#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr s SER 2 N 0.00 -0.02 -0.04 1.61 1.04 -1.26 -5.17 113.70 109.85 2dkr s SER 2 Ca 0.00 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2dkr s SER 2 Cb 0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 2dkr s SER 2 CO 0.00 -1.09 -0.10 -0.44 0.98 0.00 0.00 173.24 172.58 2dkr s SER 3 N -3.28 4.36 -0.03 7.02 0.01 -1.26 -4.88 113.70 115.64 2dkr s SER 3 Ca 0.19 -0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.32 2dkr s SER 3 Cb -0.03 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2dkr s SER 3 CO 0.06 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.66 2dkr n GLY 4 N 2.11 -2.83 3.81 3.44 0.00 -1.26 -5.08 105.19 105.38 2dkr n GLY 4 Ca -0.17 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2dkr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 5 N -0.23 5.46 -0.02 1.61 1.04 -1.26 -5.05 113.70 115.26 2dkr s SER 5 Ca 0.00 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 55.94 2dkr s SER 5 Cb -0.00 -1.38 -0.20 0.00 0.10 0.00 0.00 66.02 64.54 2dkr s SER 5 CO 0.08 -0.01 1.21 0.28 0.98 0.00 0.00 173.24 175.78 2dkr h SER 6 N 1.76 0.11 0.00 7.02 0.02 -1.98 -3.48 113.55 117.00 2dkr h SER 6 Ca -0.48 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 59.90 2dkr h SER 6 Cb 1.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2dkr h SER 6 CO 0.61 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 2dkr n GLY 7 N 0.44 1.41 3.40 -3.77 0.00 -1.26 -4.51 105.19 100.90 2dkr n GLY 7 Ca -0.08 0.45 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.43 -0.45 1.61 0.11 -1.26 -1.05 120.40 122.78 2dkr s VAL 8 Ca 0.00 -0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 58.42 2dkr s VAL 8 Cb 0.00 -2.50 0.09 0.00 -1.53 0.00 0.00 36.38 32.44 2dkr s VAL 8 CO 0.00 0.48 0.34 -0.69 -3.33 0.00 0.00 175.10 171.90 2dkr s VAL 9 N 0.67 4.64 -0.40 2.04 1.01 0.19 -4.91 120.40 123.64 2dkr s VAL 9 Ca -0.04 -1.35 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 2dkr s VAL 9 Cb -0.15 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2dkr s VAL 9 CO 0.02 -0.60 0.79 -0.70 0.00 0.00 0.00 175.10 174.62 2dkr s GLU 10 N 1.50 3.63 0.16 2.72 2.12 -1.26 -1.74 118.70 125.83 2dkr s GLU 10 Ca 0.04 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.62 2dkr s GLU 10 Cb -0.24 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 2dkr s GLU 10 CO 0.03 -0.95 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.20 2dkr s LEU 11 N 3.20 3.03 -0.00 2.70 1.43 -0.94 -4.96 118.68 123.13 2dkr s LEU 11 Ca 0.31 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2dkr s LEU 11 Cb -0.13 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 2dkr s LEU 11 CO 0.19 0.12 1.46 -2.16 0.23 0.00 0.00 176.35 176.19 2dkr s PRO 12 N -2.70 4.26 -0.47 1.29 0.04 -1.26 -2.08 135.00 134.08 2dkr s PRO 12 Ca 0.24 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 2dkr s PRO 12 Cb -0.09 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.85 2dkr s PRO 12 CO 0.15 -0.63 0.74 0.21 0.04 0.00 0.00 177.00 177.51 2dkr s LYS 13 N 2.66 3.31 0.20 4.56 2.47 -0.52 -4.82 119.74 127.61 2dkr s LYS 13 Ca 0.66 -0.33 -0.23 0.00 -1.56 0.00 0.00 55.97 54.51 2dkr s LYS 13 Cb -0.32 -3.98 0.06 0.00 -1.46 0.00 0.00 37.83 32.13 2dkr s LYS 13 CO 0.27 -1.16 0.95 -0.08 0.16 0.00 0.00 175.35 175.49 2dkr s THR 14 N 3.15 0.00 0.40 3.43 -1.32 -1.26 -4.01 115.64 116.03 2dkr s THR 14 Ca 0.25 -0.71 0.10 0.00 -1.21 0.00 0.00 61.69 60.13 2dkr s THR 14 Cb -0.14 -2.38 0.31 0.00 -1.51 0.00 0.00 72.50 68.77 2dkr s THR 14 CO 0.19 0.00 1.98 -0.78 -2.21 0.00 0.00 174.62 173.80 2dkr h ASP 15 N 2.00 0.49 -1.45 8.08 3.58 -2.03 -1.78 116.42 125.31 2dkr h ASP 15 Ca -0.26 0.00 0.44 0.00 0.42 0.00 0.00 57.03 57.64 2dkr h ASP 15 Cb 1.23 -0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.09 2dkr h ASP 15 CO 0.30 0.31 1.00 -0.33 -2.88 0.00 0.00 179.24 177.64 2dkr h GLU 16 N 0.55 0.07 0.00 0.28 5.08 -1.95 -3.46 114.58 115.15 2dkr h GLU 16 Ca 0.27 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2dkr h GLU 16 Cb 0.37 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2dkr h GLU 16 CO -0.08 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 2dkr n GLY 17 N -1.68 -0.19 0.09 -3.84 0.00 -0.67 -4.91 105.19 93.99 2dkr n GLY 17 Ca 0.36 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.84 1.92 0.00 0.99 7.99 -1.26 -4.61 117.00 121.18 2dkr n LEU 18 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2dkr n LEU 18 Cb 0.00 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 2dkr n LEU 18 CO 0.00 -0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.30 2dkr n GLY 19 N 1.46 0.90 3.14 -0.72 0.00 -1.26 -0.12 105.19 108.59 2dkr n GLY 19 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.47 0.12 0.10 1.61 -0.71 -1.26 -1.58 117.98 114.79 2dkr s PHE 20 Ca 0.00 -0.35 0.09 0.00 -1.04 0.00 0.00 56.93 55.63 2dkr s PHE 20 Cb 0.00 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2dkr s PHE 20 CO 0.00 -0.38 -0.24 1.21 -1.34 0.00 0.00 175.22 174.47 2dkr s ASN 21 N -2.01 2.93 -0.02 1.98 3.84 0.22 -4.96 114.94 116.92 2dkr s ASN 21 Ca -0.06 -0.69 0.01 0.00 0.21 0.00 0.00 52.86 52.32 2dkr s ASN 21 Cb -0.02 -0.19 0.01 0.00 -0.55 0.00 0.00 41.25 40.50 2dkr s ASN 21 CO -0.03 0.14 -0.02 0.27 -2.79 0.00 0.00 177.10 174.67 2dkr s ILE 22 N -1.05 0.26 0.39 -5.21 -4.36 -1.26 -0.26 121.20 109.71 2dkr s ILE 22 Ca 0.10 -0.03 0.03 0.00 -0.26 0.00 0.00 60.65 60.50 2dkr s ILE 22 Cb -0.10 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 2dkr s ILE 22 CO 0.05 0.13 0.09 0.00 0.24 0.00 0.00 174.94 175.44 2dkr s MET 23 N 0.57 1.87 0.60 0.37 0.23 -1.21 -4.84 119.30 116.89 2dkr s MET 23 Ca -0.06 -2.12 0.00 0.00 -1.03 0.00 0.00 55.69 52.48 2dkr s MET 23 Cb -0.09 -0.83 0.00 0.00 -1.53 0.00 0.00 34.83 32.38 2dkr s MET 23 CO -0.01 -0.36 0.00 0.41 -2.03 0.00 0.00 175.02 173.03 2dkr n GLY 24 N -0.88 -3.73 0.00 3.16 0.00 -1.26 -4.01 105.19 98.47 2dkr n GLY 24 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.45 -1.57 0.32 -0.02 0.00 -0.98 -4.51 105.19 94.98 2dkr n GLY 25 Ca -0.05 -1.05 0.29 0.00 0.00 0.00 0.00 46.02 45.20 2dkr n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dkr h LYS 26 N 0.00 0.05 -0.26 1.61 1.79 -1.81 0.16 116.57 118.10 2dkr h LYS 26 Ca 0.00 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2dkr h LYS 26 Cb 0.00 -0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.56 2dkr h LYS 26 CO 0.00 0.03 -0.49 1.49 -1.08 0.00 0.00 179.45 179.40 2dkr h GLU 27 N 0.05 -0.44 -0.71 3.15 4.57 -1.94 0.17 114.58 119.43 2dkr h GLU 27 Ca 0.80 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 59.01 2dkr h GLU 27 Cb 2.04 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.73 2dkr h GLU 27 CO -0.76 -0.30 0.00 0.94 -1.18 0.00 0.00 179.01 177.71 2dkr n GLN 28 N -5.42 2.52 -3.80 1.92 0.00 0.43 -4.88 117.38 108.15 2dkr n GLN 28 Ca -0.04 -1.35 -0.27 0.00 -0.00 0.00 0.00 57.00 55.34 2dkr n GLN 28 Cb 0.36 -1.71 0.04 0.00 0.00 0.00 0.00 30.24 28.94 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dkr n ASN 29 N 0.32 -4.86 -4.16 1.69 4.13 0.59 -4.86 115.26 108.11 2dkr n ASN 29 Ca 0.12 -0.71 -0.16 0.00 1.68 0.00 0.00 54.58 55.51 2dkr n ASN 29 Cb 0.58 -4.25 -0.11 0.00 -1.54 0.00 0.00 39.78 34.46 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dkr s SER 30 N -3.43 1.46 0.81 6.41 1.04 -0.43 -4.95 113.70 114.61 2dkr s SER 30 Ca 0.57 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 2dkr s SER 30 Cb -0.28 -0.01 0.08 0.00 0.10 0.00 0.00 66.02 65.91 2dkr s SER 30 CO 0.80 -0.17 1.09 -2.16 0.98 0.00 0.00 173.24 173.78 2dkr s PRO 31 N -2.15 1.97 -0.18 4.02 0.04 -1.26 -2.31 135.00 135.13 2dkr s PRO 31 Ca -0.00 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 2dkr s PRO 31 Cb -0.07 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2dkr s PRO 31 CO 0.01 -1.81 0.56 0.42 0.04 0.00 0.00 177.00 176.21 2dkr s ILE 32 N -2.91 5.09 0.25 0.56 1.01 -1.26 -4.16 121.20 119.77 2dkr s ILE 32 Ca 0.62 1.05 -0.03 0.00 0.00 0.00 0.00 60.65 62.28 2dkr s ILE 32 Cb -0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2dkr s ILE 32 CO 0.56 0.18 0.30 -0.72 0.00 0.00 0.00 174.94 175.26 2dkr s TYR 33 N 1.57 1.01 -0.35 3.97 1.13 -1.26 -0.82 117.35 122.61 2dkr s TYR 33 Ca 0.26 -1.23 -0.29 0.00 -1.41 0.00 0.00 57.07 54.41 2dkr s TYR 33 Cb -0.16 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2dkr s TYR 33 CO 0.10 -0.85 1.18 0.42 -2.51 0.00 0.00 175.55 173.89 2dkr s ILE 34 N -3.83 4.30 -0.13 -3.49 -1.09 -0.76 -3.30 121.20 112.89 2dkr s ILE 34 Ca 0.33 1.45 -0.27 0.00 -2.23 0.00 0.00 60.65 59.93 2dkr s ILE 34 Cb 0.03 -4.36 -0.26 0.00 -1.58 0.00 0.00 42.46 36.29 2dkr s ILE 34 CO 0.15 -0.60 0.72 0.77 -1.23 0.00 0.00 174.94 174.75 2dkr h SER 35 N 8.84 0.07 -4.38 3.58 4.64 -0.95 -2.48 113.55 122.87 2dkr h SER 35 Ca -0.23 -0.94 -0.18 0.00 -0.47 0.00 0.00 61.79 59.97 2dkr h SER 35 Cb 1.07 -0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 62.90 2dkr h SER 35 CO 1.05 1.11 -0.59 -0.60 -0.87 0.00 0.00 176.83 176.94 2dkr s ARG 36 N -2.27 0.26 -0.13 4.77 3.52 -1.20 -4.89 118.95 119.02 2dkr s ARG 36 Ca -0.19 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 2dkr s ARG 36 Cb -0.01 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.48 2dkr s ARG 36 CO 0.70 -0.05 -0.20 0.08 -0.81 0.00 0.00 175.30 175.02 2dkr s VAL 37 N -0.69 2.35 -0.01 7.11 1.01 -1.26 0.70 120.40 129.60 2dkr s VAL 37 Ca -0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2dkr s VAL 37 Cb -0.05 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 2dkr s VAL 37 CO 0.00 0.54 1.72 -0.63 0.00 0.00 0.00 175.10 176.73 2dkr s ILE 38 N 0.57 3.35 -2.00 2.22 -1.09 -0.61 -4.85 121.20 118.78 2dkr s ILE 38 Ca -0.12 0.52 0.11 0.00 -2.23 0.00 0.00 60.65 58.93 2dkr s ILE 38 Cb -0.16 -3.34 0.30 0.00 -1.58 0.00 0.00 42.46 37.68 2dkr s ILE 38 CO 0.04 -0.04 1.07 -0.81 -1.23 0.00 0.00 174.94 173.97 2dkr n PRO 39 N 6.85 0.49 -2.70 2.79 -0.04 -1.26 -3.18 135.00 137.94 2dkr n PRO 39 Ca 0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2dkr n PRO 39 Cb 0.42 -1.34 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.66 3.39 0.55 0.00 -1.26 -5.00 105.19 104.50 2dkr n GLY 40 Ca 0.08 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.81 3.51 0.16 -0.02 0.00 -1.19 -5.05 105.19 101.79 2dkr n GLY 41 Ca -0.04 -2.30 -0.09 0.00 0.00 0.00 0.00 46.02 43.59 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 1.35 1.15 0.30 1.61 2.07 -0.86 -2.93 116.25 118.95 2dkr h VAL 42 Ca -0.38 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2dkr h VAL 42 Cb 1.20 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2dkr h VAL 42 CO 0.62 0.16 -0.39 0.00 0.02 0.00 0.00 177.57 177.98 2dkr h ALA 43 N 1.02 -1.01 -0.70 1.67 0.00 -0.77 -2.62 119.26 116.85 2dkr h ALA 43 Ca 0.11 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2dkr h ALA 43 Cb 0.10 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 2dkr h ALA 43 CO -0.02 -1.06 -0.45 0.22 0.00 0.00 0.00 179.25 177.94 2dkr h ASP 44 N -0.71 -1.64 -0.97 0.00 1.82 -1.74 0.21 116.42 113.39 2dkr h ASP 44 Ca -0.04 0.24 0.20 0.00 -0.39 0.00 0.00 57.03 57.05 2dkr h ASP 44 Cb 0.64 0.72 -0.18 0.00 0.68 0.00 0.00 39.33 41.19 2dkr h ASP 44 CO -0.09 -0.20 -0.22 0.03 -1.61 0.00 0.00 179.24 177.15 2dkr h ARG 45 N -0.05 0.00 -0.62 0.28 3.08 -1.40 0.65 114.38 116.32 2dkr h ARG 45 Ca 0.11 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2dkr h ARG 45 Cb 0.34 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2dkr h ARG 45 CO -0.68 0.00 0.35 1.25 -1.07 0.00 0.00 179.97 179.81 2dkr h HIS 46 N 0.00 0.84 0.00 3.04 2.76 -0.29 -3.46 115.15 118.05 2dkr h HIS 46 Ca 0.47 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.63 2dkr h HIS 46 Cb 0.75 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2dkr h HIS 46 CO -0.72 0.60 0.00 0.41 -1.30 0.00 0.00 177.93 176.91 2dkr n GLY 47 N -1.07 1.88 0.33 5.26 0.00 0.23 -4.80 105.19 107.01 2dkr n GLY 47 Ca 0.04 -0.30 0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.60 3.76 -0.02 0.00 -1.26 -3.97 105.19 103.09 2dkr n GLY 48 Ca 0.00 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -8.38 4.24 0.08 0.99 1.43 -1.26 -4.97 118.68 110.80 2dkr s LEU 49 Ca -0.05 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2dkr s LEU 49 Cb 0.23 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2dkr s LEU 49 CO 0.59 0.22 0.12 -0.54 0.23 0.00 0.00 176.35 176.98 2dkr s LYS 50 N 0.09 0.77 0.11 1.70 1.02 -1.25 -4.69 119.74 117.48 2dkr s LYS 50 Ca 0.09 -1.03 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 2dkr s LYS 50 Cb -0.11 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.39 2dkr s LYS 50 CO -0.01 -0.22 1.87 -2.13 -0.92 0.00 0.00 175.35 173.94 2dkr n ARG 51 N 0.02 2.83 0.00 1.68 0.63 -1.26 -2.13 116.66 118.43 2dkr n ARG 51 Ca -0.15 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 2dkr n ARG 51 Cb 0.62 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.59 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 4.31 1.50 3.68 5.14 0.00 -0.94 -4.98 105.19 113.90 2dkr n GLY 52 Ca 0.18 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 0.05 3.69 -4.66 1.61 9.92 -0.91 -4.54 116.55 121.71 2dkr n ASP 53 Ca 0.00 0.97 -0.41 0.00 -0.53 0.00 0.00 54.79 54.82 2dkr n ASP 53 Cb 0.00 -1.44 -0.05 0.00 -0.64 0.00 0.00 41.12 38.99 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 3.72 4.24 -0.14 -1.24 0.74 -1.26 -1.84 119.66 123.89 2dkr s GLN 54 Ca 0.89 0.86 -0.29 0.00 0.05 0.00 0.00 55.36 56.87 2dkr s GLN 54 Cb -0.59 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 29.87 2dkr s GLN 54 CO 0.46 -0.34 1.86 -1.17 -0.55 0.00 0.00 175.29 175.56 2dkr s LEU 55 N 2.20 3.97 -0.15 3.68 2.96 -0.00 -3.83 118.68 127.51 2dkr s LEU 55 Ca 0.34 2.03 -0.15 0.00 -0.22 0.00 0.00 54.13 56.12 2dkr s LEU 55 Cb -0.16 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 2dkr s LEU 55 CO 0.11 -1.35 0.36 -0.07 -1.32 0.00 0.00 176.35 174.07 2dkr h LEU 56 N 12.12 0.23 -7.06 -0.68 3.38 -1.61 -3.40 115.31 118.30 2dkr h LEU 56 Ca -0.40 -0.75 -0.05 0.00 0.09 0.00 0.00 57.88 56.77 2dkr h LEU 56 Cb 1.20 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.71 2dkr h LEU 56 CO 0.97 1.64 0.15 -0.94 0.09 0.00 0.00 178.44 180.34 2dkr s SER 57 N -6.95 -0.57 -0.03 -0.43 1.04 -1.23 -2.66 113.70 102.87 2dkr s SER 57 Ca -0.24 0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.63 2dkr s SER 57 Cb 0.06 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 2dkr s SER 57 CO 0.69 -0.72 -0.15 -0.69 0.98 0.00 0.00 173.24 173.35 2dkr s VAL 58 N -2.10 1.26 -1.18 5.02 1.01 -0.11 -0.37 120.40 123.93 2dkr s VAL 58 Ca -0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2dkr s VAL 58 Cb -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2dkr s VAL 58 CO 0.02 0.36 0.19 0.59 0.00 0.00 0.00 175.10 176.26 2dkr n ASN 59 N 2.99 -4.10 -0.61 3.32 3.02 0.17 0.10 115.26 120.15 2dkr n ASN 59 Ca -0.17 -0.02 -0.06 0.00 -0.03 0.00 0.00 54.58 54.31 2dkr n ASN 59 Cb 0.54 -3.43 -0.01 0.00 -0.61 0.00 0.00 39.78 36.26 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 0.37 2.97 7.41 0.00 -1.25 -4.91 105.19 108.80 2dkr n GLY 60 Ca -0.11 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.28 1.22 -0.15 1.61 1.01 0.12 -5.09 120.40 116.84 2dkr s VAL 61 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2dkr s VAL 61 Cb 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 2dkr s VAL 61 CO 0.00 0.39 2.08 -1.20 0.00 0.00 0.00 175.10 176.37 2dkr n SER 62 N 4.59 3.33 -0.01 3.32 7.64 -1.26 -0.94 113.62 130.30 2dkr n SER 62 Ca -0.16 0.58 0.09 0.00 1.01 0.00 0.00 58.87 60.39 2dkr n SER 62 Cb 0.50 -1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.11 2dkr n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2dkr n VAL 63 N 6.54 0.00 -0.15 0.44 0.24 -1.09 -4.41 118.33 119.91 2dkr n VAL 63 Ca 0.28 -0.37 0.14 0.00 -2.04 0.00 0.00 64.34 62.35 2dkr n VAL 63 Cb 0.37 0.20 0.50 0.00 -1.47 0.00 0.00 33.84 33.44 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 0.41 -1.22 7.34 4.39 -1.73 -1.43 114.58 122.34 2dkr h GLU 64 Ca 0.00 -0.02 -0.67 0.00 0.34 0.00 0.00 59.36 59.01 2dkr h GLU 64 Cb 0.77 -0.09 -0.32 0.00 -0.10 0.00 0.00 28.75 29.00 2dkr h GLU 64 CO 0.00 0.27 0.50 0.41 -1.16 0.00 0.00 179.01 179.03 2dkr n GLY 65 N -1.52 5.90 3.40 -3.84 0.00 -1.26 -4.97 105.19 102.90 2dkr n GLY 65 Ca 0.13 -2.45 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 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 1.30 0.62 1.61 0.41 -0.54 -5.13 118.70 113.15 2dkr s GLU 66 Ca 0.58 -1.29 -0.16 0.00 -0.41 0.00 0.00 54.97 53.70 2dkr s GLU 66 Cb 0.47 0.39 -0.02 0.00 -1.78 0.00 0.00 34.13 33.19 2dkr s GLU 66 CO -0.11 -0.49 1.09 -1.14 -0.49 0.00 0.00 175.26 174.11 2dkr s GLN 67 N -4.02 3.08 0.12 1.61 0.74 -1.26 -4.69 119.66 115.23 2dkr s GLN 67 Ca 0.23 1.31 -0.21 0.00 0.05 0.00 0.00 55.36 56.74 2dkr s GLN 67 Cb 0.03 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 2dkr s GLN 67 CO 0.05 -1.02 1.69 1.25 -0.55 0.00 0.00 175.29 176.71 2dkr h HIS 68 N 0.28 -0.23 -0.79 1.67 -0.00 -1.92 -2.80 115.15 111.36 2dkr h HIS 68 Ca -0.47 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.02 2dkr h HIS 68 Cb 1.23 0.12 -0.12 0.00 -0.00 0.00 0.00 27.41 28.64 2dkr h HIS 68 CO 0.56 -0.15 -0.46 0.93 -0.00 0.00 0.00 177.93 178.82 2dkr h GLU 69 N -0.10 -0.11 -0.94 5.26 5.08 -1.99 -0.81 114.58 120.96 2dkr h GLU 69 Ca 0.08 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2dkr h GLU 69 Cb 0.22 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 2dkr h GLU 69 CO -0.19 -0.07 -0.56 -0.22 -1.00 0.00 0.00 179.01 176.97 2dkr h LYS 70 N -0.12 -0.04 -0.92 2.33 3.64 -1.88 -0.04 116.57 119.55 2dkr h LYS 70 Ca 0.22 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 2dkr h LYS 70 Cb 0.54 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.24 2dkr h LYS 70 CO -0.83 -0.03 -0.55 0.00 -2.27 0.00 0.00 179.45 175.78 2dkr h ALA 71 N 0.58 -0.46 -0.80 5.00 0.00 -1.16 0.43 119.26 122.85 2dkr h ALA 71 Ca 0.18 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2dkr h ALA 71 Cb 0.46 1.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2dkr h ALA 71 CO -0.91 -0.92 0.42 0.28 0.00 0.00 0.00 179.25 178.12 2dkr h VAL 72 N -0.05 0.83 0.58 0.00 2.07 -0.93 -2.52 116.25 116.23 2dkr h VAL 72 Ca 0.18 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2dkr h VAL 72 Cb 0.46 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2dkr h VAL 72 CO -0.90 0.12 -0.30 -0.33 0.02 0.00 0.00 177.57 176.18 2dkr h GLU 73 N 0.67 -0.78 -0.93 1.57 5.08 0.10 -2.96 114.58 117.34 2dkr h GLU 73 Ca 0.40 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.95 2dkr h GLU 73 Cb 0.46 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 29.74 2dkr h GLU 73 CO -0.29 -0.52 -0.43 -0.07 -1.00 0.00 0.00 179.01 176.70 2dkr h LEU 74 N -0.81 -1.56 -0.27 1.33 3.38 -0.30 0.27 115.31 117.34 2dkr h LEU 74 Ca -0.08 0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.24 2dkr h LEU 74 Cb 0.63 0.78 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 2dkr h LEU 74 CO 0.11 -0.28 -0.50 -0.07 0.09 0.00 0.00 178.44 177.79 2dkr h LEU 75 N -0.03 -1.62 -1.29 1.67 3.38 -1.40 0.45 115.31 116.46 2dkr h LEU 75 Ca 0.29 0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.55 2dkr h LEU 75 Cb 0.56 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2dkr h LEU 75 CO -0.93 -0.43 0.53 0.11 0.09 0.00 0.00 178.44 177.81 2dkr h LYS 76 N -0.46 0.79 -0.51 1.13 1.57 -0.86 -1.41 116.57 116.82 2dkr h LYS 76 Ca 0.08 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2dkr h LYS 76 Cb 0.63 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2dkr h LYS 76 CO -0.51 0.53 -0.09 0.00 -0.57 0.00 0.00 179.45 178.81 2dkr h ALA 77 N 1.58 0.87 -2.06 3.86 0.00 0.16 -3.44 119.26 120.23 2dkr h ALA 77 Ca 0.36 -0.33 -0.45 0.00 0.00 0.00 0.00 54.91 54.50 2dkr h ALA 77 Cb 0.34 -0.19 0.22 0.00 0.00 0.00 0.00 17.79 18.16 2dkr h ALA 77 CO -0.14 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.57 2dkr n ALA 78 N -2.49 -3.07 -3.32 0.00 0.00 0.14 -5.06 120.51 106.71 2dkr n ALA 78 Ca 0.02 -1.18 -0.13 0.00 0.00 0.00 0.00 53.44 52.15 2dkr n ALA 78 Cb 0.38 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 2dkr n ALA 78 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dkr s GLN 79 N -4.23 0.48 0.00 0.00 -2.07 -1.26 -4.97 119.66 107.61 2dkr s GLN 79 Ca 0.66 0.58 0.00 0.00 -1.82 0.00 0.00 55.36 54.79 2dkr s GLN 79 Cb -0.23 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 31.92 2dkr s GLN 79 CO 0.65 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.97 2dkr n GLY 80 N 2.88 1.98 3.32 2.60 0.00 -1.26 -4.82 105.19 109.90 2dkr n GLY 80 Ca -0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 2dkr n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 81 N 0.00 -0.32 -0.06 1.61 1.04 -1.26 -1.44 113.70 113.27 2dkr s SER 81 Ca 0.00 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.69 2dkr s SER 81 Cb 0.00 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.51 2dkr s SER 81 CO 0.00 -0.52 -0.16 0.68 0.98 0.00 0.00 173.24 174.23 2dkr s VAL 82 N -1.45 1.37 -0.46 5.02 -7.23 -0.88 -4.85 120.40 111.92 2dkr s VAL 82 Ca -0.12 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 2dkr s VAL 82 Cb -0.03 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.74 2dkr s VAL 82 CO 0.05 0.40 0.51 -0.54 -0.31 0.00 0.00 175.10 175.22 2dkr s LYS 83 N 0.38 3.10 -0.41 4.82 1.02 -1.26 -2.22 119.74 125.17 2dkr s LYS 83 Ca -0.11 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 2dkr s LYS 83 Cb -0.14 -4.03 0.05 0.00 -0.52 0.00 0.00 37.83 33.18 2dkr s LYS 83 CO 0.04 -1.02 0.28 -0.51 -0.92 0.00 0.00 175.35 173.22 2dkr s LEU 84 N 2.30 5.09 0.12 3.17 1.43 -0.71 0.41 118.68 130.48 2dkr s LEU 84 Ca 0.13 -1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 51.79 2dkr s LEU 84 Cb -0.18 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2dkr s LEU 84 CO 0.13 -0.49 0.94 -0.69 0.23 0.00 0.00 176.35 176.47 2dkr s VAL 85 N 1.58 4.48 0.32 -1.59 1.01 0.50 -0.64 120.40 126.06 2dkr s VAL 85 Ca 0.03 2.03 0.03 0.00 0.00 0.00 0.00 61.98 64.07 2dkr s VAL 85 Cb -0.21 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2dkr s VAL 85 CO 0.07 0.34 0.15 0.68 0.00 0.00 0.00 175.10 176.34 2dkr s VAL 86 N -0.15 0.43 -0.27 2.92 -7.23 -0.22 -1.57 120.40 114.31 2dkr s VAL 86 Ca 0.45 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 2dkr s VAL 86 Cb -0.23 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2dkr s VAL 86 CO 0.29 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 175.07 2dkr s ARG 87 N -3.80 3.66 -0.02 4.82 0.52 -1.25 -4.03 118.95 118.86 2dkr s ARG 87 Ca 0.34 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 55.11 2dkr s ARG 87 Cb 0.05 -3.45 0.16 0.00 0.52 0.00 0.00 34.95 32.23 2dkr s ARG 87 CO 0.17 -0.23 1.01 -1.13 0.02 0.00 0.00 175.30 175.14 2dkr n SER 88 N 4.97 1.30 0.00 0.23 3.41 -1.26 -4.76 113.62 117.51 2dkr n SER 88 Ca -0.15 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 2dkr n SER 88 Cb 0.51 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2dkr n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkr n GLY 89 N 0.55 3.69 0.16 5.00 0.00 -1.26 -4.96 105.19 108.38 2dkr n GLY 89 Ca 0.06 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.37 2dkr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr h PRO 90 N 0.00 0.00 -6.40 1.61 0.13 -2.03 -3.43 132.00 121.87 2dkr h PRO 90 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2dkr h PRO 90 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dkr h PRO 90 CO 0.00 0.00 0.33 0.45 -0.23 0.00 0.00 178.00 178.55 2dkr s SER 91 N -4.55 7.35 0.07 1.44 0.15 -1.26 -4.96 113.70 111.95 2dkr s SER 91 Ca 0.03 1.63 -0.18 0.00 0.70 0.00 0.00 55.95 58.14 2dkr s SER 91 Cb 0.09 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2dkr s SER 91 CO 0.42 -0.18 1.42 -1.28 1.20 0.00 0.00 173.24 174.82 2dkr h SER 92 N 6.42 0.52 0.00 5.45 0.87 -2.02 -3.52 113.55 121.28 2dkr h SER 92 Ca -0.42 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2dkr h SER 92 Cb 1.21 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2dkr h SER 92 CO 0.74 0.83 0.00 0.61 -0.53 0.00 0.00 176.83 178.48