy s THR 96 CO -0.04 0.39 -0.26 0.00 -0.69 0.00 0.00 174.62 174.02 1dvy s ALA 97 N 0.00 2.24 -1.61 7.40 0.00 0.58 -4.76 121.76 125.61 1dvy s ALA 97 Ca 0.32 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1dvy s ALA 97 Cb -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1dvy s ALA 97 CO 0.17 0.50 0.00 0.09 0.00 0.00 0.00 175.76 176.53 1dvy n ASN 98 N 1.14 -4.76 0.25 0.00 3.02 -1.26 -2.37 115.26 111.29 1dvy n ASN 98 Ca -0.18 0.23 0.08 0.00 -0.03 0.00 0.00 54.58 54.69 1dvy n ASN 98 Cb 0.53 -4.12 0.64 0.00 -0.61 0.00 0.00 39.78 36.21 1dvy n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1dvy h ASP 99 N 0.00 0.00 -0.19 6.41 2.03 -1.92 -2.77 116.42 119.97 1dvy h ASP 99 Ca -0.38 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.76 1dvy h ASP 99 Cb 1.21 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.56 1dvy h ASP 99 CO 0.49 0.08 -0.65 -1.54 -1.03 0.00 0.00 179.24 176.59 1dvy n SER 100 N -4.26 2.39 0.00 4.15 3.41 -1.26 -5.08 113.62 112.96 1dvy n SER 100 Ca -0.03 -3.60 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 1dvy n SER 100 Cb 0.16 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1dvy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvy n GLY 101 N -0.84 2.66 3.72 5.00 0.00 -1.05 -5.04 105.19 109.65 1dvy n GLY 101 Ca 0.23 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1dvy n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dvy s PRO 102 N -2.37 4.21 0.20 1.61 0.02 -1.26 -4.24 135.00 133.17 1dvy s PRO 102 Ca 0.00 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.44 1dvy s PRO 102 Cb 0.00 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1dvy s PRO 102 CO 0.00 -0.60 0.01 1.03 -0.33 0.00 0.00 177.00 177.11 1dvy s ARG 103 N 0.87 1.23 -0.17 5.54 1.81 -1.26 -4.89 118.95 122.08 1dvy s ARG 103 Ca 0.69 -1.61 -0.04 0.00 -1.72 0.00 0.00 55.73 53.05 1dvy s ARG 103 Cb -0.44 -0.39 -0.03 0.00 -0.45 0.00 0.00 34.95 33.64 1dvy s ARG 103 CO 0.34 -0.14 -0.03 1.03 -0.68 0.00 0.00 175.30 175.82 1dvy s ARG 104 N -3.91 3.63 -0.13 3.54 0.52 -0.10 -4.84 118.95 117.66 1dvy s ARG 104 Ca 0.27 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1dvy s ARG 104 Cb 0.06 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 1dvy s ARG 104 CO 0.07 0.15 -0.18 0.71 0.02 0.00 0.00 175.30 176.07 1dvy s TYR 105 N 0.61 2.72 -0.21 -0.53 1.51 0.13 -1.09 117.35 120.49 1dvy s TYR 105 Ca -0.02 -0.94 -0.01 0.00 -1.01 0.00 0.00 57.07 55.09 1dvy s TYR 105 Cb -0.14 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1dvy s TYR 105 CO 0.02 -0.38 -0.12 0.99 -1.11 0.00 0.00 175.55 174.96 1dvy s THR 106 N 0.52 2.70 -0.27 -0.71 2.01 -0.39 -0.65 115.64 118.85 1dvy s THR 106 Ca -0.11 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1dvy s THR 106 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1dvy s THR 106 CO 0.04 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 1dvy s ILE 107 N 1.37 4.54 -0.01 1.82 -1.09 0.33 -1.21 121.20 126.95 1dvy s ILE 107 Ca 0.04 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1dvy s ILE 107 Cb -0.14 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1dvy s ILE 107 CO -0.08 0.25 -0.14 0.00 -1.23 0.00 0.00 174.94 173.74 1dvy s ALA 108 N 1.64 2.73 -0.02 9.38 0.00 0.06 -0.79 121.76 134.75 1dvy s ALA 108 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1dvy s ALA 108 Cb -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1dvy s ALA 108 CO 0.06 0.57 -0.06 0.00 0.00 0.00 0.00 175.76 176.33 1dvy s ALA 109 N -0.85 0.60 -0.21 0.00 0.00 0.10 -0.92 121.76 120.47 1dvy s ALA 109 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1dvy s ALA 109 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1dvy s ALA 109 CO 0.04 0.09 -0.09 -1.17 0.00 0.00 0.00 175.76 174.62 1dvy s LEU 110 N 0.22 2.70 -0.09 0.00 2.96 0.24 -0.80 118.68 123.91 1dvy s LEU 110 Ca -0.03 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1dvy s LEU 110 Cb -0.07 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1dvy s LEU 110 CO -0.00 -0.02 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.23 1dvy s LEU 111 N 1.41 3.50 0.06 -0.68 1.43 -0.06 -1.66 118.68 122.68 1dvy s LEU 111 Ca 0.05 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1dvy s LEU 111 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1dvy s LEU 111 CO -0.06 0.37 -0.04 -0.44 0.23 0.00 0.00 176.35 176.40 1dvy s SER 112 N -0.81 0.67 0.24 2.29 0.01 0.45 -0.94 113.70 115.62 1dvy s SER 112 Ca 0.12 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 1dvy s SER 112 Cb -0.11 0.15 0.42 0.00 0.21 0.00 0.00 66.02 66.69 1dvy s SER 112 CO 0.02 -0.51 1.77 -0.65 0.41 0.00 0.00 173.24 174.28 1dvy h PRO 113 N 3.31 0.59 -0.21 12.44 0.11 -1.99 -2.94 132.00 143.31 1dvy h PRO 113 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1dvy h PRO 113 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1dvy h PRO 113 CO 0.62 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.46 1dvy n TYR 114 N -4.87 0.62 -3.49 0.65 4.02 -1.26 -1.38 117.16 111.44 1dvy n TYR 114 Ca 0.14 -0.81 -0.15 0.00 -0.01 0.00 0.00 57.90 57.07 1dvy n TYR 114 Cb 0.34 -0.21 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 1dvy n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvy s SER 115 N -1.87 -0.59 0.01 7.72 0.15 -1.11 -4.97 113.70 113.04 1dvy s SER 115 Ca 0.34 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 57.17 1dvy s SER 115 Cb 0.27 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 65.16 1dvy s SER 115 CO 0.08 -0.70 0.52 -0.72 1.20 0.00 0.00 173.24 173.63 1dvy s TYR 116 N -2.13 -0.44 0.06 3.44 -0.85 -1.26 -0.41 117.35 115.75 1dvy s TYR 116 Ca -0.05 0.61 0.07 0.00 -0.52 0.00 0.00 57.07 57.17 1dvy s TYR 116 Cb -0.00 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 1dvy s TYR 116 CO 0.01 -0.59 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.15 1dvy s SER 117 N -1.65 2.16 -0.01 -0.18 0.01 -0.66 -4.97 113.70 108.41 1dvy s SER 117 Ca -0.08 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1dvy s SER 117 Cb -0.01 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1dvy s SER 117 CO 0.03 0.07 -0.02 0.28 0.41 0.00 0.00 173.24 174.01 1dvy s THR 118 N -0.94 0.17 0.08 1.44 -1.32 -1.26 -0.60 115.64 113.21 1dvy s THR 118 Ca 0.04 -0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1dvy s THR 118 Cb -0.09 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 1dvy s THR 118 CO 0.02 0.06 -0.07 0.28 -2.21 0.00 0.00 174.62 172.70 1dvy s THR 119 N 0.09 0.65 -0.02 5.08 -1.32 -0.10 -4.99 115.64 115.04 1dvy s THR 119 Ca -0.01 -1.71 0.06 0.00 -1.21 0.00 0.00 61.69 58.83 1dvy s THR 119 Cb -0.03 -1.40 -0.01 0.00 -1.51 0.00 0.00 72.50 69.55 1dvy s THR 119 CO -0.00 -0.74 -0.20 0.00 -2.21 0.00 0.00 174.62 171.46 1dvy s ALA 120 N -3.03 1.67 -0.18 11.08 0.00 -1.26 -0.76 121.76 129.28 1dvy s ALA 120 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1dvy s ALA 120 Cb 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1dvy s ALA 120 CO -0.03 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.03 1dvy s VAL 121 N -0.41 2.34 -0.17 0.00 1.01 -0.35 -4.99 120.40 117.83 1dvy s VAL 121 Ca 0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1dvy s VAL 121 Cb -0.08 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1dvy s VAL 121 CO -0.00 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1dvy s VAL 122 N 1.24 3.01 0.11 2.92 1.01 -1.26 -1.27 120.40 126.16 1dvy s VAL 122 Ca 0.03 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1dvy s VAL 122 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1dvy s VAL 122 CO -0.09 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.40 1dvy s THR 123 N 0.86 2.64 -0.40 3.92 2.01 -0.25 -4.96 115.64 119.46 1dvy s THR 123 Ca -0.03 -1.54 0.03 0.00 0.31 0.00 0.00 61.69 60.46 1dvy s THR 123 Cb -0.15 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1dvy s THR 123 CO 0.00 0.13 0.60 -3.20 -0.69 0.00 0.00 174.62 171.47