#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 -4.73 -4.45 1.61 7.64 -1.26 -5.01 113.62 107.42 2dkr n SER 2 Ca 0.00 -0.55 -0.26 0.00 1.01 0.00 0.00 58.87 59.07 2dkr n SER 2 Cb 0.00 -4.91 -0.11 0.00 -1.01 0.00 0.00 64.21 58.18 2dkr n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkr s SER 3 N -3.67 3.58 -0.39 6.43 0.01 -1.26 -5.09 113.70 113.30 2dkr s SER 3 Ca 0.36 -0.86 0.08 0.00 1.31 0.00 0.00 55.95 56.84 2dkr s SER 3 Cb -0.16 -0.33 0.26 0.00 0.21 0.00 0.00 66.02 66.00 2dkr s SER 3 CO 0.70 0.10 0.55 0.61 0.41 0.00 0.00 173.24 175.61 2dkr n GLY 4 N 0.04 2.99 3.21 3.44 0.00 -1.26 -4.96 105.19 108.65 2dkr n GLY 4 Ca -0.11 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 5 N -1.35 1.84 -1.45 1.61 0.01 -1.26 -4.78 113.70 108.33 2dkr s SER 5 Ca 0.36 -0.73 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 2dkr s SER 5 Cb 0.19 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.42 2dkr s SER 5 CO -0.10 -0.12 0.74 -0.24 0.41 0.00 0.00 173.24 173.93 2dkr n SER 6 N 0.84 -4.92 -3.60 2.44 2.88 -1.26 -2.95 113.62 107.05 2dkr n SER 6 Ca -0.18 -0.51 -0.23 0.00 -1.33 0.00 0.00 58.87 56.62 2dkr n SER 6 Cb 0.56 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 60.05 2dkr n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkr n GLY 7 N -1.50 -0.81 3.57 0.46 0.00 -0.72 -2.93 105.19 103.26 2dkr n GLY 7 Ca -0.02 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2dkr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 8 N -3.10 4.85 -0.31 1.61 1.01 -1.15 0.58 120.40 123.89 2dkr s VAL 8 Ca 0.11 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.78 2dkr s VAL 8 Cb -0.06 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.30 2dkr s VAL 8 CO 0.65 -0.34 -0.01 -0.69 0.00 0.00 0.00 175.10 174.71 2dkr s VAL 9 N 2.80 2.23 -0.28 2.92 1.01 -0.02 -4.96 120.40 124.10 2dkr s VAL 9 Ca 0.26 -2.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.00 2dkr s VAL 9 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2dkr s VAL 9 CO 0.15 -0.39 0.38 -0.70 0.00 0.00 0.00 175.10 174.54 2dkr s GLU 10 N 0.98 3.96 0.01 2.72 -6.30 -1.26 -1.23 118.70 117.57 2dkr s GLU 10 Ca 0.04 -0.01 0.04 0.00 -2.50 0.00 0.00 54.97 52.55 2dkr s GLU 10 Cb -0.19 -3.68 -0.03 0.00 0.00 0.00 0.00 34.13 30.23 2dkr s GLU 10 CO -0.07 -0.32 -0.11 -0.51 0.02 0.00 0.00 175.26 174.27 2dkr s LEU 11 N 2.08 2.94 -0.20 2.70 1.43 -0.88 -4.98 118.68 121.77 2dkr s LEU 11 Ca 0.15 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2dkr s LEU 11 Cb -0.16 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2dkr s LEU 11 CO 0.10 0.28 1.60 -2.16 0.23 0.00 0.00 176.35 176.40 2dkr s PRO 12 N -1.32 3.85 -0.44 1.29 0.04 -1.26 -2.43 135.00 134.74 2dkr s PRO 12 Ca 0.15 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2dkr s PRO 12 Cb -0.11 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 2dkr s PRO 12 CO 0.06 -1.22 2.23 0.21 0.04 0.00 0.00 177.00 178.32 2dkr s LYS 13 N 4.55 2.50 -0.01 4.56 2.47 -0.80 -4.93 119.74 128.08 2dkr s LYS 13 Ca 0.71 1.42 0.01 0.00 -1.56 0.00 0.00 55.97 56.54 2dkr s LYS 13 Cb -0.25 -4.48 0.01 0.00 -1.46 0.00 0.00 37.83 31.65 2dkr s LYS 13 CO 0.28 -2.83 -0.01 0.95 0.16 0.00 0.00 175.35 173.90 2dkr s THR 14 N 10.47 0.19 0.37 3.43 -4.23 -1.26 -4.87 115.64 119.73 2dkr s THR 14 Ca 0.92 -0.02 0.20 0.00 -1.18 0.00 0.00 61.69 61.61 2dkr s THR 14 Cb -0.20 -0.22 0.36 0.00 1.34 0.00 0.00 72.50 73.78 2dkr s THR 14 CO 0.28 0.10 1.63 0.44 -0.54 0.00 0.00 174.62 176.52 2dkr h ASP 15 N 6.62 0.40 -1.05 3.99 5.19 -2.01 0.28 116.42 129.85 2dkr h ASP 15 Ca -0.34 0.20 0.42 0.00 -0.62 0.00 0.00 57.03 56.70 2dkr h ASP 15 Cb 1.17 0.18 -0.17 0.00 0.18 0.00 0.00 39.33 40.69 2dkr h ASP 15 CO 0.49 -0.24 0.59 -0.62 -3.12 0.00 0.00 179.24 176.34 2dkr n GLU 16 N -5.05 -0.06 0.00 3.56 -0.58 -1.26 -4.88 120.64 112.37 2dkr n GLU 16 Ca 0.35 1.34 0.00 0.00 -0.42 0.00 0.00 57.16 58.42 2dkr n GLU 16 Cb 1.17 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 17 N -1.30 2.17 0.12 0.62 0.00 0.98 -4.93 105.19 102.85 2dkr n GLY 17 Ca 0.38 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 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 2.13 -0.05 0.99 7.99 -1.26 -4.29 117.00 122.50 2dkr n LEU 18 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 2dkr n LEU 18 Cb 0.00 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.35 2dkr n LEU 18 CO 0.00 0.51 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 2dkr n GLY 19 N 1.57 0.96 3.15 -0.72 0.00 -1.26 0.06 105.19 108.95 2dkr n GLY 19 Ca -0.38 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.04 -0.13 0.06 1.61 -0.12 -1.26 -0.23 117.98 115.87 2dkr s PHE 20 Ca 0.00 0.25 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 2dkr s PHE 20 Cb 0.00 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 2dkr s PHE 20 CO 0.00 -0.26 -0.17 -0.80 -0.05 0.00 0.00 175.22 173.94 2dkr s ASN 21 N -0.85 2.05 0.14 1.98 0.01 0.65 -4.97 114.94 113.95 2dkr s ASN 21 Ca -0.09 -0.54 0.07 0.00 -0.71 0.00 0.00 52.86 51.58 2dkr s ASN 21 Cb -0.05 -0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 2dkr s ASN 21 CO 0.02 0.06 -0.15 0.27 -1.51 0.00 0.00 177.10 175.79 2dkr s ILE 22 N -0.95 1.46 0.00 0.60 -4.36 -1.26 -0.54 121.20 116.16 2dkr s ILE 22 Ca 0.04 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2dkr s ILE 22 Cb -0.09 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.96 2dkr s ILE 22 CO 0.02 -0.43 -0.01 0.00 0.24 0.00 0.00 174.94 174.77 2dkr s MET 23 N -2.84 0.05 0.00 0.37 0.23 -1.20 -4.77 119.30 111.14 2dkr s MET 23 Ca 0.12 -0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.68 2dkr s MET 23 Cb -0.04 0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.28 2dkr s MET 23 CO 0.04 -0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.43 2dkr n GLY 24 N 2.83 1.48 0.00 3.16 0.00 -1.26 -4.17 105.19 107.22 2dkr n GLY 24 Ca -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 1.39 1.09 0.18 -0.02 0.00 -1.26 -4.38 105.19 102.19 2dkr n GLY 25 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.03 -2.45 1.61 4.81 -1.09 -3.04 118.16 119.03 2dkr n LYS 26 Ca 0.00 -0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 56.99 2dkr n LYS 26 Cb 0.00 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 2dkr n LYS 26 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2dkr s GLU 27 N -1.68 3.23 -1.51 1.64 2.12 -1.26 -3.58 118.70 117.66 2dkr s GLU 27 Ca 0.01 0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.45 2dkr s GLU 27 Cb 0.00 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.25 2dkr s GLU 27 CO 0.00 -2.05 0.77 0.94 -0.54 0.00 0.00 175.26 174.38 2dkr n GLN 28 N 8.95 -5.78 -3.89 4.30 7.27 -1.26 -2.11 117.38 124.85 2dkr n GLN 28 Ca 0.09 0.90 -0.27 0.00 0.07 0.00 0.00 57.00 57.78 2dkr n GLN 28 Cb 0.49 -5.82 0.01 0.00 2.41 0.00 0.00 30.24 27.34 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2dkr n ASN 29 N -2.67 -2.77 -4.76 1.69 4.13 -1.23 -4.93 115.26 104.71 2dkr n ASN 29 Ca -0.08 -0.85 -0.39 0.00 1.68 0.00 0.00 54.58 54.93 2dkr n ASN 29 Cb 0.61 -3.68 -0.06 0.00 -1.54 0.00 0.00 39.78 35.11 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2dkr s SER 30 N -3.81 7.23 0.30 6.41 0.15 -0.90 -5.03 113.70 118.05 2dkr s SER 30 Ca 0.36 1.46 -0.29 0.00 0.70 0.00 0.00 55.95 58.18 2dkr s SER 30 Cb -0.18 -2.45 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 2dkr s SER 30 CO 0.84 0.12 1.23 -2.16 1.20 0.00 0.00 173.24 174.47 2dkr s PRO 31 N -0.55 4.46 -0.08 5.44 0.04 -1.26 -4.18 135.00 138.87 2dkr s PRO 31 Ca 0.36 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 63.21 2dkr s PRO 31 Cb -0.21 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2dkr s PRO 31 CO 0.23 -0.04 0.74 0.42 0.04 0.00 0.00 177.00 178.39 2dkr s ILE 32 N -1.07 5.00 0.27 0.56 1.01 -1.26 -4.77 121.20 120.95 2dkr s ILE 32 Ca 0.48 1.51 -0.01 0.00 0.00 0.00 0.00 60.65 62.63 2dkr s ILE 32 Cb -0.37 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2dkr s ILE 32 CO 0.48 0.20 0.29 -0.72 0.00 0.00 0.00 174.94 175.19 2dkr s TYR 33 N 1.09 1.19 -0.43 3.97 1.13 -1.26 0.35 117.35 123.39 2dkr s TYR 33 Ca 0.38 -1.35 -0.29 0.00 -1.41 0.00 0.00 57.07 54.41 2dkr s TYR 33 Cb -0.18 -0.40 0.03 0.00 -1.10 0.00 0.00 41.96 40.31 2dkr s TYR 33 CO 0.18 -0.86 1.10 0.42 -2.51 0.00 0.00 175.55 173.88 2dkr s ILE 34 N -3.72 4.31 -0.03 -3.49 -1.09 -0.40 -3.27 121.20 113.52 2dkr s ILE 34 Ca 0.35 1.33 -0.23 0.00 -2.23 0.00 0.00 60.65 59.87 2dkr s ILE 34 Cb 0.03 -4.54 -0.22 0.00 -1.58 0.00 0.00 42.46 36.15 2dkr s ILE 34 CO 0.18 -0.85 1.09 0.77 -1.23 0.00 0.00 174.94 174.89 2dkr h SER 35 N 8.90 0.30 -5.12 3.58 4.64 -1.12 -2.39 113.55 122.34 2dkr h SER 35 Ca -0.22 -0.73 -0.10 0.00 -0.47 0.00 0.00 61.79 60.27 2dkr h SER 35 Cb 1.06 -0.09 -0.16 0.00 -0.31 0.00 0.00 62.40 62.90 2dkr h SER 35 CO 1.09 0.99 -0.42 -0.60 -0.87 0.00 0.00 176.83 177.01 2dkr s ARG 36 N -3.32 0.73 -0.03 4.77 3.52 -1.06 -4.90 118.95 118.67 2dkr s ARG 36 Ca -0.15 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.64 2dkr s ARG 36 Cb 0.02 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2dkr s ARG 36 CO 0.76 -0.21 -0.09 0.08 -0.81 0.00 0.00 175.30 175.03 2dkr s VAL 37 N -3.22 0.78 -0.07 7.11 1.01 -1.26 -0.26 120.40 124.50 2dkr s VAL 37 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2dkr s VAL 37 Cb 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2dkr s VAL 37 CO -0.07 0.25 1.41 -0.63 0.00 0.00 0.00 175.10 176.05 2dkr s ILE 38 N 0.22 3.89 -2.00 2.22 -1.09 0.68 -4.88 121.20 120.24 2dkr s ILE 38 Ca -0.04 1.17 0.10 0.00 -2.23 0.00 0.00 60.65 59.66 2dkr s ILE 38 Cb -0.09 -3.75 0.30 0.00 -1.58 0.00 0.00 42.46 37.34 2dkr s ILE 38 CO 0.01 -0.06 1.06 -0.81 -1.23 0.00 0.00 174.94 173.91 2dkr n PRO 39 N 6.15 0.49 -2.73 2.79 -0.04 -1.26 -3.06 135.00 137.34 2dkr n PRO 39 Ca 0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2dkr n PRO 39 Cb 0.44 -1.34 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.79 0.85 0.55 0.00 -1.26 -5.01 105.19 102.09 2dkr n GLY 40 Ca 0.08 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.90 3.87 0.27 -0.02 0.00 -1.17 -5.04 105.19 102.20 2dkr n GLY 41 Ca -0.04 -2.24 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 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 0.97 1.27 0.85 1.61 2.07 -0.56 -3.01 116.25 119.45 2dkr h VAL 42 Ca -0.10 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 2dkr h VAL 42 Cb 0.30 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2dkr h VAL 42 CO 0.16 0.43 -0.41 0.00 0.02 0.00 0.00 177.57 177.77 2dkr h ALA 43 N 1.07 -1.29 -0.99 1.67 0.00 -0.69 0.19 119.26 119.23 2dkr h ALA 43 Ca 0.11 -0.25 0.30 0.00 0.00 0.00 0.00 54.91 55.07 2dkr h ALA 43 Cb 0.68 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 2dkr h ALA 43 CO 0.05 -1.21 0.53 0.22 0.00 0.00 0.00 179.25 178.84 2dkr h ASP 44 N -1.16 0.46 -0.05 0.00 3.58 -1.74 0.83 116.42 118.35 2dkr h ASP 44 Ca -0.12 0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2dkr h ASP 44 Cb 0.88 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2dkr h ASP 44 CO 0.19 -0.12 -0.10 0.03 -2.88 0.00 0.00 179.24 176.36 2dkr h ARG 45 N 0.33 0.16 -0.34 0.28 3.08 -1.36 -3.33 114.38 113.19 2dkr h ARG 45 Ca 0.70 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.68 2dkr h ARG 45 Cb 1.57 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 2dkr h ARG 45 CO -0.60 0.69 -0.20 1.58 -1.07 0.00 0.00 179.97 180.36 2dkr n HIS 46 N -4.67 -0.15 0.00 3.04 -0.00 0.65 -4.88 115.22 109.21 2dkr n HIS 46 Ca -0.08 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.53 2dkr n HIS 46 Cb 0.35 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.74 2dkr n HIS 46 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dkr n GLY 47 N -1.09 0.83 0.57 1.57 0.00 -1.13 -5.03 105.19 100.91 2dkr n GLY 47 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.38 2.88 -0.02 0.00 -1.26 -5.13 105.19 101.29 2dkr n GLY 48 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.00 -0.20 0.21 0.99 1.43 -1.26 -4.93 118.68 114.92 2dkr s LEU 49 Ca 0.00 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2dkr s LEU 49 Cb 0.00 0.51 -0.03 0.00 0.03 0.00 0.00 46.19 46.70 2dkr s LEU 49 CO -0.00 -0.27 0.26 -0.54 0.23 0.00 0.00 176.35 176.03 2dkr s LYS 50 N 2.36 1.32 -0.04 1.70 1.02 -1.26 -4.61 119.74 120.23 2dkr s LYS 50 Ca 0.04 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 2dkr s LYS 50 Cb -0.13 0.34 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 2dkr s LYS 50 CO -0.09 -0.48 1.66 0.50 -0.92 0.00 0.00 175.35 176.02 2dkr s ARG 51 N -4.10 4.18 0.00 1.68 3.52 -1.26 -3.16 118.95 119.81 2dkr s ARG 51 Ca 0.32 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 2dkr s ARG 51 Cb 0.04 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2dkr s ARG 51 CO 0.10 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.17 2dkr n GLY 52 N 4.13 4.07 3.64 8.12 0.00 -0.90 -4.96 105.19 119.29 2dkr n GLY 52 Ca 0.17 -0.90 -0.49 0.00 0.00 0.00 0.00 46.02 44.80 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 2.52 -4.54 1.61 8.00 -1.19 -4.50 116.55 118.45 2dkr n ASP 53 Ca 0.00 1.09 -0.43 0.00 0.71 0.00 0.00 54.79 56.16 2dkr n ASP 53 Cb 0.00 -1.32 -0.07 0.00 -0.02 0.00 0.00 41.12 39.72 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dkr s GLN 54 N 1.06 3.44 -0.35 -1.24 0.74 -1.26 -1.27 119.66 120.78 2dkr s GLN 54 Ca 0.83 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.74 2dkr s GLN 54 Cb -0.80 -3.90 -0.08 0.00 1.10 0.00 0.00 33.01 29.32 2dkr s GLN 54 CO 0.43 -0.92 2.27 -0.11 -0.55 0.00 0.00 175.29 176.41 2dkr n LEU 55 N 6.23 2.53 0.04 3.68 7.94 0.16 -3.60 117.00 133.98 2dkr n LEU 55 Ca -0.01 0.14 -0.20 0.00 -1.11 0.00 0.00 56.01 54.83 2dkr n LEU 55 Cb 0.48 -1.43 -0.14 0.00 0.53 0.00 0.00 43.42 42.86 2dkr n LEU 55 CO 0.52 -0.87 -0.02 -0.07 -1.11 0.00 0.00 177.39 175.84 2dkr h LEU 56 N 14.81 0.44 -7.00 -1.96 3.38 -0.66 -3.37 115.31 120.95 2dkr h LEU 56 Ca -0.31 -0.94 0.05 0.00 0.09 0.00 0.00 57.88 56.77 2dkr h LEU 56 Cb 1.28 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 2dkr h LEU 56 CO 1.04 1.42 0.40 -0.94 0.09 0.00 0.00 178.44 180.45 2dkr s SER 57 N -6.97 -0.46 -0.02 -0.43 1.04 -1.22 -2.96 113.70 102.69 2dkr s SER 57 Ca -0.15 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.55 2dkr s SER 57 Cb 0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dkr s SER 57 CO 0.82 -0.60 -0.08 -0.69 0.98 0.00 0.00 173.24 173.67 2dkr s VAL 58 N -2.30 0.66 -1.39 5.02 1.01 -0.44 -0.24 120.40 122.72 2dkr s VAL 58 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2dkr s VAL 58 Cb -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2dkr s VAL 58 CO -0.03 0.21 0.28 0.59 0.00 0.00 0.00 175.10 176.15 2dkr n ASN 59 N 3.24 -4.86 -1.27 3.32 3.02 -0.55 -0.89 115.26 117.27 2dkr n ASN 59 Ca -0.17 -0.11 -0.09 0.00 -0.03 0.00 0.00 54.58 54.17 2dkr n ASN 59 Cb 0.55 -4.02 0.01 0.00 -0.61 0.00 0.00 39.78 35.71 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 -1.13 0.09 3.03 7.41 0.00 -1.26 -4.96 105.19 108.36 2dkr n GLY 60 Ca -0.13 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.66 0.99 -0.32 1.61 1.01 -0.07 -5.10 120.40 115.87 2dkr s VAL 61 Ca 0.08 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2dkr s VAL 61 Cb -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2dkr s VAL 61 CO 0.09 0.31 1.72 -0.55 0.00 0.00 0.00 175.10 176.67 2dkr s SER 62 N 0.29 6.03 -0.17 3.32 0.15 -1.26 -1.33 113.70 120.73 2dkr s SER 62 Ca -0.06 1.31 0.12 0.00 0.70 0.00 0.00 55.95 58.02 2dkr s SER 62 Cb -0.11 -2.53 -0.23 0.00 -1.71 0.00 0.00 66.02 61.44 2dkr s SER 62 CO 0.01 -1.60 0.19 1.33 1.20 0.00 0.00 173.24 174.37 2dkr n VAL 63 N 7.22 1.49 -1.52 4.45 0.24 -1.16 -4.70 118.33 124.35 2dkr n VAL 63 Ca 0.21 -0.78 -0.41 0.00 -2.04 0.00 0.00 64.34 61.32 2dkr n VAL 63 Cb 0.47 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 31.92 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dkr n GLU 64 N -2.96 0.94 0.00 7.34 -0.58 -1.18 -0.66 120.64 123.54 2dkr n GLU 64 Ca -0.31 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2dkr n GLU 64 Cb 1.10 -2.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 65 N 6.20 2.28 3.52 0.62 0.00 -1.26 -5.10 105.19 111.45 2dkr n GLY 65 Ca 0.43 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -1.60 0.16 1.61 0.41 0.17 -4.50 118.70 114.95 2dkr s GLU 66 Ca 0.00 0.04 -0.23 0.00 -0.41 0.00 0.00 54.97 54.37 2dkr s GLU 66 Cb 0.00 -1.54 -0.08 0.00 -1.78 0.00 0.00 34.13 30.73 2dkr s GLU 66 CO 0.00 -3.99 0.73 1.14 -0.49 0.00 0.00 175.26 172.66 2dkr s GLN 67 N -5.26 4.44 0.28 1.61 -2.07 -1.26 -2.67 119.66 114.73 2dkr s GLN 67 Ca 0.70 1.03 -0.07 0.00 -1.82 0.00 0.00 55.36 55.20 2dkr s GLN 67 Cb -0.12 -3.17 0.48 0.00 -1.09 0.00 0.00 33.01 29.11 2dkr s GLN 67 CO 0.57 0.54 1.57 1.25 -1.32 0.00 0.00 175.29 177.90 2dkr h HIS 68 N 4.16 -0.43 -0.91 9.60 -0.00 -1.87 0.27 115.15 125.97 2dkr h HIS 68 Ca -0.48 0.08 0.18 0.00 -0.00 0.00 0.00 60.37 60.15 2dkr h HIS 68 Cb 1.20 0.34 -0.17 0.00 -0.00 0.00 0.00 27.41 28.78 2dkr h HIS 68 CO 0.65 -0.41 -0.25 1.49 -0.00 0.00 0.00 177.93 179.41 2dkr h GLU 69 N 0.00 -0.01 0.06 5.26 4.81 -1.92 -0.40 114.58 122.39 2dkr h GLU 69 Ca 0.48 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.72 2dkr h GLU 69 Cb 0.77 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 2dkr h GLU 69 CO -0.96 -0.00 -0.51 -0.22 -0.73 0.00 0.00 179.01 176.59 2dkr h LYS 70 N -0.01 -0.66 -0.92 1.92 3.64 -0.84 -1.91 116.57 117.80 2dkr h LYS 70 Ca 0.42 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.95 2dkr h LYS 70 Cb 0.66 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.50 2dkr h LYS 70 CO -0.94 -0.44 -0.47 0.00 -2.27 0.00 0.00 179.45 175.33 2dkr n ALA 71 N -2.92 -0.41 -0.00 5.00 0.00 -0.18 -0.40 120.51 121.59 2dkr n ALA 71 Ca -0.08 0.83 -0.10 0.00 0.00 0.00 0.00 53.44 54.10 2dkr n ALA 71 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.56 2dkr n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dkr h VAL 72 N 0.00 0.33 -0.62 0.00 2.07 -1.20 -2.00 116.25 114.84 2dkr h VAL 72 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.86 2dkr h VAL 72 Cb 0.44 0.33 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 2dkr h VAL 72 CO -0.88 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 176.23 2dkr h GLU 73 N -0.36 0.00 -0.03 1.57 4.39 0.06 -1.89 114.58 118.33 2dkr h GLU 73 Ca 0.10 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.83 2dkr h GLU 73 Cb 0.51 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 2dkr h GLU 73 CO -0.34 0.00 -0.51 -0.07 -1.16 0.00 0.00 179.01 176.93 2dkr h LEU 74 N 0.00 -1.59 -0.94 1.33 3.38 -0.43 0.69 115.31 117.76 2dkr h LEU 74 Ca 0.30 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.63 2dkr h LEU 74 Cb 0.46 0.61 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 2dkr h LEU 74 CO -0.64 -0.50 -0.25 0.18 0.09 0.00 0.00 178.44 177.31 2dkr n LEU 75 N -5.46 -0.38 -0.19 1.67 4.77 -0.73 0.11 117.00 116.80 2dkr n LEU 75 Ca -0.07 1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 57.44 2dkr n LEU 75 Cb 0.39 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2dkr n LEU 75 CO 0.12 -1.55 0.76 0.11 -1.33 0.00 0.00 177.39 175.50 2dkr h LYS 76 N 0.00 1.04 -0.95 3.23 1.57 -1.15 -3.03 116.57 117.28 2dkr h LYS 76 Ca 0.44 -0.38 0.29 0.00 -1.87 0.00 0.00 60.65 59.13 2dkr h LYS 76 Cb 0.67 -0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.76 2dkr h LYS 76 CO -0.97 1.07 0.37 0.00 -0.57 0.00 0.00 179.45 179.35 2dkr h ALA 77 N 0.94 1.62 -2.87 3.86 0.00 0.32 -3.40 119.26 119.73 2dkr h ALA 77 Ca 0.15 0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.76 2dkr h ALA 77 Cb 0.66 0.28 0.08 0.00 0.00 0.00 0.00 17.79 18.81 2dkr h ALA 77 CO 0.05 -0.57 0.61 0.00 0.00 0.00 0.00 179.25 179.34 2dkr s ALA 78 N -5.80 3.27 -0.07 0.00 0.00 -0.98 -4.94 121.76 113.24 2dkr s ALA 78 Ca -0.11 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.11 2dkr s ALA 78 Cb 0.29 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 2dkr s ALA 78 CO 0.78 -0.81 -0.02 0.00 0.00 0.00 0.00 175.76 175.71 2dkr n GLN 79 N 0.16 1.84 -0.09 0.00 10.64 -1.26 -4.86 117.38 123.80 2dkr n GLN 79 Ca 0.03 0.02 -0.11 0.00 -1.83 0.00 0.00 57.00 55.11 2dkr n GLN 79 Cb 0.43 -1.15 -0.04 0.00 -0.86 0.00 0.00 30.24 28.62 2dkr n GLN 79 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dkr n GLY 80 N 2.85 -0.70 3.31 2.61 0.00 -1.26 -4.83 105.19 107.17 2dkr n GLY 80 Ca -0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -6.12 -0.23 -0.06 1.61 1.04 -1.26 -1.90 113.70 106.78 2dkr s SER 81 Ca -0.25 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 55.96 2dkr s SER 81 Cb 0.05 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2dkr s SER 81 CO 0.38 -0.82 -0.23 0.68 0.98 0.00 0.00 173.24 174.22 2dkr s VAL 82 N -3.60 2.21 -0.47 5.02 -7.23 -1.02 -4.84 120.40 110.47 2dkr s VAL 82 Ca 0.02 -1.01 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 2dkr s VAL 82 Cb 0.02 -1.81 0.10 0.00 0.56 0.00 0.00 36.38 35.24 2dkr s VAL 82 CO -0.11 0.57 0.37 -0.75 -0.31 0.00 0.00 175.10 174.88 2dkr s LYS 83 N -0.21 2.77 -0.41 4.82 2.20 -1.26 -2.07 119.74 125.59 2dkr s LYS 83 Ca -0.02 -1.55 -0.18 0.00 -0.36 0.00 0.00 55.97 53.86 2dkr s LYS 83 Cb -0.13 -4.03 0.02 0.00 -1.51 0.00 0.00 37.83 32.17 2dkr s LYS 83 CO 0.03 -1.11 0.48 -0.51 -0.36 0.00 0.00 175.35 173.88 2dkr s LEU 84 N 1.51 4.68 0.00 5.43 1.43 -0.37 -1.48 118.68 129.89 2dkr s LEU 84 Ca 0.04 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 2dkr s LEU 84 Cb -0.26 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 2dkr s LEU 84 CO 0.03 -0.58 0.47 -0.69 0.23 0.00 0.00 176.35 175.81 2dkr s VAL 85 N 2.29 4.96 0.04 -1.59 1.01 0.67 -0.84 120.40 126.93 2dkr s VAL 85 Ca 0.15 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 2dkr s VAL 85 Cb -0.16 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2dkr s VAL 85 CO 0.14 0.53 0.04 0.68 0.00 0.00 0.00 175.10 176.49 2dkr s VAL 86 N -0.81 0.15 -0.17 2.92 -7.23 0.20 0.07 120.40 115.53 2dkr s VAL 86 Ca 0.26 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.14 2dkr s VAL 86 Cb -0.17 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2dkr s VAL 86 CO 0.15 -0.68 0.01 -0.60 -0.31 0.00 0.00 175.10 173.67 2dkr s ARG 87 N -2.72 3.80 -0.19 4.82 3.52 -1.24 -1.75 118.95 125.20 2dkr s ARG 87 Ca -0.04 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2dkr s ARG 87 Cb -0.01 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2dkr s ARG 87 CO -0.05 0.23 -0.11 -1.54 -0.81 0.00 0.00 175.30 173.01 2dkr s SER 88 N 0.45 3.91 0.00 -2.12 1.04 -1.26 -4.45 113.70 111.27 2dkr s SER 88 Ca -0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2dkr s SER 88 Cb -0.13 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.35 2dkr s SER 88 CO 0.02 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2dkr n GLY 89 N 4.41 -0.93 0.00 7.32 0.00 -1.26 -4.85 105.19 109.88 2dkr n GLY 89 Ca -0.19 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.37 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 0.49 -0.63 1.61 -0.04 -1.26 -4.84 135.00 130.33 2dkr n PRO 90 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2dkr n PRO 90 Cb 0.00 -1.37 0.18 0.00 -0.04 0.00 0.00 33.50 32.26 2dkr n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dkr n SER 91 N -0.87 -2.53 -4.99 3.54 7.64 -1.26 -5.01 113.62 110.14 2dkr n SER 91 Ca 0.09 -0.20 -0.19 0.00 1.01 0.00 0.00 58.87 59.58 2dkr n SER 91 Cb 0.04 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2dkr n SER 91 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkr s SER 92 N -1.90 5.88 0.00 6.43 1.04 -1.26 -5.18 113.70 118.72 2dkr s SER 92 Ca 0.54 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2dkr s SER 92 Cb -0.11 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2dkr s SER 92 CO 0.61 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.90