#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr h SER 2 N 0.00 -1.20 0.51 1.61 0.87 -2.08 -3.28 113.55 109.98 2dkr h SER 2 Ca 0.00 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2dkr h SER 2 Cb 0.00 0.36 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2dkr h SER 2 CO 0.00 -0.70 -0.25 -1.28 -0.53 0.00 0.00 176.83 174.07 2dkr h SER 3 N -1.11 -0.58 -5.08 6.23 0.87 -2.11 -3.47 113.55 108.30 2dkr h SER 3 Ca -0.09 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2dkr h SER 3 Cb 0.90 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.86 2dkr h SER 3 CO 0.07 -0.21 -0.24 -0.83 -0.53 0.00 0.00 176.83 175.08 2dkr s GLY 4 N -2.58 -0.10 1.26 5.77 0.00 -1.24 -5.16 107.32 105.27 2dkr s GLY 4 Ca -0.14 -0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.27 2dkr s GLY 4 CO 0.48 -0.37 0.99 -1.35 0.00 0.00 0.00 173.10 172.84 2dkr s SER 5 N -2.39 0.17 -0.07 1.64 1.04 -1.26 -0.01 113.70 112.82 2dkr s SER 5 Ca -0.01 1.34 -0.18 0.00 0.48 0.00 0.00 55.95 57.58 2dkr s SER 5 Cb 0.01 -2.05 -0.14 0.00 0.10 0.00 0.00 66.02 63.94 2dkr s SER 5 CO -0.07 -4.67 0.71 0.28 0.98 0.00 0.00 173.24 170.47 2dkr h SER 6 N -2.95 -0.15 0.00 7.02 0.02 -1.94 -3.40 113.55 112.16 2dkr h SER 6 Ca -0.59 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2dkr h SER 6 Cb 1.34 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2dkr h SER 6 CO 0.45 0.44 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 2dkr n GLY 7 N 0.90 -0.17 3.77 -3.77 0.00 -1.25 -4.20 105.19 100.47 2dkr n GLY 7 Ca -0.07 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 3.69 -0.21 1.61 0.11 -1.26 -3.62 120.40 120.72 2dkr s VAL 8 Ca 0.00 1.45 0.01 0.00 -2.93 0.00 0.00 61.98 60.51 2dkr s VAL 8 Cb 0.00 -3.83 0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2dkr s VAL 8 CO 0.00 0.16 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.15 2dkr s VAL 9 N -1.47 1.61 -0.32 2.04 1.01 0.77 -4.98 120.40 119.06 2dkr s VAL 9 Ca 0.52 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2dkr s VAL 9 Cb -0.25 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2dkr s VAL 9 CO 0.32 0.10 0.28 -0.70 0.00 0.00 0.00 175.10 175.09 2dkr s GLU 10 N 1.40 3.64 0.05 2.72 -6.30 -1.26 -1.27 118.70 117.67 2dkr s GLU 10 Ca -0.03 -0.46 0.03 0.00 -2.50 0.00 0.00 54.97 52.01 2dkr s GLU 10 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 34.13 30.16 2dkr s GLU 10 CO -0.08 -0.40 0.03 -0.51 0.02 0.00 0.00 175.26 174.32 2dkr s LEU 11 N 1.84 3.61 -0.17 2.70 1.43 -0.98 -4.98 118.68 122.13 2dkr s LEU 11 Ca 0.09 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 2dkr s LEU 11 Cb -0.17 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2dkr s LEU 11 CO 0.11 0.22 1.57 -2.16 0.23 0.00 0.00 176.35 176.32 2dkr s PRO 12 N -2.03 3.97 -0.26 1.29 0.04 -1.26 -2.32 135.00 134.43 2dkr s PRO 12 Ca 0.24 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.77 2dkr s PRO 12 Cb -0.12 -3.98 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 2dkr s PRO 12 CO 0.16 -1.08 2.18 1.17 0.04 0.00 0.00 177.00 179.47 2dkr n LYS 13 N 7.36 1.62 -3.72 4.56 3.00 -0.65 -4.93 118.16 125.41 2dkr n LYS 13 Ca 0.18 0.46 -0.23 0.00 -0.00 0.00 0.00 58.31 58.71 2dkr n LYS 13 Cb 0.44 -2.86 -0.17 0.00 0.00 0.00 0.00 35.03 32.44 2dkr n LYS 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2dkr s THR 14 N 7.48 0.21 0.45 3.15 -4.23 -1.26 -4.73 115.64 116.71 2dkr s THR 14 Ca 1.04 0.04 0.27 0.00 -1.18 0.00 0.00 61.69 61.86 2dkr s THR 14 Cb -0.59 -0.53 0.47 0.00 1.34 0.00 0.00 72.50 73.19 2dkr s THR 14 CO 0.43 0.08 1.74 0.44 -0.54 0.00 0.00 174.62 176.77 2dkr h ASP 15 N 8.35 0.27 -0.78 3.99 3.32 -2.02 0.14 116.42 129.69 2dkr h ASP 15 Ca -0.16 0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.14 2dkr h ASP 15 Cb 1.13 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 2dkr h ASP 15 CO 0.25 -0.00 0.22 -0.08 -1.72 0.00 0.00 179.24 177.91 2dkr h GLU 16 N 0.21 0.28 0.00 3.56 4.57 -1.98 -3.47 114.58 117.74 2dkr h GLU 16 Ca 0.65 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 2dkr h GLU 16 Cb 2.02 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 2dkr h GLU 16 CO -0.24 0.18 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 2dkr n GLY 17 N -1.36 1.86 0.07 1.92 0.00 0.49 -5.00 105.19 103.17 2dkr n GLY 17 Ca 0.16 -1.76 -0.09 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 2.40 -0.07 0.99 7.99 -1.26 -4.67 117.00 122.37 2dkr n LEU 18 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 2dkr n LEU 18 Cb 0.00 -0.35 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 2dkr n LEU 18 CO 0.00 0.65 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 2dkr n GLY 19 N 2.72 1.11 3.19 -0.72 0.00 -1.26 0.59 105.19 110.82 2dkr n GLY 19 Ca -0.24 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.14 0.00 -0.05 1.61 -0.71 -1.26 -2.24 117.98 113.19 2dkr s PHE 20 Ca 0.00 -0.16 0.01 0.00 -1.04 0.00 0.00 56.93 55.74 2dkr s PHE 20 Cb 0.00 -0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2dkr s PHE 20 CO 0.00 -0.42 -0.06 -0.80 -1.34 0.00 0.00 175.22 172.61 2dkr s ASN 21 N -1.90 1.09 0.16 1.98 -0.87 -0.05 -5.00 114.94 110.34 2dkr s ASN 21 Ca -0.07 -0.16 0.07 0.00 -1.57 0.00 0.00 52.86 51.14 2dkr s ASN 21 Cb -0.02 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.25 40.66 2dkr s ASN 21 CO -0.02 -0.04 -0.04 0.27 -2.57 0.00 0.00 177.10 174.70 2dkr s ILE 22 N 0.89 3.56 -0.05 0.60 -4.36 -1.26 0.53 121.20 121.10 2dkr s ILE 22 Ca -0.11 -1.43 -0.12 0.00 -0.26 0.00 0.00 60.65 58.72 2dkr s ILE 22 Cb -0.15 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.83 2dkr s ILE 22 CO 0.01 -0.06 0.29 0.00 0.24 0.00 0.00 174.94 175.41 2dkr s MET 23 N -2.77 0.53 0.00 0.37 0.23 -1.16 -4.82 119.30 111.68 2dkr s MET 23 Ca 0.26 0.03 0.00 0.00 -1.03 0.00 0.00 55.69 54.95 2dkr s MET 23 Cb -0.10 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.44 2dkr s MET 23 CO 0.17 -0.12 0.00 0.41 -2.03 0.00 0.00 175.02 173.45 2dkr n GLY 24 N 1.93 0.63 0.00 3.16 0.00 -1.26 -3.89 105.19 105.76 2dkr n GLY 24 Ca -0.18 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.69 -0.23 0.07 -0.02 0.00 -0.30 -4.39 105.19 101.01 2dkr n GLY 25 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 1.35 -1.49 1.61 4.81 -1.26 -3.77 118.16 119.42 2dkr n LYS 26 Ca 0.00 0.03 -0.49 0.00 -0.87 0.00 0.00 58.31 56.98 2dkr n LYS 26 Cb 0.00 -1.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.63 2dkr n LYS 26 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dkr n GLU 27 N -2.66 1.34 -3.15 1.64 4.07 -1.26 -0.86 120.64 119.76 2dkr n GLU 27 Ca -0.25 0.37 -0.22 0.00 -0.06 0.00 0.00 57.16 57.00 2dkr n GLU 27 Cb 0.92 -2.68 0.01 0.00 -0.06 0.00 0.00 31.44 29.62 2dkr n GLU 27 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2dkr n GLN 28 N 8.32 -3.70 -3.91 5.31 7.27 -1.26 -1.04 117.38 128.37 2dkr n GLN 28 Ca 0.38 0.62 -0.28 0.00 0.07 0.00 0.00 57.00 57.79 2dkr n GLN 28 Cb 0.29 -5.37 0.01 0.00 2.41 0.00 0.00 30.24 27.59 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 -2.30 -3.23 -4.73 1.69 3.02 -0.04 -4.92 115.26 104.74 2dkr n ASN 29 Ca -0.06 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 2dkr n ASN 29 Cb 0.57 -3.67 -0.05 0.00 -0.61 0.00 0.00 39.78 36.03 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 -3.68 7.37 0.45 6.41 0.15 -0.21 -4.96 113.70 119.22 2dkr s SER 30 Ca 0.44 1.64 -0.23 0.00 0.70 0.00 0.00 55.95 58.49 2dkr s SER 30 Cb -0.23 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 2dkr s SER 30 CO 0.85 -0.05 1.17 -2.16 1.20 0.00 0.00 173.24 174.25 2dkr s PRO 31 N 0.05 3.83 0.13 5.44 0.04 -1.26 -1.15 135.00 142.07 2dkr s PRO 31 Ca 0.44 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 2dkr s PRO 31 Cb -0.22 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 2dkr s PRO 31 CO 0.27 -0.50 1.02 0.42 0.04 0.00 0.00 177.00 178.25 2dkr s ILE 32 N -1.51 4.27 0.27 0.56 1.01 -1.26 -4.47 121.20 120.07 2dkr s ILE 32 Ca 0.62 1.89 -0.19 0.00 0.00 0.00 0.00 60.65 62.98 2dkr s ILE 32 Cb -0.29 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 37.98 2dkr s ILE 32 CO 0.36 0.29 0.65 -0.72 0.00 0.00 0.00 174.94 175.52 2dkr s TYR 33 N -0.03 -0.03 -0.28 3.97 -0.85 -1.25 -0.14 117.35 118.74 2dkr s TYR 33 Ca 0.48 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 56.34 2dkr s TYR 33 Cb -0.26 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 2dkr s TYR 33 CO 0.31 -1.17 1.42 0.42 -1.52 0.00 0.00 175.55 175.02 2dkr s ILE 34 N -3.95 3.97 -0.16 -3.49 -1.09 -0.86 -3.00 121.20 112.62 2dkr s ILE 34 Ca 0.14 1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 59.43 2dkr s ILE 34 Cb -0.04 -4.01 -0.19 0.00 -1.58 0.00 0.00 42.46 36.64 2dkr s ILE 34 CO 0.07 -0.43 0.42 0.77 -1.23 0.00 0.00 174.94 174.54 2dkr h SER 35 N 9.90 0.00 -4.43 3.58 4.64 -0.24 -1.23 113.55 125.77 2dkr h SER 35 Ca -0.29 -0.65 -0.35 0.00 -0.47 0.00 0.00 61.79 60.03 2dkr h SER 35 Cb 1.12 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.01 2dkr h SER 35 CO 1.03 1.13 -0.75 -0.60 -0.87 0.00 0.00 176.83 176.76 2dkr s ARG 36 N -2.22 0.81 -0.01 4.77 6.06 -0.86 -4.86 118.95 122.64 2dkr s ARG 36 Ca -0.21 -1.04 0.01 0.00 -2.50 0.00 0.00 55.73 51.98 2dkr s ARG 36 Cb 0.01 -0.64 0.01 0.00 0.06 0.00 0.00 34.95 34.39 2dkr s ARG 36 CO 0.56 0.12 -0.02 0.08 -2.50 0.00 0.00 175.30 173.54 2dkr s VAL 37 N -1.87 0.18 0.15 7.11 1.01 -1.26 -0.87 120.40 124.84 2dkr s VAL 37 Ca 0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2dkr s VAL 37 Cb -0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.05 2dkr s VAL 37 CO 0.01 0.08 1.16 -0.63 0.00 0.00 0.00 175.10 175.72 2dkr s ILE 38 N 0.30 3.81 -2.00 2.22 -1.09 -0.95 -4.90 121.20 118.59 2dkr s ILE 38 Ca -0.03 1.48 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 2dkr s ILE 38 Cb -0.05 -3.94 0.13 0.00 -1.58 0.00 0.00 42.46 37.02 2dkr s ILE 38 CO -0.01 0.22 0.75 -0.81 -1.23 0.00 0.00 174.94 173.85 2dkr n PRO 39 N 2.78 0.49 -2.64 2.79 -0.04 -1.26 -3.47 135.00 133.64 2dkr n PRO 39 Ca 0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 2dkr n PRO 39 Cb 0.46 -1.15 0.04 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.13 3.64 0.55 0.00 -1.26 -4.98 105.19 103.25 2dkr n GLY 40 Ca 0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.59 2.04 0.38 -0.02 0.00 -1.23 -4.93 107.32 102.97 2dkr s GLY 41 Ca 0.11 -1.94 0.22 0.00 0.00 0.00 0.00 44.72 43.11 2dkr s GLY 41 CO -0.05 -1.88 1.59 -2.08 0.00 0.00 0.00 173.10 170.68 2dkr h VAL 42 N 1.80 0.03 0.51 1.40 2.07 -1.61 0.17 116.25 120.62 2dkr h VAL 42 Ca -0.43 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2dkr h VAL 42 Cb 1.25 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2dkr h VAL 42 CO 0.66 0.01 -0.25 0.00 0.02 0.00 0.00 177.57 178.01 2dkr h ALA 43 N 1.93 -0.86 -0.49 1.67 0.00 -0.10 -2.06 119.26 119.35 2dkr h ALA 43 Ca 0.84 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.68 2dkr h ALA 43 Cb 2.27 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 20.23 2dkr h ALA 43 CO -0.71 -0.81 -0.45 0.22 0.00 0.00 0.00 179.25 177.49 2dkr h ASP 44 N -0.93 -1.54 -0.27 0.00 3.58 -1.24 -1.41 116.42 114.61 2dkr h ASP 44 Ca -0.07 0.24 0.06 0.00 0.42 0.00 0.00 57.03 57.68 2dkr h ASP 44 Cb 0.53 0.68 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 2dkr h ASP 44 CO 0.12 -0.36 -0.30 0.03 -2.88 0.00 0.00 179.24 175.84 2dkr h ARG 45 N -0.29 -0.29 -0.98 0.28 3.08 -1.24 -1.38 114.38 113.56 2dkr h ARG 45 Ca 0.15 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.44 2dkr h ARG 45 Cb 0.58 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.51 2dkr h ARG 45 CO -0.63 -0.19 -0.12 1.25 -1.07 0.00 0.00 179.97 179.21 2dkr h HIS 46 N -0.30 -0.30 -2.49 3.04 2.76 -0.51 -3.46 115.15 113.89 2dkr h HIS 46 Ca 0.14 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2dkr h HIS 46 Cb 0.52 0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2dkr h HIS 46 CO -0.46 -0.42 0.00 0.41 -1.30 0.00 0.00 177.93 176.16 2dkr n GLY 47 N -1.56 0.26 0.01 5.26 0.00 -0.52 -5.00 105.19 103.64 2dkr n GLY 47 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.98 0.24 3.72 -0.02 0.00 -1.26 -5.12 105.19 101.78 2dkr n GLY 48 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.53 4.21 0.08 0.99 1.43 -1.26 -5.00 118.68 116.60 2dkr s LEU 49 Ca 0.00 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 2dkr s LEU 49 Cb 0.00 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2dkr s LEU 49 CO 0.00 0.12 0.11 -0.54 0.23 0.00 0.00 176.35 176.27 2dkr s LYS 50 N 0.55 0.79 -0.01 1.70 1.02 -1.26 -4.59 119.74 117.94 2dkr s LYS 50 Ca 0.12 -1.10 -0.35 0.00 0.02 0.00 0.00 55.97 54.66 2dkr s LYS 50 Cb -0.12 0.29 -0.13 0.00 -0.52 0.00 0.00 37.83 37.35 2dkr s LYS 50 CO 0.02 -0.22 1.74 -2.13 -0.92 0.00 0.00 175.35 173.83 2dkr n ARG 51 N -0.02 2.06 0.00 1.68 0.63 -1.26 -1.95 116.66 117.80 2dkr n ARG 51 Ca -0.13 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2dkr n ARG 51 Cb 0.62 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.98 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 3.96 2.00 3.53 5.14 0.00 -0.47 -4.96 105.19 114.40 2dkr n GLY 52 Ca 0.21 -0.60 -0.50 0.00 0.00 0.00 0.00 46.02 45.13 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 0.07 2.55 -4.65 1.61 9.92 -0.82 -4.54 116.55 120.70 2dkr n ASP 53 Ca 0.00 0.54 -0.43 0.00 -0.53 0.00 0.00 54.79 54.37 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 5.62 4.18 -0.14 -1.24 0.74 -1.26 -2.03 119.66 125.54 2dkr s GLN 54 Ca 1.04 1.50 -0.29 0.00 0.05 0.00 0.00 55.36 57.66 2dkr s GLN 54 Cb -0.77 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 29.54 2dkr s GLN 54 CO 0.49 -0.76 1.74 -1.17 -0.55 0.00 0.00 175.29 175.04 2dkr s LEU 55 N 3.56 4.05 -0.14 3.68 2.96 0.80 -2.87 118.68 130.71 2dkr s LEU 55 Ca 0.52 1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 56.31 2dkr s LEU 55 Cb -0.19 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2dkr s LEU 55 CO 0.14 -1.21 -0.13 -0.07 -1.32 0.00 0.00 176.35 173.76 2dkr h LEU 56 N 11.48 0.00 -7.32 -0.68 3.38 -1.70 -3.36 115.31 117.11 2dkr h LEU 56 Ca -0.38 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 2dkr h LEU 56 Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.69 2dkr h LEU 56 CO 0.97 0.79 -0.25 -0.44 0.09 0.00 0.00 178.44 179.60 2dkr s SER 57 N -5.80 -0.43 -0.03 -0.43 0.01 -1.26 -2.01 113.70 103.76 2dkr s SER 57 Ca -0.15 0.82 0.06 0.00 1.31 0.00 0.00 55.95 57.99 2dkr s SER 57 Cb 0.02 0.82 -0.02 0.00 0.21 0.00 0.00 66.02 67.05 2dkr s SER 57 CO 0.23 -0.14 -0.21 -0.69 0.41 0.00 0.00 173.24 172.84 2dkr s VAL 58 N 0.29 2.49 -1.44 3.43 1.01 0.35 -1.48 120.40 125.06 2dkr s VAL 58 Ca -0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2dkr s VAL 58 Cb -0.03 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.50 2dkr s VAL 58 CO -0.00 0.57 0.69 0.59 0.00 0.00 0.00 175.10 176.95 2dkr n ASN 59 N 2.33 -4.42 -1.38 3.32 3.02 0.73 -0.22 115.26 118.64 2dkr n ASN 59 Ca -0.17 -0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 53.72 2dkr n ASN 59 Cb 0.52 -3.59 -0.01 0.00 -0.61 0.00 0.00 39.78 36.08 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 -1.41 0.02 2.97 7.41 0.00 -1.26 -4.99 105.19 107.92 2dkr n GLY 60 Ca -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.61 0.92 -0.31 1.61 1.01 0.70 -5.10 120.40 116.63 2dkr s VAL 61 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2dkr s VAL 61 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2dkr s VAL 61 CO 0.00 0.31 1.83 -0.44 0.00 0.00 0.00 175.10 176.80 2dkr s SER 62 N 0.80 5.89 -0.11 3.32 0.01 -1.26 -0.50 113.70 121.84 2dkr s SER 62 Ca -0.13 1.40 0.19 0.00 1.31 0.00 0.00 55.95 58.73 2dkr s SER 62 Cb -0.15 -2.52 -0.28 0.00 0.21 0.00 0.00 66.02 63.27 2dkr s SER 62 CO 0.02 -1.70 0.26 1.33 0.41 0.00 0.00 173.24 173.56 2dkr n VAL 63 N 7.39 0.70 -0.32 3.43 0.24 -0.99 -4.39 118.33 124.38 2dkr n VAL 63 Ca 0.23 -0.66 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2dkr n VAL 63 Cb 0.46 -0.24 0.37 0.00 -1.47 0.00 0.00 33.84 32.97 2dkr n VAL 63 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2dkr h GLU 64 N 0.00 0.66 -1.18 7.34 -0.00 -1.56 -0.51 114.58 119.32 2dkr h GLU 64 Ca -0.28 -0.04 -0.69 0.00 -0.00 0.00 0.00 59.36 58.36 2dkr h GLU 64 Cb 1.61 -0.15 -0.30 0.00 -0.00 0.00 0.00 28.75 29.91 2dkr h GLU 64 CO 0.02 0.43 0.75 0.41 -0.00 0.00 0.00 179.01 180.62 2dkr n GLY 65 N -1.39 5.85 3.44 1.06 0.00 -1.26 -4.81 105.19 108.08 2dkr n GLY 65 Ca 0.22 -2.38 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.85 1.51 0.31 1.61 0.41 -0.20 -5.12 118.70 113.36 2dkr s GLU 66 Ca 0.61 -1.49 -0.27 0.00 -0.41 0.00 0.00 54.97 53.41 2dkr s GLU 66 Cb 0.49 0.40 -0.09 0.00 -1.78 0.00 0.00 34.13 33.14 2dkr s GLU 66 CO -0.09 -0.59 0.99 -0.65 -0.49 0.00 0.00 175.26 174.43 2dkr s GLN 67 N -3.86 4.59 0.15 1.61 1.11 -1.26 -4.70 119.66 117.30 2dkr s GLN 67 Ca 0.30 1.49 -0.26 0.00 0.01 0.00 0.00 55.36 56.90 2dkr s GLN 67 Cb 0.02 -2.95 -0.03 0.00 -1.01 0.00 0.00 33.01 29.04 2dkr s GLN 67 CO 0.13 0.26 1.37 1.58 0.01 0.00 0.00 175.29 178.63 2dkr n HIS 68 N 0.81 -0.34 -0.34 0.91 -0.00 -1.26 0.05 115.22 115.05 2dkr n HIS 68 Ca 0.01 1.11 0.01 0.00 -0.00 0.00 0.00 57.72 58.84 2dkr n HIS 68 Cb 0.48 -0.60 0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2dkr n HIS 68 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2dkr n GLU 69 N -5.13 -0.18 -0.31 1.57 4.71 -1.26 0.10 120.64 120.14 2dkr n GLU 69 Ca 0.03 1.39 0.13 0.00 -0.01 0.00 0.00 57.16 58.70 2dkr n GLU 69 Cb 0.25 -2.07 0.28 0.00 -1.01 0.00 0.00 31.44 28.89 2dkr n GLU 69 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2dkr h LYS 70 N 0.00 0.10 0.01 3.49 1.63 -0.75 0.18 116.57 121.23 2dkr h LYS 70 Ca 0.35 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 2dkr h LYS 70 Cb 0.57 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 2dkr h LYS 70 CO -0.90 0.06 -0.10 0.00 -3.45 0.00 0.00 179.45 175.06 2dkr h ALA 71 N 1.86 -0.11 -0.62 5.00 0.00 0.68 -2.56 119.26 123.50 2dkr h ALA 71 Ca 0.56 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.57 2dkr h ALA 71 Cb 1.14 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2dkr h ALA 71 CO -0.77 -0.59 0.22 0.28 0.00 0.00 0.00 179.25 178.39 2dkr h VAL 72 N -0.17 0.74 -0.28 0.00 2.07 -0.50 -1.98 116.25 116.12 2dkr h VAL 72 Ca 0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2dkr h VAL 72 Cb 0.21 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2dkr h VAL 72 CO -0.09 0.07 -0.14 -0.33 0.02 0.00 0.00 177.57 177.10 2dkr h GLU 73 N 0.39 -0.09 0.24 1.57 4.39 -0.93 -2.78 114.58 117.36 2dkr h GLU 73 Ca 0.32 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2dkr h GLU 73 Cb 0.41 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2dkr h GLU 73 CO -0.33 -0.06 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.90 2dkr h LEU 74 N -0.10 -1.43 -0.85 1.33 3.38 -0.99 0.32 115.31 116.97 2dkr h LEU 74 Ca 0.15 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.41 2dkr h LEU 74 Cb 0.32 0.51 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 2dkr h LEU 74 CO -0.35 -0.56 -0.26 0.18 0.09 0.00 0.00 178.44 177.54 2dkr n LEU 75 N -5.29 -0.41 -0.10 1.67 4.77 -0.99 0.11 117.00 116.76 2dkr n LEU 75 Ca -0.09 1.47 -0.14 0.00 -0.03 0.00 0.00 56.01 57.22 2dkr n LEU 75 Cb 0.40 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2dkr n LEU 75 CO 0.18 -1.37 0.51 0.11 -1.33 0.00 0.00 177.39 175.50 2dkr h LYS 76 N 0.00 0.88 -0.87 3.23 1.57 -1.19 -3.14 116.57 117.05 2dkr h LYS 76 Ca 0.36 -0.50 0.19 0.00 -1.87 0.00 0.00 60.65 58.83 2dkr h LYS 76 Cb 0.57 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.80 2dkr h LYS 76 CO -0.86 1.14 0.40 0.00 -0.57 0.00 0.00 179.45 179.56 2dkr h ALA 77 N 0.73 1.36 -1.87 3.86 0.00 0.48 -3.42 119.26 120.39 2dkr h ALA 77 Ca 0.04 0.13 -0.44 0.00 0.00 0.00 0.00 54.91 54.64 2dkr h ALA 77 Cb 1.02 0.08 0.23 0.00 0.00 0.00 0.00 17.79 19.12 2dkr h ALA 77 CO 0.10 -0.24 -0.62 0.00 0.00 0.00 0.00 179.25 178.49 2dkr n ALA 78 N -2.47 -3.71 -3.39 0.00 0.00 -0.26 -5.04 120.51 105.63 2dkr n ALA 78 Ca 0.20 -1.28 -0.04 0.00 0.00 0.00 0.00 53.44 52.32 2dkr n ALA 78 Cb 0.56 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.86 0.44 0.00 0.00 -0.21 -1.26 -4.93 119.66 109.83 2dkr s GLN 79 Ca 0.62 0.89 0.00 0.00 0.02 0.00 0.00 55.36 56.89 2dkr s GLN 79 Cb -0.18 0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.99 2dkr s GLN 79 CO 0.66 -0.50 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2dkr n GLY 80 N 5.40 2.73 3.55 3.09 0.00 -1.26 -4.93 105.19 113.77 2dkr n GLY 80 Ca -0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.70 -0.04 1.61 1.04 -1.26 -1.63 113.70 112.71 2dkr s SER 81 Ca 0.00 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.78 2dkr s SER 81 Cb 0.00 1.30 -0.03 0.00 0.10 0.00 0.00 66.02 67.40 2dkr s SER 81 CO 0.00 -0.22 -0.15 0.68 0.98 0.00 0.00 173.24 174.52 2dkr s VAL 82 N 0.54 2.99 -0.36 5.02 -7.23 -0.98 -4.85 120.40 115.52 2dkr s VAL 82 Ca -0.02 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 2dkr s VAL 82 Cb -0.05 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2dkr s VAL 82 CO -0.02 0.57 0.24 -0.75 -0.31 0.00 0.00 175.10 174.82 2dkr s LYS 83 N -0.78 3.14 -0.38 4.82 2.20 -1.26 -2.33 119.74 125.15 2dkr s LYS 83 Ca 0.12 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 54.79 2dkr s LYS 83 Cb -0.11 -3.80 0.08 0.00 -1.51 0.00 0.00 37.83 32.49 2dkr s LYS 83 CO 0.01 -0.60 0.17 -0.51 -0.36 0.00 0.00 175.35 174.06 2dkr s LEU 84 N 1.65 4.83 0.17 5.43 1.43 -0.40 -0.19 118.68 131.59 2dkr s LEU 84 Ca 0.04 -1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 51.42 2dkr s LEU 84 Cb -0.18 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 2dkr s LEU 84 CO 0.09 -0.46 0.61 -0.69 0.23 0.00 0.00 176.35 176.13 2dkr s VAL 85 N 1.31 4.74 0.15 -1.59 1.01 -0.55 -0.16 120.40 125.31 2dkr s VAL 85 Ca 0.02 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 2dkr s VAL 85 Cb -0.22 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2dkr s VAL 85 CO -0.00 0.25 0.34 0.68 0.00 0.00 0.00 175.10 176.36 2dkr s VAL 86 N -1.47 0.07 -0.04 2.92 -7.23 -1.24 -1.96 120.40 111.46 2dkr s VAL 86 Ca 0.39 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2dkr s VAL 86 Cb -0.16 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2dkr s VAL 86 CO 0.20 -0.32 0.03 -0.60 -0.31 0.00 0.00 175.10 174.09 2dkr s ARG 87 N -3.90 2.96 -0.05 4.82 3.52 -1.14 -3.81 118.95 121.36 2dkr s ARG 87 Ca 0.11 -0.48 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 2dkr s ARG 87 Cb 0.02 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2dkr s ARG 87 CO -0.04 0.67 -0.25 0.45 -0.81 0.00 0.00 175.30 175.31 2dkr s SER 88 N -1.33 3.03 0.14 -2.12 0.15 -1.26 -4.29 113.70 108.02 2dkr s SER 88 Ca 0.18 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2dkr s SER 88 Cb -0.12 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 2dkr s SER 88 CO 0.08 0.26 0.22 -0.83 1.20 0.00 0.00 173.24 174.18 2dkr s GLY 89 N -0.27 1.77 -0.43 9.45 0.00 -1.26 -5.04 107.32 111.52 2dkr s GLY 89 Ca -0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 44.72 43.37 2dkr s GLY 89 CO 0.02 -1.07 1.75 2.56 0.00 0.00 0.00 173.10 176.37 2dkr s PRO 90 N -3.09 3.15 0.23 2.90 0.04 -1.26 -4.93 135.00 132.04 2dkr s PRO 90 Ca 0.33 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 2dkr s PRO 90 Cb -0.11 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.24 2dkr s PRO 90 CO 0.27 -2.09 0.79 0.45 0.04 0.00 0.00 177.00 176.45 2dkr s SER 91 N 6.36 -0.26 0.73 6.66 0.15 -1.26 -5.17 113.70 120.92 2dkr s SER 91 Ca 0.72 -0.50 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 2dkr s SER 91 Cb -0.18 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2dkr s SER 91 CO 0.29 -1.18 1.09 -0.55 1.20 0.00 0.00 173.24 174.09 2dkr s SER 92 N -2.91 5.16 0.00 5.45 0.15 -1.26 -5.28 113.70 115.01 2dkr s SER 92 Ca 0.11 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2dkr s SER 92 Cb -0.04 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2dkr s SER 92 CO 0.04 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 173.55