#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr n SER 2 N 0.00 -4.70 -0.02 1.61 2.88 -1.26 -4.94 113.62 107.18 2dkr n SER 2 Ca 0.00 -0.44 -0.15 0.00 -1.33 0.00 0.00 58.87 56.94 2dkr n SER 2 Cb 0.00 -4.12 -0.12 0.00 -0.75 0.00 0.00 64.21 59.22 2dkr n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dkr h SER 3 N -2.01 0.21 -3.57 -3.46 0.87 -2.12 -3.42 113.55 100.05 2dkr h SER 3 Ca -0.46 -0.82 -0.71 0.00 -1.23 0.00 0.00 61.79 58.58 2dkr h SER 3 Cb 1.29 -0.07 -0.27 0.00 -0.44 0.00 0.00 62.40 62.91 2dkr h SER 3 CO 0.43 1.01 -0.53 -0.83 -0.53 0.00 0.00 176.83 176.38 2dkr s GLY 4 N -4.00 1.91 0.17 5.77 0.00 -1.26 -5.07 107.32 104.85 2dkr s GLY 4 Ca -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.70 2dkr s GLY 4 CO 0.74 0.86 0.02 -1.35 0.00 0.00 0.00 173.10 173.37 2dkr s SER 5 N 1.68 1.09 1.16 1.64 1.04 -1.26 -5.16 113.70 113.89 2dkr s SER 5 Ca 0.01 -1.19 -0.15 0.00 0.48 0.00 0.00 55.95 55.10 2dkr s SER 5 Cb -0.20 0.15 0.27 0.00 0.10 0.00 0.00 66.02 66.33 2dkr s SER 5 CO 0.04 -0.60 1.05 -0.44 0.98 0.00 0.00 173.24 174.27 2dkr s SER 6 N -3.17 1.16 -0.65 7.02 0.01 -1.26 -4.86 113.70 111.96 2dkr s SER 6 Ca 0.25 1.12 -0.07 0.00 1.31 0.00 0.00 55.95 58.56 2dkr s SER 6 Cb 0.06 -1.71 -0.16 0.00 0.21 0.00 0.00 66.02 64.42 2dkr s SER 6 CO 0.04 -4.03 3.27 0.61 0.41 0.00 0.00 173.24 173.54 2dkr n GLY 7 N -0.09 3.64 3.74 3.44 0.00 -1.26 -4.94 105.19 109.72 2dkr n GLY 7 Ca 0.07 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2dkr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkr s VAL 8 N 1.01 2.06 -0.20 1.61 0.11 -1.26 -4.38 120.40 119.35 2dkr s VAL 8 Ca 0.67 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.73 2dkr s VAL 8 Cb 0.27 -3.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 2dkr s VAL 8 CO -0.04 0.01 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.00 2dkr s VAL 9 N 0.38 3.45 -0.27 2.04 1.01 0.20 -4.98 120.40 122.24 2dkr s VAL 9 Ca 0.67 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 2dkr s VAL 9 Cb -0.48 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2dkr s VAL 9 CO 0.43 0.44 0.06 -0.70 0.00 0.00 0.00 175.10 175.33 2dkr s GLU 10 N 1.18 3.32 0.04 2.72 -6.30 -1.26 -0.67 118.70 117.73 2dkr s GLU 10 Ca 0.02 -0.70 0.06 0.00 -2.50 0.00 0.00 54.97 51.86 2dkr s GLU 10 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 34.13 30.66 2dkr s GLU 10 CO -0.01 -0.32 -0.13 -0.51 0.02 0.00 0.00 175.26 174.31 2dkr s LEU 11 N 1.53 2.85 0.12 2.70 1.43 -0.85 -4.96 118.68 121.51 2dkr s LEU 11 Ca 0.04 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 2dkr s LEU 11 Cb -0.16 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2dkr s LEU 11 CO 0.02 0.25 1.35 -2.16 0.23 0.00 0.00 176.35 176.04 2dkr s PRO 12 N -1.57 4.35 -0.43 1.29 0.04 -1.26 -0.99 135.00 136.42 2dkr s PRO 12 Ca 0.17 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 2dkr s PRO 12 Cb -0.11 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 2dkr s PRO 12 CO 0.07 -0.38 1.72 0.21 0.04 0.00 0.00 177.00 178.66 2dkr s LYS 13 N 0.87 3.19 -0.13 4.56 2.47 0.17 -4.86 119.74 126.01 2dkr s LYS 13 Ca 0.62 1.06 -0.01 0.00 -1.56 0.00 0.00 55.97 56.08 2dkr s LYS 13 Cb -0.36 -4.21 0.04 0.00 -1.46 0.00 0.00 37.83 31.84 2dkr s LYS 13 CO 0.32 -2.04 -0.02 0.95 0.16 0.00 0.00 175.35 174.72 2dkr s THR 14 N 7.13 0.74 0.48 3.43 -4.23 -1.26 -4.62 115.64 117.31 2dkr s THR 14 Ca 0.71 -0.28 0.34 0.00 -1.18 0.00 0.00 61.69 61.28 2dkr s THR 14 Cb -0.17 -0.93 0.54 0.00 1.34 0.00 0.00 72.50 73.28 2dkr s THR 14 CO 0.29 0.17 1.68 0.44 -0.54 0.00 0.00 174.62 176.67 2dkr h ASP 15 N 8.22 0.16 -0.94 3.99 5.19 -2.03 0.34 116.42 131.37 2dkr h ASP 15 Ca -0.23 0.06 0.23 0.00 -0.62 0.00 0.00 57.03 56.48 2dkr h ASP 15 Cb 1.12 0.05 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 2dkr h ASP 15 CO 0.34 -0.05 0.47 -0.08 -3.12 0.00 0.00 179.24 176.80 2dkr h GLU 16 N 0.10 0.45 0.00 3.56 4.57 -1.99 -3.47 114.58 117.79 2dkr h GLU 16 Ca 0.75 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.90 2dkr h GLU 16 Cb 2.59 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 31.08 2dkr h GLU 16 CO -0.21 0.30 0.00 0.41 -1.18 0.00 0.00 179.01 178.33 2dkr n GLY 17 N -1.33 2.45 0.08 1.92 0.00 0.12 -4.99 105.19 103.44 2dkr n GLY 17 Ca 0.24 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2dkr n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkr n LEU 18 N 0.00 2.36 -0.11 0.99 7.99 -1.26 -4.66 117.00 122.31 2dkr n LEU 18 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 2dkr n LEU 18 Cb 0.00 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 2dkr n LEU 18 CO 0.00 0.69 0.00 0.61 -1.51 0.00 0.00 177.39 177.18 2dkr n GLY 19 N 2.60 1.13 3.19 -0.72 0.00 -1.26 -0.06 105.19 110.07 2dkr n GLY 19 Ca -0.28 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2dkr n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dkr s PHE 20 N -2.23 0.03 0.09 1.61 -0.71 -1.26 -2.00 117.98 113.51 2dkr s PHE 20 Ca 0.00 -0.23 0.06 0.00 -1.04 0.00 0.00 56.93 55.72 2dkr s PHE 20 Cb 0.00 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 2dkr s PHE 20 CO 0.00 -0.44 -0.15 -0.80 -1.34 0.00 0.00 175.22 172.49 2dkr s ASN 21 N -2.06 1.87 0.03 1.98 0.01 -0.42 -4.98 114.94 111.37 2dkr s ASN 21 Ca -0.05 -0.68 0.01 0.00 -0.71 0.00 0.00 52.86 51.43 2dkr s ASN 21 Cb -0.01 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.56 2dkr s ASN 21 CO -0.04 -0.08 -0.05 0.27 -1.51 0.00 0.00 177.10 175.70 2dkr s ILE 22 N -1.50 0.29 0.23 0.60 -4.36 -1.26 -0.65 121.20 114.55 2dkr s ILE 22 Ca 0.02 -0.94 -0.05 0.00 -0.26 0.00 0.00 60.65 59.42 2dkr s ILE 22 Cb -0.09 -0.40 -0.02 0.00 1.25 0.00 0.00 42.46 43.20 2dkr s ILE 22 CO 0.03 -0.42 0.28 0.00 0.24 0.00 0.00 174.94 175.06 2dkr s MET 23 N -1.44 1.38 0.02 0.37 0.23 -1.20 -4.81 119.30 113.85 2dkr s MET 23 Ca -0.13 -1.51 0.00 0.00 -1.03 0.00 0.00 55.69 53.03 2dkr s MET 23 Cb -0.10 0.35 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 2dkr s MET 23 CO -0.00 -0.51 0.00 0.41 -2.03 0.00 0.00 175.02 172.88 2dkr n GLY 24 N -0.34 -2.17 0.00 3.16 0.00 -1.26 -3.96 105.19 100.62 2dkr n GLY 24 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2dkr n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 25 N -2.45 1.27 0.32 -0.02 0.00 -0.31 -4.69 105.19 99.31 2dkr n GLY 25 Ca -0.00 -1.08 0.30 0.00 0.00 0.00 0.00 46.02 45.24 2dkr n GLY 25 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkr h LYS 26 N 0.00 0.02 -0.78 1.61 3.64 -1.78 0.16 116.57 119.44 2dkr h LYS 26 Ca 0.00 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2dkr h LYS 26 Cb 0.00 -0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.69 2dkr h LYS 26 CO 0.00 0.01 -0.46 0.93 -2.27 0.00 0.00 179.45 177.66 2dkr h GLU 27 N 0.02 -0.12 -0.59 1.90 3.07 -1.93 0.50 114.58 117.44 2dkr h GLU 27 Ca 0.83 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.69 2dkr h GLU 27 Cb 2.14 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 2dkr h GLU 27 CO -0.77 -0.08 0.00 1.04 -1.40 0.00 0.00 179.01 177.80 2dkr n GLN 28 N -5.39 2.61 -3.48 2.33 1.13 0.42 -4.92 117.38 110.08 2dkr n GLN 28 Ca 0.04 -2.09 -0.22 0.00 -1.94 0.00 0.00 57.00 52.79 2dkr n GLN 28 Cb 0.34 -1.56 0.07 0.00 0.11 0.00 0.00 30.24 29.21 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2dkr n ASN 29 N 1.03 -6.00 -4.19 1.08 3.02 0.17 -4.92 115.26 105.45 2dkr n ASN 29 Ca 0.19 -0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 54.02 2dkr n ASN 29 Cb 0.57 -4.63 -0.14 0.00 -0.61 0.00 0.00 39.78 34.97 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dkr s SER 30 N -3.27 2.09 0.70 6.41 0.15 -0.71 -4.94 113.70 114.13 2dkr s SER 30 Ca 0.53 -0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.61 2dkr s SER 30 Cb -0.23 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 2dkr s SER 30 CO 0.65 0.14 1.10 -2.16 1.20 0.00 0.00 173.24 174.18 2dkr s PRO 31 N -0.90 2.60 -0.01 5.44 0.04 -1.26 -1.16 135.00 139.75 2dkr s PRO 31 Ca 0.06 1.31 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2dkr s PRO 31 Cb -0.08 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2dkr s PRO 31 CO 0.01 -1.40 0.77 0.42 0.04 0.00 0.00 177.00 176.84 2dkr s ILE 32 N -2.54 4.89 0.33 0.56 1.01 -1.26 -4.38 121.20 119.81 2dkr s ILE 32 Ca 0.65 1.60 -0.11 0.00 0.00 0.00 0.00 60.65 62.79 2dkr s ILE 32 Cb -0.19 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.19 2dkr s ILE 32 CO 0.47 0.29 0.61 -0.72 0.00 0.00 0.00 174.94 175.58 2dkr s TYR 33 N 0.45 0.48 -0.60 3.97 -0.85 -1.25 -0.43 117.35 119.12 2dkr s TYR 33 Ca 0.40 -0.91 -0.25 0.00 -0.52 0.00 0.00 57.07 55.79 2dkr s TYR 33 Cb -0.19 0.36 0.04 0.00 0.38 0.00 0.00 41.96 42.55 2dkr s TYR 33 CO 0.22 -1.26 1.06 0.42 -1.52 0.00 0.00 175.55 174.47 2dkr s ILE 34 N -3.09 4.18 0.08 -3.49 -1.09 -1.10 -3.26 121.20 113.44 2dkr s ILE 34 Ca 0.22 0.40 -0.19 0.00 -2.23 0.00 0.00 60.65 58.85 2dkr s ILE 34 Cb -0.03 -4.66 -0.09 0.00 -1.58 0.00 0.00 42.46 36.10 2dkr s ILE 34 CO 0.14 -1.33 1.53 0.77 -1.23 0.00 0.00 174.94 174.82 2dkr h SER 35 N 9.51 0.40 -5.13 3.58 4.64 -1.20 -1.27 113.55 124.08 2dkr h SER 35 Ca -0.26 -0.29 -0.10 0.00 -0.47 0.00 0.00 61.79 60.67 2dkr h SER 35 Cb 1.06 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 62.90 2dkr h SER 35 CO 1.15 0.59 -0.40 -0.60 -0.87 0.00 0.00 176.83 176.70 2dkr s ARG 36 N -5.05 0.77 -0.07 4.77 3.52 -1.23 -4.83 118.95 116.83 2dkr s ARG 36 Ca -0.14 -0.85 0.02 0.00 -0.13 0.00 0.00 55.73 54.63 2dkr s ARG 36 Cb 0.07 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 2dkr s ARG 36 CO 0.74 -0.23 -0.12 0.08 -0.81 0.00 0.00 175.30 174.96 2dkr s VAL 37 N -3.37 1.17 0.11 7.11 1.01 -1.26 -1.30 120.40 123.86 2dkr s VAL 37 Ca 0.01 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2dkr s VAL 37 Cb 0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 2dkr s VAL 37 CO -0.08 0.37 1.55 -0.63 0.00 0.00 0.00 175.10 176.30 2dkr s ILE 38 N 0.77 2.98 -2.00 2.22 -1.09 -0.85 -4.86 121.20 118.38 2dkr s ILE 38 Ca -0.12 0.61 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 2dkr s ILE 38 Cb -0.16 -3.39 0.16 0.00 -1.58 0.00 0.00 42.46 37.50 2dkr s ILE 38 CO 0.02 0.03 0.80 -0.81 -1.23 0.00 0.00 174.94 173.75 2dkr n PRO 39 N 4.64 0.49 -2.69 2.79 -0.04 -1.26 -3.26 135.00 135.66 2dkr n PRO 39 Ca 0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2dkr n PRO 39 Cb 0.40 -1.18 0.12 0.00 -0.04 0.00 0.00 33.50 32.80 2dkr n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkr n GLY 40 N -0.02 1.49 3.70 0.55 0.00 -1.26 -5.01 105.19 104.65 2dkr n GLY 40 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2dkr n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkr s GLY 41 N -1.19 2.69 0.20 -0.02 0.00 -1.20 -5.02 107.32 102.78 2dkr s GLY 41 Ca 0.19 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 2dkr s GLY 41 CO -0.10 -2.11 1.81 -2.08 0.00 0.00 0.00 173.10 170.62 2dkr h VAL 42 N 1.52 1.00 0.60 1.40 2.07 -1.63 -2.29 116.25 118.92 2dkr h VAL 42 Ca -0.44 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2dkr h VAL 42 Cb 1.27 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2dkr h VAL 42 CO 0.76 0.12 -0.29 0.00 0.02 0.00 0.00 177.57 178.18 2dkr h ALA 43 N 1.31 -1.21 -0.95 1.67 0.00 -0.73 -2.93 119.26 116.44 2dkr h ALA 43 Ca 0.27 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2dkr h ALA 43 Cb 0.13 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 2dkr h ALA 43 CO -0.16 -1.15 -0.40 0.22 0.00 0.00 0.00 179.25 177.77 2dkr h ASP 44 N -0.82 -1.45 -1.05 0.00 3.58 -1.76 0.90 116.42 115.83 2dkr h ASP 44 Ca -0.08 0.30 0.29 0.00 0.42 0.00 0.00 57.03 57.96 2dkr h ASP 44 Cb 0.62 0.75 -0.12 0.00 1.72 0.00 0.00 39.33 42.30 2dkr h ASP 44 CO 0.14 -0.29 0.63 0.03 -2.88 0.00 0.00 179.24 176.87 2dkr h ARG 45 N -0.02 0.40 -0.07 0.28 2.47 -1.38 0.63 114.38 116.68 2dkr h ARG 45 Ca 0.32 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.99 2dkr h ARG 45 Cb 0.58 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2dkr h ARG 45 CO -0.95 0.26 -0.08 1.25 0.56 0.00 0.00 179.97 181.02 2dkr h HIS 46 N 0.41 0.21 0.00 3.04 2.76 0.99 -3.47 115.15 119.09 2dkr h HIS 46 Ca 0.68 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 2dkr h HIS 46 Cb 1.57 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.48 2dkr h HIS 46 CO -0.01 0.63 0.00 0.41 -1.30 0.00 0.00 177.93 177.66 2dkr n GLY 47 N 0.25 2.61 0.36 5.26 0.00 0.21 -4.86 105.19 109.03 2dkr n GLY 47 Ca -0.07 -0.43 0.24 0.00 0.00 0.00 0.00 46.02 45.77 2dkr n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dkr h GLY 48 N 0.00 1.82 -6.08 -0.02 0.00 -1.86 -3.37 103.07 93.55 2dkr h GLY 48 Ca 0.00 -0.23 -0.62 0.00 0.00 0.00 0.00 47.33 46.48 2dkr h GLY 48 CO 0.00 -0.39 -0.50 1.08 0.00 0.00 0.00 176.54 176.73 2dkr s LEU 49 N -10.17 4.21 0.20 3.11 1.43 -1.26 -4.98 118.68 111.22 2dkr s LEU 49 Ca -0.10 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2dkr s LEU 49 Cb 0.29 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2dkr s LEU 49 CO 0.80 0.24 0.18 -0.54 0.23 0.00 0.00 176.35 177.25 2dkr s LYS 50 N -0.01 1.21 -0.19 1.70 1.02 -1.26 -4.63 119.74 117.58 2dkr s LYS 50 Ca 0.09 -1.53 -0.29 0.00 0.02 0.00 0.00 55.97 54.26 2dkr s LYS 50 Cb -0.11 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2dkr s LYS 50 CO -0.00 -0.41 1.71 0.50 -0.92 0.00 0.00 175.35 176.23 2dkr s ARG 51 N -4.12 3.78 0.00 1.68 3.52 -1.26 -2.65 118.95 119.91 2dkr s ARG 51 Ca 0.34 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 2dkr s ARG 51 Cb 0.06 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2dkr s ARG 51 CO 0.10 -1.32 0.00 0.41 -0.81 0.00 0.00 175.30 173.67 2dkr n GLY 52 N 4.73 1.65 3.53 8.12 0.00 -0.48 -4.96 105.19 117.78 2dkr n GLY 52 Ca 0.20 -0.39 -0.50 0.00 0.00 0.00 0.00 46.02 45.33 2dkr n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dkr n ASP 53 N 0.00 2.55 -4.64 1.61 9.92 -1.08 -4.53 116.55 120.37 2dkr n ASP 53 Ca 0.00 0.56 -0.43 0.00 -0.53 0.00 0.00 54.79 54.39 2dkr n ASP 53 Cb 0.00 -1.31 -0.02 0.00 -0.64 0.00 0.00 41.12 39.15 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2dkr s GLN 54 N 5.58 4.06 -0.18 -1.24 0.74 -1.26 -2.70 119.66 124.65 2dkr s GLN 54 Ca 1.04 1.35 -0.29 0.00 0.05 0.00 0.00 55.36 57.52 2dkr s GLN 54 Cb -0.78 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 29.48 2dkr s GLN 54 CO 0.49 -0.93 1.93 -1.17 -0.55 0.00 0.00 175.29 175.07 2dkr s LEU 55 N 3.92 3.79 -0.08 3.68 2.96 0.43 -2.55 118.68 130.83 2dkr s LEU 55 Ca 0.53 1.89 -0.19 0.00 -0.22 0.00 0.00 54.13 56.15 2dkr s LEU 55 Cb -0.17 -3.52 -0.29 0.00 0.50 0.00 0.00 46.19 42.70 2dkr s LEU 55 CO 0.18 -1.53 0.72 -0.07 -1.32 0.00 0.00 176.35 174.33 2dkr h LEU 56 N 12.95 0.41 -7.01 -0.68 3.38 -1.40 -3.41 115.31 119.55 2dkr h LEU 56 Ca -0.40 -0.89 -0.03 0.00 0.09 0.00 0.00 57.88 56.65 2dkr h LEU 56 Cb 1.20 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 2dkr h LEU 56 CO 0.98 1.50 0.19 -0.94 0.09 0.00 0.00 178.44 180.26 2dkr s SER 57 N -7.00 -0.58 -0.02 -0.43 1.04 -1.25 -2.66 113.70 102.80 2dkr s SER 57 Ca -0.17 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.48 2dkr s SER 57 Cb 0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dkr s SER 57 CO 0.79 -0.86 -0.08 -0.69 0.98 0.00 0.00 173.24 173.38 2dkr s VAL 58 N -3.01 0.72 -1.19 5.02 1.01 0.07 -0.16 120.40 122.86 2dkr s VAL 58 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2dkr s VAL 58 Cb -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2dkr s VAL 58 CO -0.06 0.22 0.19 0.59 0.00 0.00 0.00 175.10 176.04 2dkr n ASN 59 N 3.22 -4.14 -0.58 3.32 3.02 0.11 -0.11 115.26 120.10 2dkr n ASN 59 Ca -0.17 -0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.31 2dkr n ASN 59 Cb 0.55 -3.46 -0.00 0.00 -0.61 0.00 0.00 39.78 36.25 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkr n GLY 60 N -0.98 0.22 2.96 7.41 0.00 -1.26 -4.99 105.19 108.55 2dkr n GLY 60 Ca -0.11 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 2dkr n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 61 N -2.26 1.06 -0.26 1.61 1.01 0.84 -5.09 120.40 117.32 2dkr s VAL 61 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 2dkr s VAL 61 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2dkr s VAL 61 CO 0.00 0.36 2.08 -0.55 0.00 0.00 0.00 175.10 176.99 2dkr s SER 62 N 1.18 5.58 0.06 3.32 0.15 -1.26 -0.75 113.70 121.98 2dkr s SER 62 Ca -0.05 1.67 0.23 0.00 0.70 0.00 0.00 55.95 58.50 2dkr s SER 62 Cb -0.14 -2.52 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 2dkr s SER 62 CO -0.02 -1.90 1.04 1.33 1.20 0.00 0.00 173.24 174.89 2dkr n VAL 63 N 7.65 0.20 -0.25 4.45 0.24 -1.09 -4.15 118.33 125.39 2dkr n VAL 63 Ca 0.28 -0.26 0.03 0.00 -2.04 0.00 0.00 64.34 62.34 2dkr n VAL 63 Cb 0.46 0.15 0.26 0.00 -1.47 0.00 0.00 33.84 33.24 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dkr h GLU 64 N 0.00 0.96 -1.33 7.34 4.39 -1.77 -2.53 114.58 121.65 2dkr h GLU 64 Ca 0.00 -0.06 -0.67 0.00 0.34 0.00 0.00 59.36 58.97 2dkr h GLU 64 Cb 0.75 -0.22 -0.33 0.00 -0.10 0.00 0.00 28.75 28.85 2dkr h GLU 64 CO 0.00 0.64 0.42 0.41 -1.16 0.00 0.00 179.01 179.31 2dkr n GLY 65 N -1.42 5.88 3.37 -3.84 0.00 -1.26 -4.97 105.19 102.96 2dkr n GLY 65 Ca 0.11 -2.49 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 2dkr n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dkr s GLU 66 N -3.82 1.23 0.39 1.61 0.41 -0.95 -5.11 118.70 112.45 2dkr s GLU 66 Ca 0.56 -1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 53.67 2dkr s GLU 66 Cb 0.46 0.39 -0.10 0.00 -1.78 0.00 0.00 34.13 33.09 2dkr s GLU 66 CO -0.15 -0.46 0.95 -0.65 -0.49 0.00 0.00 175.26 174.46 2dkr s GLN 67 N -3.99 4.35 0.14 1.61 -0.21 -1.26 -4.47 119.66 115.83 2dkr s GLN 67 Ca 0.20 1.22 -0.25 0.00 0.02 0.00 0.00 55.36 56.55 2dkr s GLN 67 Cb 0.03 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 2dkr s GLN 67 CO 0.03 0.08 1.28 1.58 -2.12 0.00 0.00 175.29 176.14 2dkr n HIS 68 N -0.17 -0.34 -0.31 0.91 -0.00 -1.26 -0.09 115.22 113.96 2dkr n HIS 68 Ca 0.05 1.04 -0.03 0.00 -0.00 0.00 0.00 57.72 58.78 2dkr n HIS 68 Cb 0.52 -0.58 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2dkr n HIS 68 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2dkr n GLU 69 N -5.05 -0.22 -0.34 1.57 2.13 -1.26 0.89 120.64 118.35 2dkr n GLU 69 Ca 0.02 1.19 0.07 0.00 0.66 0.00 0.00 57.16 59.10 2dkr n GLU 69 Cb 0.22 -1.76 0.15 0.00 0.27 0.00 0.00 31.44 30.32 2dkr n GLU 69 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2dkr n LYS 70 N -5.10 -0.08 0.04 5.31 3.00 0.88 0.32 118.16 122.52 2dkr n LYS 70 Ca 0.06 1.48 -0.11 0.00 -0.00 0.00 0.00 58.31 59.75 2dkr n LYS 70 Cb 0.28 -2.23 -0.05 0.00 0.00 0.00 0.00 35.03 33.03 2dkr n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkr h ALA 71 N 1.91 -0.04 0.54 3.14 0.00 0.47 -0.36 119.26 124.91 2dkr h ALA 71 Ca 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2dkr h ALA 71 Cb 0.75 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dkr h ALA 71 CO -0.97 -0.55 -0.28 0.28 0.00 0.00 0.00 179.25 177.72 2dkr h VAL 72 N -0.10 0.00 -1.01 0.00 2.07 0.09 -2.13 116.25 115.17 2dkr h VAL 72 Ca 0.03 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.84 2dkr h VAL 72 Cb 0.14 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.78 2dkr h VAL 72 CO -0.08 0.00 0.59 1.05 0.02 0.00 0.00 177.57 179.15 2dkr h GLU 73 N -0.75 0.42 0.17 1.57 4.11 -0.82 0.33 114.58 119.61 2dkr h GLU 73 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2dkr h GLU 73 Cb 0.59 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2dkr h GLU 73 CO 0.10 0.28 -0.15 -0.07 0.07 0.00 0.00 179.01 179.24 2dkr h LEU 74 N 0.43 -0.41 -1.03 3.06 3.38 -0.81 -1.18 115.31 118.76 2dkr h LEU 74 Ca 0.69 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.93 2dkr h LEU 74 Cb 1.50 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.27 2dkr h LEU 74 CO -0.53 -0.24 0.60 -0.07 0.09 0.00 0.00 178.44 178.30 2dkr h LEU 75 N -0.35 0.69 -0.21 1.67 3.38 -0.26 0.21 115.31 120.45 2dkr h LEU 75 Ca -0.00 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2dkr h LEU 75 Cb 0.32 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dkr h LEU 75 CO -0.03 0.14 -0.13 0.11 0.09 0.00 0.00 178.44 178.62 2dkr h LYS 76 N 0.61 0.46 -0.82 1.13 1.57 -1.15 -3.14 116.57 115.23 2dkr h LYS 76 Ca 0.63 -0.21 0.18 0.00 -1.87 0.00 0.00 60.65 59.38 2dkr h LYS 76 Cb 1.17 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 2dkr h LYS 76 CO -0.44 0.76 0.31 0.00 -0.57 0.00 0.00 179.45 179.51 2dkr h ALA 77 N 0.69 1.21 -1.75 3.86 0.00 0.25 -3.42 119.26 120.11 2dkr h ALA 77 Ca 0.04 0.15 -0.45 0.00 0.00 0.00 0.00 54.91 54.66 2dkr h ALA 77 Cb 0.64 0.16 0.23 0.00 0.00 0.00 0.00 17.79 18.82 2dkr h ALA 77 CO 0.04 -0.30 -0.90 0.00 0.00 0.00 0.00 179.25 178.08 2dkr n ALA 78 N -2.55 -3.99 -3.66 0.00 0.00 -0.92 -5.04 120.51 104.34 2dkr n ALA 78 Ca 0.18 -1.31 -0.06 0.00 0.00 0.00 0.00 53.44 52.25 2dkr n ALA 78 Cb 0.54 -1.58 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 2dkr n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dkr s GLN 79 N -3.61 0.43 0.00 0.00 -0.21 -1.26 -4.92 119.66 110.08 2dkr s GLN 79 Ca 0.58 1.16 0.00 0.00 0.02 0.00 0.00 55.36 57.12 2dkr s GLN 79 Cb -0.14 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.35 2dkr s GLN 79 CO 0.66 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2dkr n GLY 80 N 5.28 2.40 3.53 3.09 0.00 -1.26 -4.92 105.19 113.30 2dkr n GLY 80 Ca -0.11 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 2dkr n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 81 N 0.14 -0.39 -0.02 1.61 0.01 -1.26 -0.66 113.70 113.13 2dkr s SER 81 Ca 0.00 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.49 2dkr s SER 81 Cb 0.00 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 2dkr s SER 81 CO 0.00 -0.53 -0.15 0.68 0.41 0.00 0.00 173.24 173.65 2dkr s VAL 82 N -2.30 1.21 -0.42 3.43 -7.23 -0.16 -4.76 120.40 110.16 2dkr s VAL 82 Ca 0.02 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 2dkr s VAL 82 Cb -0.01 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.93 2dkr s VAL 82 CO -0.04 0.35 0.32 -0.54 -0.31 0.00 0.00 175.10 174.88 2dkr s LYS 83 N -0.16 2.97 -0.31 4.82 1.02 -1.26 -2.00 119.74 124.82 2dkr s LYS 83 Ca 0.02 -1.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.85 2dkr s LYS 83 Cb -0.08 -4.01 0.02 0.00 -0.52 0.00 0.00 37.83 33.24 2dkr s LYS 83 CO 0.00 -0.81 0.09 -0.51 -0.92 0.00 0.00 175.35 173.21 2dkr s LEU 84 N 1.67 4.02 0.22 3.17 1.43 0.16 0.06 118.68 129.40 2dkr s LEU 84 Ca 0.05 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2dkr s LEU 84 Cb -0.20 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 2dkr s LEU 84 CO 0.09 -0.24 0.57 -0.69 0.23 0.00 0.00 176.35 176.31 2dkr s VAL 85 N 1.47 4.88 0.16 -1.59 1.01 0.77 -0.62 120.40 126.48 2dkr s VAL 85 Ca 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2dkr s VAL 85 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2dkr s VAL 85 CO 0.03 0.01 0.11 0.68 0.00 0.00 0.00 175.10 175.93 2dkr s VAL 86 N -1.73 0.06 -0.29 2.92 -7.23 -1.26 -1.07 120.40 111.79 2dkr s VAL 86 Ca 0.45 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2dkr s VAL 86 Cb -0.12 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.66 2dkr s VAL 86 CO 0.20 -0.27 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.12 2dkr s ARG 87 N -4.08 2.52 -0.08 4.82 3.52 -1.06 -4.39 118.95 120.21 2dkr s ARG 87 Ca 0.29 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.66 2dkr s ARG 87 Cb 0.07 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2dkr s ARG 87 CO 0.06 -0.59 0.05 -1.54 -0.81 0.00 0.00 175.30 172.47 2dkr s SER 88 N 1.28 5.57 0.00 -2.12 1.04 -1.26 -4.47 113.70 113.74 2dkr s SER 88 Ca -0.04 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2dkr s SER 88 Cb -0.19 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2dkr s SER 88 CO -0.01 0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dkr n GLY 89 N 1.92 -0.68 0.00 7.32 0.00 -1.26 -4.96 105.19 107.52 2dkr n GLY 89 Ca -0.18 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.46 2dkr n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkr n PRO 90 N 0.00 0.40 0.15 1.61 -0.04 -1.26 -3.78 135.00 132.09 2dkr n PRO 90 Ca 0.00 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2dkr n PRO 90 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2dkr n PRO 90 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dkr h SER 91 N 0.00 -0.91 -2.74 3.54 0.02 -1.94 -3.44 113.55 108.07 2dkr h SER 91 Ca 0.00 0.08 -0.53 0.00 -0.84 0.00 0.00 61.79 60.50 2dkr h SER 91 Cb 0.04 0.31 -0.14 0.00 0.14 0.00 0.00 62.40 62.75 2dkr h SER 91 CO 0.00 -0.40 -0.75 -0.44 -1.14 0.00 0.00 176.83 174.10 2dkr s SER 92 N -3.64 3.08 0.00 3.07 0.01 -1.25 -5.23 113.70 109.74 2dkr s SER 92 Ca -0.11 -1.02 0.29 0.00 1.31 0.00 0.00 55.95 56.42 2dkr s SER 92 Cb 0.03 -0.22 1.22 0.00 0.21 0.00 0.00 66.02 67.26 2dkr s SER 92 CO 0.38 -0.06 1.84 0.61 0.41 0.00 0.00 173.24 176.42