#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 1.87 -0.20 1.61 7.64 -1.26 -4.54 113.62 118.74 2dkr n SER 2 Ca 0.00 0.49 -0.05 0.00 1.01 0.00 0.00 58.87 60.31 2dkr n SER 2 Cb 0.00 -0.82 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 2dkr n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dkr h SER 3 N -1.00 -1.16 -3.94 6.43 0.87 -2.12 -3.40 113.55 109.23 2dkr h SER 3 Ca -0.07 0.23 -0.50 0.00 -1.23 0.00 0.00 61.79 60.22 2dkr h SER 3 Cb 0.82 0.57 0.03 0.00 -0.44 0.00 0.00 62.40 63.39 2dkr h SER 3 CO -0.04 -0.30 0.46 -0.83 -0.53 0.00 0.00 176.83 175.58 2dkr s GLY 4 N -3.12 2.83 0.27 5.77 0.00 -1.26 -5.05 107.32 106.75 2dkr s GLY 4 Ca -0.14 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.46 2dkr s GLY 4 CO 0.69 1.33 0.40 -0.56 0.00 0.00 0.00 173.10 174.96 2dkr s SER 5 N -1.31 6.27 0.76 1.64 0.01 -1.26 -4.59 113.70 115.22 2dkr s SER 5 Ca 0.57 0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.82 2dkr s SER 5 Cb -0.27 -1.81 0.05 0.00 0.21 0.00 0.00 66.02 64.20 2dkr s SER 5 CO 0.34 -0.15 1.09 -0.44 0.41 0.00 0.00 173.24 174.49 2dkr s SER 6 N -4.01 4.59 -1.40 2.44 0.01 -1.26 -4.89 113.70 109.17 2dkr s SER 6 Ca 0.36 1.83 -0.12 0.00 1.31 0.00 0.00 55.95 59.33 2dkr s SER 6 Cb -0.09 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 2dkr s SER 6 CO 0.30 -1.98 2.50 0.61 0.41 0.00 0.00 173.24 175.08 2dkr n GLY 7 N -1.19 4.03 3.74 3.44 0.00 -1.15 -4.94 105.19 109.12 2dkr n GLY 7 Ca 0.09 -1.44 -0.41 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 2.96 3.10 -0.34 1.61 0.11 -1.26 -3.20 120.40 123.38 2dkr s VAL 8 Ca 0.57 0.89 0.03 0.00 -2.93 0.00 0.00 61.98 60.53 2dkr s VAL 8 Cb 0.15 -3.57 0.09 0.00 -1.53 0.00 0.00 36.38 31.53 2dkr s VAL 8 CO -0.05 0.12 0.04 -0.69 -3.33 0.00 0.00 175.10 171.20 2dkr s VAL 9 N 0.25 2.43 -0.38 2.04 1.01 0.72 -4.95 120.40 121.52 2dkr s VAL 9 Ca 0.59 -2.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.17 2dkr s VAL 9 Cb -0.38 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2dkr s VAL 9 CO 0.38 -0.50 0.85 -0.70 0.00 0.00 0.00 175.10 175.13 2dkr s GLU 10 N 0.98 3.76 0.16 2.72 -6.30 -1.26 -2.77 118.70 115.99 2dkr s GLU 10 Ca 0.07 0.39 0.09 0.00 -2.50 0.00 0.00 54.97 53.02 2dkr s GLU 10 Cb -0.20 -3.82 -0.04 0.00 0.00 0.00 0.00 34.13 30.07 2dkr s GLU 10 CO -0.07 -0.92 -0.13 -0.51 0.02 0.00 0.00 175.26 173.65 2dkr s LEU 11 N 3.30 2.85 0.04 2.70 1.43 -0.99 -4.94 118.68 123.07 2dkr s LEU 11 Ca 0.34 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 2dkr s LEU 11 Cb -0.12 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 2dkr s LEU 11 CO 0.18 0.13 1.42 -2.16 0.23 0.00 0.00 176.35 176.15 2dkr s PRO 12 N -2.61 4.29 -0.42 1.29 0.04 -1.26 -0.77 135.00 135.55 2dkr s PRO 12 Ca 0.23 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 2dkr s PRO 12 Cb -0.09 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.99 2dkr s PRO 12 CO 0.13 -0.54 0.57 0.21 0.04 0.00 0.00 177.00 177.42 2dkr s LYS 13 N 2.00 3.27 -0.02 4.56 2.47 0.06 -4.82 119.74 127.27 2dkr s LYS 13 Ca 0.65 -0.44 -0.28 0.00 -1.56 0.00 0.00 55.97 54.33 2dkr s LYS 13 Cb -0.34 -3.94 0.09 0.00 -1.46 0.00 0.00 37.83 32.19 2dkr s LYS 13 CO 0.28 -0.92 0.79 -0.08 0.16 0.00 0.00 175.35 175.58 2dkr s THR 14 N 2.59 0.00 0.29 3.43 -1.32 -1.26 -3.52 115.64 115.85 2dkr s THR 14 Ca 0.19 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.87 2dkr s THR 14 Cb -0.15 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.15 2dkr s THR 14 CO 0.17 0.00 1.14 -0.67 -2.21 0.00 0.00 174.62 173.05 2dkr n ASP 15 N 0.27 0.21 -0.34 8.08 2.03 -1.26 0.50 116.55 126.03 2dkr n ASP 15 Ca -0.14 1.11 0.04 0.00 0.52 0.00 0.00 54.79 56.32 2dkr n ASP 15 Cb 0.60 -0.54 0.11 0.00 -0.72 0.00 0.00 41.12 40.57 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2dkr h GLU 16 N 0.00 -0.01 0.00 -0.67 4.57 -1.95 -3.47 114.58 113.05 2dkr h GLU 16 Ca 0.63 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.81 2dkr h GLU 16 Cb 1.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 2dkr h GLU 16 CO -0.45 -0.00 0.00 0.41 -1.18 0.00 0.00 179.01 177.78 2dkr n GLY 17 N -1.58 1.37 0.11 1.92 0.00 0.18 -4.90 105.19 102.30 2dkr n GLY 17 Ca 0.14 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 2.21 -0.42 0.99 7.99 -1.26 -4.60 117.00 121.90 2dkr n LEU 18 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2dkr n LEU 18 Cb 0.00 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.82 2dkr n LEU 18 CO 0.00 0.78 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 2dkr n GLY 19 N 2.25 0.74 3.19 -0.72 0.00 -1.26 0.40 105.19 109.79 2dkr n GLY 19 Ca -0.38 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.39 0.04 0.13 1.61 -0.12 -1.26 -1.53 117.98 114.45 2dkr s PHE 20 Ca 0.00 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.68 2dkr s PHE 20 Cb 0.00 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2dkr s PHE 20 CO 0.00 -0.45 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.76 2dkr s ASN 21 N -2.14 2.25 -0.00 1.98 -0.87 -0.24 -4.99 114.94 110.92 2dkr s ASN 21 Ca -0.04 -0.78 -0.01 0.00 -1.57 0.00 0.00 52.86 50.46 2dkr s ASN 21 Cb -0.01 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.25 41.12 2dkr s ASN 21 CO -0.04 -0.07 0.02 0.27 -2.57 0.00 0.00 177.10 174.70 2dkr s ILE 22 N -1.86 0.01 0.22 0.60 -4.36 -1.26 -0.35 121.20 114.20 2dkr s ILE 22 Ca 0.09 -0.09 0.06 0.00 -0.26 0.00 0.00 60.65 60.46 2dkr s ILE 22 Cb -0.06 -0.06 -0.05 0.00 1.25 0.00 0.00 42.46 43.54 2dkr s ILE 22 CO 0.04 -0.05 -0.09 0.00 0.24 0.00 0.00 174.94 175.08 2dkr s MET 23 N -0.13 1.34 0.00 0.37 0.23 -1.17 -4.82 119.30 115.12 2dkr s MET 23 Ca -0.02 -1.63 0.00 0.00 -1.03 0.00 0.00 55.69 53.01 2dkr s MET 23 Cb -0.01 -0.96 0.00 0.00 -1.53 0.00 0.00 34.83 32.33 2dkr s MET 23 CO -0.00 0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.48 2dkr n GLY 24 N -0.41 -1.79 0.00 3.16 0.00 -1.26 -3.86 105.19 101.03 2dkr n GLY 24 Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 0.53 0.04 -0.02 0.00 -1.22 -4.49 105.19 100.03 2dkr n GLY 25 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 2dkr n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkr n LYS 26 N 0.00 0.22 -0.31 1.61 4.81 -1.26 -3.55 118.16 119.68 2dkr n LYS 26 Ca 0.00 0.22 0.15 0.00 -0.87 0.00 0.00 58.31 57.81 2dkr n LYS 26 Cb 0.00 -1.03 0.33 0.00 0.02 0.00 0.00 35.03 34.35 2dkr n LYS 26 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2dkr h GLU 27 N -0.44 0.31 0.00 1.64 4.11 -1.98 1.00 114.58 119.22 2dkr h GLU 27 Ca 0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 2dkr h GLU 27 Cb 0.34 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2dkr h GLU 27 CO 0.00 0.21 -0.26 1.96 0.07 0.00 0.00 179.01 180.98 2dkr h GLN 28 N 0.32 0.00 -5.24 1.06 4.20 -1.89 -3.46 115.11 110.10 2dkr h GLN 28 Ca 0.58 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.95 2dkr h GLN 28 Cb 1.17 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.08 2dkr h GLN 28 CO -0.58 0.26 -0.60 -1.71 -0.67 0.00 0.00 178.83 175.53 2dkr n ASN 29 N -3.74 -5.72 -4.19 1.46 5.15 0.35 -4.94 115.26 103.63 2dkr n ASN 29 Ca -0.01 -0.47 -0.12 0.00 -0.60 0.00 0.00 54.58 53.38 2dkr n ASN 29 Cb 0.37 -4.47 -0.10 0.00 -0.53 0.00 0.00 39.78 35.05 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dkr s SER 30 N -3.31 1.19 0.21 1.20 0.01 -1.23 -5.03 113.70 106.73 2dkr s SER 30 Ca 0.50 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2dkr s SER 30 Cb -0.22 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.02 2dkr s SER 30 CO 0.64 -0.49 1.29 -2.16 0.41 0.00 0.00 173.24 172.93 2dkr s PRO 31 N -3.86 4.40 -0.00 12.44 0.04 -1.26 -3.39 135.00 143.38 2dkr s PRO 31 Ca 0.16 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 2dkr s PRO 31 Cb 0.05 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2dkr s PRO 31 CO -0.02 -0.22 1.33 0.42 0.04 0.00 0.00 177.00 178.56 2dkr s ILE 32 N -0.06 3.86 0.24 0.56 1.01 -1.26 -4.77 121.20 120.78 2dkr s ILE 32 Ca 0.55 1.24 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 2dkr s ILE 32 Cb -0.36 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2dkr s ILE 32 CO 0.39 0.01 0.50 -0.72 0.00 0.00 0.00 174.94 175.12 2dkr s TYR 33 N 2.19 0.26 -0.17 3.97 -0.85 -1.25 0.56 117.35 122.06 2dkr s TYR 33 Ca 0.61 -0.63 -0.29 0.00 -0.52 0.00 0.00 57.07 56.24 2dkr s TYR 33 Cb -0.30 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 2dkr s TYR 33 CO 0.26 -1.00 1.45 0.42 -1.52 0.00 0.00 175.55 175.16 2dkr s ILE 34 N -3.99 3.95 -0.09 -3.49 -1.09 -0.71 -3.05 121.20 112.73 2dkr s ILE 34 Ca 0.20 1.12 -0.25 0.00 -2.23 0.00 0.00 60.65 59.48 2dkr s ILE 34 Cb -0.01 -3.81 -0.27 0.00 -1.58 0.00 0.00 42.46 36.78 2dkr s ILE 34 CO 0.07 -0.20 0.87 0.77 -1.23 0.00 0.00 174.94 175.22 2dkr h SER 35 N 9.28 0.22 -5.18 3.58 4.64 -1.01 -2.39 113.55 122.69 2dkr h SER 35 Ca -0.31 -0.93 -0.10 0.00 -0.47 0.00 0.00 61.79 59.98 2dkr h SER 35 Cb 1.13 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 2dkr h SER 35 CO 0.98 1.13 -0.45 -0.60 -0.87 0.00 0.00 176.83 177.02 2dkr s ARG 36 N -2.50 0.79 -0.04 4.77 3.52 -1.22 -4.87 118.95 119.39 2dkr s ARG 36 Ca -0.16 -1.04 0.01 0.00 -0.13 0.00 0.00 55.73 54.41 2dkr s ARG 36 Cb -0.01 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 2dkr s ARG 36 CO 0.75 -0.23 -0.05 0.08 -0.81 0.00 0.00 175.30 175.04 2dkr s VAL 37 N -3.88 0.55 -0.07 7.11 1.01 -1.26 -1.08 120.40 122.78 2dkr s VAL 37 Ca 0.06 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2dkr s VAL 37 Cb 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2dkr s VAL 37 CO -0.10 0.22 1.47 -0.63 0.00 0.00 0.00 175.10 176.06 2dkr s ILE 38 N 0.81 3.82 -2.00 2.22 -1.09 -0.58 -4.87 121.20 119.51 2dkr s ILE 38 Ca -0.11 1.06 0.10 0.00 -2.23 0.00 0.00 60.65 59.47 2dkr s ILE 38 Cb -0.14 -3.68 0.28 0.00 -1.58 0.00 0.00 42.46 37.34 2dkr s ILE 38 CO 0.00 -0.07 1.03 -0.81 -1.23 0.00 0.00 174.94 173.86 2dkr n PRO 39 N 6.48 0.49 -2.70 2.79 -0.04 -1.26 -3.26 135.00 137.50 2dkr n PRO 39 Ca 0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 2dkr n PRO 39 Cb 0.44 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.43 0.00 0.55 0.00 -1.26 -4.96 105.19 100.92 2dkr n GLY 40 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2dkr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 41 N -0.34 5.98 0.14 -0.02 0.00 -1.20 -5.04 105.19 104.70 2dkr n GLY 41 Ca 0.03 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 2dkr n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dkr h VAL 42 N 0.00 1.25 -0.15 1.61 2.07 -1.54 -3.07 116.25 116.43 2dkr h VAL 42 Ca 0.00 -2.73 -0.00 0.00 0.82 0.00 0.00 66.70 64.79 2dkr h VAL 42 Cb 0.00 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2dkr h VAL 42 CO 0.00 0.83 0.09 0.00 0.02 0.00 0.00 177.57 178.51 2dkr h ALA 43 N 0.22 0.19 0.74 1.67 0.00 -0.29 0.10 119.26 121.89 2dkr h ALA 43 Ca -0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2dkr h ALA 43 Cb 2.13 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.87 2dkr h ALA 43 CO 0.25 -0.31 -0.36 0.22 0.00 0.00 0.00 179.25 179.06 2dkr h ASP 44 N 0.18 -0.84 0.36 0.00 3.58 -1.72 -2.19 116.42 115.79 2dkr h ASP 44 Ca 0.05 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2dkr h ASP 44 Cb 0.01 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2dkr h ASP 44 CO -0.01 -0.58 -0.46 0.03 -2.88 0.00 0.00 179.24 175.34 2dkr h ARG 45 N -1.03 -0.83 -0.84 0.28 3.08 -1.51 -2.81 114.38 110.72 2dkr h ARG 45 Ca -0.10 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.12 2dkr h ARG 45 Cb 0.77 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.87 2dkr h ARG 45 CO 0.17 -0.55 -0.43 1.25 -1.07 0.00 0.00 179.97 179.33 2dkr h HIS 46 N -0.86 -1.27 -1.69 3.04 2.76 -0.81 -3.47 115.15 112.86 2dkr h HIS 46 Ca -0.03 0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2dkr h HIS 46 Cb 0.78 0.67 0.00 0.00 1.55 0.00 0.00 27.41 30.42 2dkr h HIS 46 CO -0.28 -0.40 0.00 0.41 -1.30 0.00 0.00 177.93 176.35 2dkr n GLY 47 N -1.41 0.16 0.00 5.26 0.00 -0.82 -5.03 105.19 103.34 2dkr n GLY 47 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2dkr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 48 N -0.53 0.21 3.77 -0.02 0.00 -1.26 -5.12 105.19 102.24 2dkr n GLY 48 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2dkr n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkr s LEU 49 N -2.22 3.94 0.25 0.99 1.43 -1.26 -5.01 118.68 116.79 2dkr s LEU 49 Ca 0.00 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 2dkr s LEU 49 Cb 0.00 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2dkr s LEU 49 CO 0.00 0.39 0.58 -0.54 0.23 0.00 0.00 176.35 177.01 2dkr s LYS 50 N -0.92 1.60 -0.00 1.70 1.02 -1.26 -4.66 119.74 117.22 2dkr s LYS 50 Ca 0.14 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 2dkr s LYS 50 Cb -0.12 0.54 -0.07 0.00 -0.52 0.00 0.00 37.83 37.66 2dkr s LYS 50 CO 0.03 -0.70 1.78 0.50 -0.92 0.00 0.00 175.35 176.04 2dkr s ARG 51 N -3.95 4.17 0.00 1.68 3.52 -1.26 -2.74 118.95 120.37 2dkr s ARG 51 Ca 0.15 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 2dkr s ARG 51 Cb -0.03 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 2dkr s ARG 51 CO 0.05 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 174.08 2dkr n GLY 52 N 4.28 3.38 3.67 8.12 0.00 -0.90 -4.97 105.19 118.78 2dkr n GLY 52 Ca 0.18 -1.07 -0.51 0.00 0.00 0.00 0.00 46.02 44.61 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 3.01 -4.69 1.61 9.92 -1.11 -4.56 116.55 120.73 2dkr n ASP 53 Ca 0.00 0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 54.79 2dkr n ASP 53 Cb 0.00 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.16 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 4.15 4.40 -0.15 -1.24 0.74 -1.26 -1.74 119.66 124.55 2dkr s GLN 54 Ca 0.96 1.20 -0.29 0.00 0.05 0.00 0.00 55.36 57.28 2dkr s GLN 54 Cb -0.82 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 29.71 2dkr s GLN 54 CO 0.56 -0.24 1.84 -1.17 -0.55 0.00 0.00 175.29 175.73 2dkr s LEU 55 N 1.79 3.94 -0.15 3.68 2.96 0.19 -3.67 118.68 127.42 2dkr s LEU 55 Ca 0.44 1.96 -0.10 0.00 -0.22 0.00 0.00 54.13 56.20 2dkr s LEU 55 Cb -0.18 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2dkr s LEU 55 CO 0.17 -1.35 -0.16 0.18 -1.32 0.00 0.00 176.35 173.86 2dkr n LEU 56 N 8.91 1.82 -3.76 -0.68 4.77 -0.02 -4.46 117.00 123.57 2dkr n LEU 56 Ca 0.21 0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2dkr n LEU 56 Cb 0.44 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 2dkr n LEU 56 CO 0.66 -0.41 0.00 -0.94 -1.33 0.00 0.00 177.39 175.37 2dkr s SER 57 N -5.82 -0.31 -0.03 -1.43 1.04 -1.14 -1.31 113.70 104.70 2dkr s SER 57 Ca -0.17 0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.86 2dkr s SER 57 Cb 0.02 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2dkr s SER 57 CO 0.25 -0.19 -0.24 -0.69 0.98 0.00 0.00 173.24 173.35 2dkr s VAL 58 N -0.19 1.91 -1.36 5.02 1.01 -0.24 -0.21 120.40 126.35 2dkr s VAL 58 Ca -0.03 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.86 2dkr s VAL 58 Cb -0.03 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.79 2dkr s VAL 58 CO 0.01 0.54 0.45 0.59 0.00 0.00 0.00 175.10 176.69 2dkr n ASN 59 N 2.66 -4.60 -1.11 3.32 5.03 0.95 -0.51 115.26 120.99 2dkr n ASN 59 Ca -0.16 -0.27 -0.10 0.00 0.87 0.00 0.00 54.58 54.92 2dkr n ASN 59 Cb 0.52 -3.78 -0.00 0.00 -1.02 0.00 0.00 39.78 35.49 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dkr n GLY 60 N -1.24 -0.02 2.93 7.41 0.00 -1.26 -4.99 105.19 108.02 2dkr n GLY 60 Ca -0.07 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.49 1.02 -0.06 1.61 1.01 0.33 -5.10 120.40 116.72 2dkr s VAL 61 Ca 0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2dkr s VAL 61 Cb -0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 2dkr s VAL 61 CO 0.01 0.36 1.96 -0.44 0.00 0.00 0.00 175.10 176.99 2dkr s SER 62 N 1.46 6.22 -0.08 3.32 0.01 -1.26 -1.08 113.70 122.28 2dkr s SER 62 Ca 0.00 2.33 0.11 0.00 1.31 0.00 0.00 55.95 59.70 2dkr s SER 62 Cb -0.13 -2.53 0.22 0.00 0.21 0.00 0.00 66.02 63.79 2dkr s SER 62 CO -0.05 -1.29 1.14 1.33 0.41 0.00 0.00 173.24 174.78 2dkr n VAL 63 N 6.18 1.54 -0.17 3.43 0.24 -0.43 -4.69 118.33 124.44 2dkr n VAL 63 Ca 0.22 -1.65 -0.00 0.00 -2.04 0.00 0.00 64.34 60.87 2dkr n VAL 63 Cb 0.43 0.09 0.25 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.42 0.89 -1.39 7.34 3.07 -1.67 -3.11 114.58 120.13 2dkr h GLU 64 Ca 0.00 -0.09 -0.56 0.00 -0.50 0.00 0.00 59.36 58.21 2dkr h GLU 64 Cb 0.85 -0.18 -0.42 0.00 -0.84 0.00 0.00 28.75 28.16 2dkr h GLU 64 CO 0.03 0.65 -0.78 0.41 -1.40 0.00 0.00 179.01 177.91 2dkr n GLY 65 N -1.25 5.61 3.22 -3.84 0.00 -1.26 -4.88 105.19 102.78 2dkr n GLY 65 Ca 0.06 -2.61 -0.13 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.51 0.98 0.78 1.61 0.41 -1.18 -5.15 118.70 112.65 2dkr s GLU 66 Ca 0.46 -1.41 -0.10 0.00 -0.41 0.00 0.00 54.97 53.50 2dkr s GLU 66 Cb 0.41 -0.47 0.06 0.00 -1.78 0.00 0.00 34.13 32.34 2dkr s GLU 66 CO -0.15 0.04 1.09 1.14 -0.49 0.00 0.00 175.26 176.90 2dkr s GLN 67 N -3.78 2.23 0.12 1.61 -2.07 -1.26 -4.55 119.66 111.95 2dkr s GLN 67 Ca 0.15 1.17 -0.26 0.00 -1.82 0.00 0.00 55.36 54.61 2dkr s GLN 67 Cb 0.04 -1.89 -0.06 0.00 -1.09 0.00 0.00 33.01 30.00 2dkr s GLN 67 CO -0.01 -1.67 1.64 1.25 -1.32 0.00 0.00 175.29 175.18 2dkr h HIS 68 N -1.15 -0.68 -0.91 9.60 -0.00 -1.86 -2.61 115.15 117.54 2dkr h HIS 68 Ca -0.44 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.10 2dkr h HIS 68 Cb 1.23 0.30 -0.15 0.00 -0.00 0.00 0.00 27.41 28.79 2dkr h HIS 68 CO 0.58 -0.35 -0.38 0.93 -0.00 0.00 0.00 177.93 178.71 2dkr h GLU 69 N -0.41 -0.03 -0.94 5.26 3.07 -1.92 0.19 114.58 119.80 2dkr h GLU 69 Ca 0.06 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.09 2dkr h GLU 69 Cb 0.48 0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 28.23 2dkr h GLU 69 CO -0.21 -0.02 -0.30 -0.22 -1.40 0.00 0.00 179.01 176.85 2dkr h LYS 70 N -0.04 -0.01 0.38 2.33 1.63 -1.84 0.17 116.57 119.19 2dkr h LYS 70 Ca 0.32 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 2dkr h LYS 70 Cb 0.59 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2dkr h LYS 70 CO -0.92 -0.01 -0.23 0.00 -3.45 0.00 0.00 179.45 174.84 2dkr h ALA 71 N 1.65 -0.57 -0.62 5.00 0.00 -0.66 -2.59 119.26 121.48 2dkr h ALA 71 Ca 0.40 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2dkr h ALA 71 Cb 0.65 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 2dkr h ALA 71 CO -0.96 -0.83 0.06 0.28 0.00 0.00 0.00 179.25 177.80 2dkr h VAL 72 N -0.58 0.54 -0.26 0.00 2.07 -0.36 -1.51 116.25 116.16 2dkr h VAL 72 Ca -0.04 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.48 2dkr h VAL 72 Cb 0.47 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 2dkr h VAL 72 CO 0.05 0.03 -0.18 -0.33 0.02 0.00 0.00 177.57 177.16 2dkr h GLU 73 N 0.17 -0.16 -0.24 1.57 4.39 -0.56 -2.47 114.58 117.28 2dkr h GLU 73 Ca 0.33 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.10 2dkr h GLU 73 Cb 0.52 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.13 2dkr h GLU 73 CO -0.48 -0.11 -0.37 -0.07 -1.16 0.00 0.00 179.01 176.82 2dkr h LEU 74 N -0.17 -1.19 -0.97 1.33 3.38 -0.90 -0.76 115.31 116.03 2dkr h LEU 74 Ca 0.14 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.47 2dkr h LEU 74 Cb 0.38 0.51 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 2dkr h LEU 74 CO -0.36 -0.37 -0.29 -0.07 0.09 0.00 0.00 178.44 177.44 2dkr h LEU 75 N -0.38 -1.06 -0.62 1.67 3.38 -1.07 0.65 115.31 117.88 2dkr h LEU 75 Ca 0.11 0.30 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 2dkr h LEU 75 Cb 0.58 0.65 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2dkr h LEU 75 CO -0.45 -0.31 0.17 0.11 0.09 0.00 0.00 178.44 178.04 2dkr h LYS 76 N -0.00 0.98 -0.84 1.13 1.57 -1.13 -2.86 116.57 115.41 2dkr h LYS 76 Ca 0.43 -0.23 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 2dkr h LYS 76 Cb 0.68 -0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 2dkr h LYS 76 CO -1.00 0.88 0.44 0.00 -0.57 0.00 0.00 179.45 179.21 2dkr h ALA 77 N 1.05 1.25 -2.38 3.86 0.00 0.16 -3.42 119.26 119.79 2dkr h ALA 77 Ca 0.20 0.07 -0.52 0.00 0.00 0.00 0.00 54.91 54.66 2dkr h ALA 77 Cb 0.33 -0.04 0.17 0.00 0.00 0.00 0.00 17.79 18.25 2dkr h ALA 77 CO -0.00 -0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.49 2dkr s ALA 78 N -5.99 1.82 -0.07 0.00 0.00 -0.42 -5.05 121.76 112.06 2dkr s ALA 78 Ca -0.12 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2dkr s ALA 78 Cb 0.21 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2dkr s ALA 78 CO 0.78 -2.30 0.16 -0.65 0.00 0.00 0.00 175.76 173.75 2dkr s GLN 79 N -4.53 0.11 0.00 0.00 -1.52 -1.26 -4.87 119.66 107.59 2dkr s GLN 79 Ca 0.67 0.39 0.00 0.00 -1.95 0.00 0.00 55.36 54.47 2dkr s GLN 79 Cb -0.23 -0.17 0.00 0.00 -0.22 0.00 0.00 33.01 32.39 2dkr s GLN 79 CO 0.54 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.83 2dkr n GLY 80 N 4.19 1.70 3.56 3.09 0.00 -1.23 -4.86 105.19 111.65 2dkr n GLY 80 Ca -0.26 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 0.05 -0.39 0.29 1.61 0.01 -1.26 -0.76 113.70 113.25 2dkr s SER 81 Ca 0.00 0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.70 2dkr s SER 81 Cb 0.00 0.33 -0.06 0.00 0.21 0.00 0.00 66.02 66.51 2dkr s SER 81 CO 0.00 -0.41 -0.13 0.68 0.41 0.00 0.00 173.24 173.79 2dkr s VAL 82 N -1.51 2.15 -0.27 3.43 -7.23 0.05 -4.74 120.40 112.28 2dkr s VAL 82 Ca -0.01 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 57.92 2dkr s VAL 82 Cb -0.01 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.60 2dkr s VAL 82 CO 0.00 -0.34 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.85 2dkr s LYS 83 N -3.60 1.89 -0.32 4.82 1.02 -1.26 -2.35 119.74 119.94 2dkr s LYS 83 Ca 0.30 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 54.83 2dkr s LYS 83 Cb -0.00 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2dkr s LYS 83 CO 0.14 -0.67 0.11 -0.51 -0.92 0.00 0.00 175.35 173.49 2dkr s LEU 84 N 1.14 4.09 -0.31 3.17 1.43 -1.11 -0.03 118.68 127.04 2dkr s LEU 84 Ca -0.03 -0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 2dkr s LEU 84 Cb -0.19 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2dkr s LEU 84 CO -0.07 -0.25 0.55 -0.69 0.23 0.00 0.00 176.35 176.12 2dkr s VAL 85 N 1.49 5.00 0.33 -1.59 1.01 0.71 -0.20 120.40 127.14 2dkr s VAL 85 Ca 0.01 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.72 2dkr s VAL 85 Cb -0.18 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2dkr s VAL 85 CO 0.03 -0.12 0.02 0.68 0.00 0.00 0.00 175.10 175.71 2dkr s VAL 86 N 2.45 2.78 -0.41 2.92 -7.23 -1.19 -0.84 120.40 118.88 2dkr s VAL 86 Ca 0.21 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2dkr s VAL 86 Cb -0.15 -2.81 0.07 0.00 0.56 0.00 0.00 36.38 34.05 2dkr s VAL 86 CO 0.12 -0.23 0.24 -0.60 -0.31 0.00 0.00 175.10 174.32 2dkr s ARG 87 N -3.72 2.65 -0.04 4.82 6.06 -1.24 -2.91 118.95 124.57 2dkr s ARG 87 Ca 0.35 -1.37 -0.04 0.00 -2.50 0.00 0.00 55.73 52.17 2dkr s ARG 87 Cb -0.01 -3.76 -0.04 0.00 0.06 0.00 0.00 34.95 31.20 2dkr s ARG 87 CO 0.20 -0.89 0.17 0.45 -2.50 0.00 0.00 175.30 172.73 2dkr s SER 88 N 1.97 6.36 0.00 -2.12 0.15 -1.26 -4.66 113.70 114.14 2dkr s SER 88 Ca 0.02 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dkr s SER 88 Cb -0.22 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dkr s SER 88 CO 0.03 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dkr n GLY 89 N 1.24 0.58 3.77 9.45 0.00 -1.26 -5.01 105.19 113.96 2dkr n GLY 89 Ca -0.13 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 2dkr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkr s PRO 90 N 1.95 2.55 0.01 1.61 0.04 -1.26 -5.07 135.00 134.83 2dkr s PRO 90 Ca 0.00 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2dkr s PRO 90 Cb 0.00 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2dkr s PRO 90 CO 0.00 -1.43 0.01 -1.54 0.04 0.00 0.00 177.00 174.08 2dkr s SER 91 N -2.96 0.12 0.19 6.66 1.04 -1.26 -5.16 113.70 112.33 2dkr s SER 91 Ca 0.64 -0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.58 2dkr s SER 91 Cb -0.19 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.08 2dkr s SER 91 CO 0.48 -0.20 0.62 -0.44 0.98 0.00 0.00 173.24 174.69 2dkr s SER 92 N -0.91 -0.47 0.00 7.02 0.01 -1.26 -5.36 113.70 112.73 2dkr s SER 92 Ca -0.10 -0.18 0.20 0.00 1.31 0.00 0.00 55.95 57.17 2dkr s SER 92 Cb -0.06 0.63 0.16 0.00 0.21 0.00 0.00 66.02 66.95 2dkr s SER 92 CO -0.00 -1.07 1.12 0.61 0.41 0.00 0.00 173.24 174.31