#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk2 s SER 2 N 0.00 4.90 -1.00 1.61 0.01 -1.26 -4.69 113.70 113.27 2dk2 s SER 2 Ca 0.00 -0.75 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 2dk2 s SER 2 Cb 0.00 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 2dk2 s SER 2 CO 0.00 -0.17 0.80 -0.24 0.41 0.00 0.00 173.24 174.04 2dk2 n SER 3 N 4.81 -6.25 -2.90 2.44 2.88 -1.26 -4.96 113.62 108.38 2dk2 n SER 3 Ca -0.15 -0.72 -0.21 0.00 -1.33 0.00 0.00 58.87 56.46 2dk2 n SER 3 Cb 0.48 -4.24 -0.02 0.00 -0.75 0.00 0.00 64.21 59.68 2dk2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk2 n GLY 4 N -1.55 4.37 0.20 0.46 0.00 -1.26 -4.79 105.19 102.61 2dk2 n GLY 4 Ca -0.08 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2dk2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk2 n SER 5 N -0.08 0.00 -4.16 1.61 2.88 -1.26 -4.94 113.62 107.67 2dk2 n SER 5 Ca 0.27 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 2dk2 n SER 5 Cb 0.59 0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 2dk2 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk2 s SER 6 N -1.24 1.43 0.00 -3.46 0.15 -1.26 -5.10 113.70 104.22 2dk2 s SER 6 Ca 0.00 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2dk2 s SER 6 Cb 0.00 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dk2 s SER 6 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dk2 n GLY 7 N 0.82 0.13 3.88 9.45 0.00 -1.26 -4.92 105.19 113.29 2dk2 n GLY 7 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2dk2 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk2 s ASP 8 N 1.00 6.40 0.29 1.61 1.11 -1.26 -4.99 116.67 120.83 2dk2 s ASP 8 Ca 0.00 1.14 0.08 0.00 0.18 0.00 0.00 52.55 53.95 2dk2 s ASP 8 Cb 0.00 -2.33 0.45 0.00 1.07 0.00 0.00 42.92 42.10 2dk2 s ASP 8 CO 0.00 -0.54 1.68 1.55 1.18 0.00 0.00 175.17 179.04 2dk2 h PRO 9 N 0.65 0.16 0.00 8.23 0.13 -2.01 -2.91 132.00 136.24 2dk2 h PRO 9 Ca -0.47 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 2dk2 h PRO 9 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2dk2 h PRO 9 CO 0.63 0.60 -0.37 0.93 -0.23 0.00 0.00 178.00 179.56 2dk2 h GLU 10 N 0.13 0.00 -0.74 0.86 5.08 -1.98 -2.05 114.58 115.89 2dk2 h GLU 10 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2dk2 h GLU 10 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2dk2 h GLU 10 CO 0.07 0.37 0.35 0.28 -1.00 0.00 0.00 179.01 179.08 2dk2 h VAL 11 N 0.00 1.24 0.20 3.13 2.07 -1.91 -1.11 116.25 119.86 2dk2 h VAL 11 Ca -0.00 -0.68 -0.33 0.00 0.82 0.00 0.00 66.70 66.51 2dk2 h VAL 11 Cb 0.77 0.30 0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2dk2 h VAL 11 CO 0.05 0.29 -1.57 0.24 0.02 0.00 0.00 177.57 176.60 2dk2 h MET 12 N 1.06 0.42 0.00 1.57 2.86 -1.61 -3.29 114.93 115.94 2dk2 h MET 12 Ca 0.26 -0.73 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 2dk2 h MET 12 Cb 0.12 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2dk2 h MET 12 CO -0.03 1.33 -0.07 0.00 1.06 0.00 0.00 176.91 179.20 2dk2 h ALA 13 N 0.23 1.42 0.00 6.32 0.00 -1.23 -1.80 119.26 124.20 2dk2 h ALA 13 Ca -0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2dk2 h ALA 13 Cb 2.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 2dk2 h ALA 13 CO 0.22 0.09 -0.01 -0.22 0.00 0.00 0.00 179.25 179.33 2dk2 h LYS 14 N 0.00 0.00 -6.23 0.00 1.63 -1.27 -3.41 116.57 107.29 2dk2 h LYS 14 Ca -0.00 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.24 2dk2 h LYS 14 Cb 0.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 2dk2 h LYS 14 CO 0.01 0.01 0.42 0.08 -3.45 0.00 0.00 179.45 176.52 2dk2 s VAL 15 N -4.83 4.86 -0.06 2.00 1.01 -0.68 -4.92 120.40 117.79 2dk2 s VAL 15 Ca -0.05 1.91 0.15 0.00 0.00 0.00 0.00 61.98 64.00 2dk2 s VAL 15 Cb 0.16 -4.26 0.29 0.00 0.00 0.00 0.00 36.38 32.58 2dk2 s VAL 15 CO 0.61 0.09 1.13 2.29 0.00 0.00 0.00 175.10 179.22 2dk2 n LYS 16 N 4.55 0.47 -3.80 2.72 2.85 -1.26 -4.91 118.16 118.77 2dk2 n LYS 16 Ca 0.06 -2.05 -0.19 0.00 -1.05 0.00 0.00 58.31 55.08 2dk2 n LYS 16 Cb 0.50 -0.64 -0.17 0.00 -0.65 0.00 0.00 35.03 34.07 2dk2 n LYS 16 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dk2 s VAL 17 N -0.99 0.13 0.04 0.58 1.01 -1.26 -4.51 120.40 115.40 2dk2 s VAL 17 Ca 0.25 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 2dk2 s VAL 17 Cb 0.26 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.29 2dk2 s VAL 17 CO -0.08 0.18 0.50 -0.76 0.00 0.00 0.00 175.10 174.94 2dk2 s LEU 18 N 1.60 4.51 -0.51 3.92 1.43 -1.26 -2.95 118.68 125.42 2dk2 s LEU 18 Ca -0.02 1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 54.14 2dk2 s LEU 18 Cb -0.13 -2.76 0.13 0.00 0.03 0.00 0.00 46.19 43.46 2dk2 s LEU 18 CO -0.03 0.30 0.37 0.12 0.23 0.00 0.00 176.35 177.33 2dk2 s PHE 19 N -1.08 3.48 -0.43 0.29 5.36 -0.50 -4.29 117.98 120.81 2dk2 s PHE 19 Ca 0.27 -2.13 -0.23 0.00 -0.96 0.00 0.00 56.93 53.88 2dk2 s PHE 19 Cb -0.18 -3.42 0.02 0.00 -0.34 0.00 0.00 43.02 39.09 2dk2 s PHE 19 CO 0.17 -0.97 0.76 0.08 -1.46 0.00 0.00 175.22 173.80 2dk2 s VAL 20 N 1.00 4.69 0.38 3.12 1.01 -1.24 -1.60 120.40 127.76 2dk2 s VAL 20 Ca 0.09 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2dk2 s VAL 20 Cb -0.23 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 2dk2 s VAL 20 CO -0.02 -0.64 0.43 -0.60 0.00 0.00 0.00 175.10 174.26 2dk2 s ARG 21 N 3.19 2.78 -0.56 2.72 3.52 0.03 -1.01 118.95 129.63 2dk2 s ARG 21 Ca 0.29 -1.29 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 2dk2 s ARG 21 Cb -0.13 -2.60 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2dk2 s ARG 21 CO 0.21 -0.09 0.64 0.09 -0.81 0.00 0.00 175.30 175.34 2dk2 n ASN 22 N -1.60 -7.33 -4.93 -2.12 4.13 -1.10 -0.88 115.26 101.42 2dk2 n ASN 22 Ca 0.03 0.14 -0.22 0.00 1.68 0.00 0.00 54.58 56.21 2dk2 n ASN 22 Cb 0.60 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.27 2dk2 n ASN 22 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dk2 s LEU 23 N -3.19 3.08 0.08 3.41 1.02 0.20 -3.89 118.68 119.39 2dk2 s LEU 23 Ca 0.17 -0.94 -0.06 0.00 0.02 0.00 0.00 54.13 53.32 2dk2 s LEU 23 Cb -0.04 -1.66 -0.05 0.00 0.02 0.00 0.00 46.19 44.46 2dk2 s LEU 23 CO 0.79 -0.99 0.33 0.00 0.02 0.00 0.00 176.35 176.49 2dk2 s ALA 24 N -2.63 3.82 -0.15 4.21 0.00 -1.26 -5.00 121.76 120.75 2dk2 s ALA 24 Ca 0.46 -0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.02 2dk2 s ALA 24 Cb -0.04 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 2dk2 s ALA 24 CO 0.28 0.66 1.12 1.15 0.00 0.00 0.00 175.76 178.98 2dk2 h THR 25 N 2.51 0.61 0.00 0.00 2.02 -1.99 -3.32 112.91 112.74 2dk2 h THR 25 Ca -0.48 -1.99 -0.20 0.00 0.77 0.00 0.00 66.41 64.51 2dk2 h THR 25 Cb 1.18 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 2dk2 h THR 25 CO 0.70 0.34 -0.96 0.71 0.37 0.00 0.00 175.52 176.68 2dk2 h THR 26 N 0.00 1.69 -4.19 3.16 1.35 -1.99 -3.46 112.91 109.47 2dk2 h THR 26 Ca -0.08 -3.30 -0.50 0.00 -0.55 0.00 0.00 66.41 61.98 2dk2 h THR 26 Cb 1.44 2.78 0.15 0.00 -1.73 0.00 0.00 68.15 70.79 2dk2 h THR 26 CO 0.05 0.94 0.27 0.68 -0.25 0.00 0.00 175.52 177.21 2dk2 s VAL 27 N -2.80 2.88 0.21 6.82 -7.23 -1.25 -5.07 120.40 113.95 2dk2 s VAL 27 Ca 0.01 0.28 0.05 0.00 -1.81 0.00 0.00 61.98 60.51 2dk2 s VAL 27 Cb 0.10 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 2dk2 s VAL 27 CO 0.81 -0.37 -0.05 0.28 -0.31 0.00 0.00 175.10 175.46 2dk2 s THR 28 N -2.86 1.20 0.58 5.32 -1.32 -1.26 -4.98 115.64 112.32 2dk2 s THR 28 Ca 0.63 -2.07 0.28 0.00 -1.21 0.00 0.00 61.69 59.32 2dk2 s THR 28 Cb -0.19 -2.16 0.36 0.00 -1.51 0.00 0.00 72.50 69.00 2dk2 s THR 28 CO 0.57 -0.49 2.08 -0.33 -2.21 0.00 0.00 174.62 174.24 2dk2 h GLU 29 N 2.56 0.00 0.00 7.08 5.08 -1.98 0.12 114.58 127.44 2dk2 h GLU 29 Ca -0.38 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 2dk2 h GLU 29 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2dk2 h GLU 29 CO 0.64 0.00 -0.31 1.49 -1.00 0.00 0.00 179.01 179.83 2dk2 h GLU 30 N 0.00 0.00 0.00 2.33 4.81 -2.00 -2.11 114.58 117.62 2dk2 h GLU 30 Ca 0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2dk2 h GLU 30 Cb 0.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2dk2 h GLU 30 CO -0.00 0.31 -0.38 0.82 -0.73 0.00 0.00 179.01 179.04 2dk2 h ILE 31 N 0.00 1.20 -0.90 2.32 2.04 -1.18 -3.23 117.51 117.75 2dk2 h ILE 31 Ca -0.00 -2.03 0.15 0.00 1.00 0.00 0.00 64.86 63.98 2dk2 h ILE 31 Cb 0.58 2.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.96 2dk2 h ILE 31 CO 0.04 0.41 0.49 -0.07 0.00 0.00 0.00 178.15 179.02 2dk2 h LEU 32 N -1.00 0.63 -0.81 1.44 3.38 -1.47 0.17 115.31 117.65 2dk2 h LEU 32 Ca -0.09 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dk2 h LEU 32 Cb 0.91 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2dk2 h LEU 32 CO -0.06 0.26 0.46 -0.33 0.09 0.00 0.00 178.44 178.87 2dk2 h GLU 33 N 0.69 1.12 0.00 1.13 5.08 -1.52 -1.95 114.58 119.13 2dk2 h GLU 33 Ca 0.49 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 2dk2 h GLU 33 Cb 0.68 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dk2 h GLU 33 CO -0.35 0.81 -0.41 0.87 -1.00 0.00 0.00 179.01 178.92 2dk2 h LYS 34 N 1.12 0.00 -0.31 2.33 6.56 -1.05 0.23 116.57 125.46 2dk2 h LYS 34 Ca 0.29 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.76 2dk2 h LYS 34 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2dk2 h LYS 34 CO -0.05 0.41 -0.31 0.77 -2.06 0.00 0.00 179.45 178.22 2dk2 h SER 35 N 0.00 0.67 0.28 0.86 0.02 -0.02 -3.16 113.55 112.21 2dk2 h SER 35 Ca -0.00 -0.26 -0.32 0.00 -0.84 0.00 0.00 61.79 60.36 2dk2 h SER 35 Cb 1.00 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 2dk2 h SER 35 CO 0.05 0.94 -2.00 0.49 -1.14 0.00 0.00 176.83 175.17 2dk2 n PHE 36 N -4.08 0.55 0.13 3.45 3.72 -0.92 -4.13 117.46 116.19 2dk2 n PHE 36 Ca -0.01 0.20 0.18 0.00 -0.05 0.00 0.00 57.45 57.78 2dk2 n PHE 36 Cb 0.47 -1.10 0.77 0.00 -0.94 0.00 0.00 39.48 38.68 2dk2 n PHE 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dk2 h SER 37 N 0.00 0.00 0.46 4.37 0.87 -0.55 0.25 113.55 118.95 2dk2 h SER 37 Ca -0.39 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 2dk2 h SER 37 Cb 2.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.05 2dk2 h SER 37 CO 0.06 0.00 -0.21 1.05 -0.53 0.00 0.00 176.83 177.19 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 4.11 -1.70 -3.18 114.58 116.04 2dk2 h GLU 38 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.48 2dk2 h GLU 38 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2dk2 h GLU 38 CO -0.00 0.21 -0.57 0.74 0.07 0.00 0.00 179.01 179.46 2dk2 h PHE 39 N 0.00 0.00 -2.82 2.06 -1.00 -0.76 -3.50 116.94 110.93 2dk2 h PHE 39 Ca -0.00 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 2dk2 h PHE 39 Cb 0.50 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 2dk2 h PHE 39 CO 0.00 1.11 0.33 0.20 -1.61 0.00 0.00 178.31 178.34 2dk2 s GLY 40 N -4.46 0.00 -0.25 -1.45 0.00 -1.02 -5.02 107.32 95.11 2dk2 s GLY 40 Ca -0.22 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 2dk2 s GLY 40 CO 0.59 0.09 1.88 1.25 0.00 0.00 0.00 173.10 176.90 2dk2 s LYS 41 N -3.25 3.44 1.16 2.90 2.36 -1.26 -4.14 119.74 120.95 2dk2 s LYS 41 Ca 0.13 1.71 -0.20 0.00 -2.55 0.00 0.00 55.97 55.07 2dk2 s LYS 41 Cb -0.04 -4.20 0.29 0.00 -1.05 0.00 0.00 37.83 32.82 2dk2 s LYS 41 CO 0.07 -1.73 1.00 1.28 1.55 0.00 0.00 175.35 177.52 2dk2 n LEU 42 N 10.04 0.00 0.00 5.43 4.77 -1.26 -3.22 117.00 132.75 2dk2 n LEU 42 Ca 0.24 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2dk2 n LEU 42 Cb 0.46 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2dk2 n LEU 42 CO 0.67 -2.14 -0.31 1.21 -1.33 0.00 0.00 177.39 175.49 2dk2 n GLU 43 N -4.69 0.00 -3.65 3.23 2.13 0.85 -4.52 120.64 113.99 2dk2 n GLU 43 Ca 0.14 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.96 2dk2 n GLU 43 Cb 0.55 -0.49 -0.07 0.00 0.27 0.00 0.00 31.44 31.70 2dk2 n GLU 43 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2dk2 s ARG 44 N -1.86 0.03 0.07 5.31 6.06 -1.23 -4.93 118.95 122.40 2dk2 s ARG 44 Ca 0.00 0.04 0.09 0.00 -2.50 0.00 0.00 55.73 53.36 2dk2 s ARG 44 Cb 0.00 0.01 -0.03 0.00 0.06 0.00 0.00 34.95 34.99 2dk2 s ARG 44 CO 0.00 -0.00 -0.25 0.08 -2.50 0.00 0.00 175.30 172.63 2dk2 s VAL 45 N 0.42 2.02 -0.03 7.11 1.01 -1.26 -0.64 120.40 129.02 2dk2 s VAL 45 Ca 0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.52 2dk2 s VAL 45 Cb -0.04 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.60 2dk2 s VAL 45 CO -0.14 0.22 0.08 -0.75 0.00 0.00 0.00 175.10 174.52 2dk2 s LYS 46 N -1.49 0.07 -0.63 2.72 2.47 -0.30 -4.98 119.74 117.60 2dk2 s LYS 46 Ca 0.11 0.17 -0.22 0.00 -1.56 0.00 0.00 55.97 54.47 2dk2 s LYS 46 Cb -0.10 -0.05 0.07 0.00 -1.46 0.00 0.00 37.83 36.29 2dk2 s LYS 46 CO 0.03 -0.07 0.90 0.21 0.16 0.00 0.00 175.35 176.58 2dk2 s LYS 47 N 0.44 3.12 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.69 2dk2 s LYS 47 Ca -0.03 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.73 2dk2 s LYS 47 Cb -0.05 -4.21 0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2dk2 s LYS 47 CO -0.02 -1.70 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.70 2dk2 s LEU 48 N 3.73 2.63 0.00 5.43 2.01 -1.14 -5.03 118.68 126.32 2dk2 s LEU 48 Ca 0.21 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.18 2dk2 s LEU 48 Cb -0.18 -1.22 0.00 0.00 0.01 0.00 0.00 46.19 44.80 2dk2 s LEU 48 CO 0.11 -0.22 0.00 1.17 1.01 0.00 0.00 176.35 178.41 2dk2 n LYS 49 N 4.65 0.00 0.20 1.70 4.81 -1.26 -2.88 118.16 125.38 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.45 2dk2 n LYS 49 Cb 0.44 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.21 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2dk2 h ASP 50 N 0.00 0.00 -4.92 3.14 5.19 -1.95 -3.43 116.42 114.45 2dk2 h ASP 50 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2dk2 h ASP 50 CO 0.00 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.02 2dk2 n TYR 51 N -2.46 -1.60 -3.91 4.55 0.18 -1.14 -0.63 117.16 112.14 2dk2 n TYR 51 Ca -0.01 -1.15 -0.09 0.00 1.88 0.00 0.00 57.90 58.53 2dk2 n TYR 51 Cb 0.07 -0.25 -0.08 0.00 -0.38 0.00 0.00 39.34 38.70 2dk2 n TYR 51 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dk2 s ALA 52 N -2.39 -0.06 -0.29 -3.48 0.00 -0.18 -2.86 121.76 112.51 2dk2 s ALA 52 Ca 0.21 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2dk2 s ALA 52 Cb -0.02 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.58 2dk2 s ALA 52 CO 0.14 -0.45 -0.05 -0.06 0.00 0.00 0.00 175.76 175.33 2dk2 s PHE 53 N -3.70 3.41 -0.02 0.00 0.08 -0.46 -3.66 117.98 113.63 2dk2 s PHE 53 Ca 0.04 -2.47 0.05 0.00 0.12 0.00 0.00 56.93 54.67 2dk2 s PHE 53 Cb 0.05 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2dk2 s PHE 53 CO -0.10 -0.89 -0.17 0.08 -0.10 0.00 0.00 175.22 174.04 2dk2 s VAL 54 N 1.06 2.83 0.11 -0.44 1.01 -1.26 -1.15 120.40 122.56 2dk2 s VAL 54 Ca -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2dk2 s VAL 54 Cb -0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2dk2 s VAL 54 CO -0.05 0.51 -0.10 -1.00 0.00 0.00 0.00 175.10 174.46 2dk2 s HIS 55 N -0.77 2.73 0.15 5.22 3.76 0.18 -4.18 115.29 122.38 2dk2 s HIS 55 Ca 0.12 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 2dk2 s HIS 55 Cb -0.10 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 2dk2 s HIS 55 CO 0.02 0.43 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.09 2dk2 s PHE 56 N -1.25 1.84 0.58 1.40 0.40 -1.26 -0.11 117.98 119.58 2dk2 s PHE 56 Ca 0.22 -0.45 0.28 0.00 -0.60 0.00 0.00 56.93 56.38 2dk2 s PHE 56 Cb -0.11 -0.94 1.58 0.00 0.51 0.00 0.00 43.02 44.06 2dk2 s PHE 56 CO 0.14 0.30 2.04 1.05 0.70 0.00 0.00 175.22 179.45 2dk2 h GLU 57 N 3.48 0.00 0.00 0.44 4.11 -1.78 -3.45 114.58 117.38 2dk2 h GLU 57 Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 2dk2 h GLU 57 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2dk2 h GLU 57 CO 0.48 0.00 0.11 -3.47 0.07 0.00 0.00 179.01 176.19 2dk2 n ASP 58 N -3.84 -0.78 0.10 3.06 -0.08 -1.26 -5.05 116.55 108.69 2dk2 n ASP 58 Ca 0.04 -1.53 -0.16 0.00 -1.51 0.00 0.00 54.79 51.63 2dk2 n ASP 58 Cb 0.43 1.30 -0.14 0.00 2.34 0.00 0.00 41.12 45.05 2dk2 n ASP 58 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dk2 h ARG 59 N 0.00 0.26 0.00 -0.67 2.43 -1.90 -3.23 114.38 111.27 2dk2 h ARG 59 Ca -0.11 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2dk2 h ARG 59 Cb 0.43 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2dk2 h ARG 59 CO 0.15 1.19 -0.05 0.78 -1.51 0.00 0.00 179.97 180.53 2dk2 h GLY 60 N 1.68 0.00 1.45 2.80 0.00 -1.97 0.52 103.07 107.55 2dk2 h GLY 60 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2dk2 h GLY 60 CO 0.19 0.00 -0.98 0.00 0.00 0.00 0.00 176.54 175.75 2dk2 h ALA 61 N 1.95 0.65 0.09 3.60 0.00 -1.97 -3.07 119.26 120.51 2dk2 h ALA 61 Ca -0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.08 2dk2 h ALA 61 Cb 0.13 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dk2 h ALA 61 CO 0.01 0.75 -0.99 0.00 0.00 0.00 0.00 179.25 179.02 2dk2 h ALA 62 N 1.48 0.08 0.45 0.00 0.00 -1.30 -3.21 119.26 116.75 2dk2 h ALA 62 Ca -0.08 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 2dk2 h ALA 62 Cb 1.47 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2dk2 h ALA 62 CO 0.05 0.55 -0.22 0.28 0.00 0.00 0.00 179.25 179.91 2dk2 h VAL 63 N -0.52 0.54 -0.61 0.00 2.07 -1.09 0.57 116.25 117.20 2dk2 h VAL 63 Ca -0.21 -0.27 0.18 0.00 0.82 0.00 0.00 66.70 67.21 2dk2 h VAL 63 Cb 1.55 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2dk2 h VAL 63 CO 0.04 0.05 0.46 0.50 0.02 0.00 0.00 177.57 178.64 2dk2 h LYS 64 N -0.77 0.00 0.06 1.57 3.11 -1.72 0.24 116.57 119.06 2dk2 h LYS 64 Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2dk2 h LYS 64 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 2dk2 h LYS 64 CO 0.10 0.00 -0.03 0.00 -2.81 0.00 0.00 179.45 176.71 2dk2 h ALA 65 N 1.66 -0.08 -0.25 5.00 0.00 -1.48 -3.32 119.26 120.78 2dk2 h ALA 65 Ca 0.29 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2dk2 h ALA 65 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2dk2 h ALA 65 CO -0.00 -0.08 0.26 1.98 0.00 0.00 0.00 179.25 181.41 2dk2 h MET 66 N -0.95 0.00 -0.27 0.00 1.85 -0.54 0.14 114.93 115.15 2dk2 h MET 66 Ca -0.01 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 2dk2 h MET 66 Cb 0.06 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 2dk2 h MET 66 CO 0.01 0.00 0.11 -0.44 -0.40 0.00 0.00 176.91 176.19 2dk2 h ASP 67 N 0.00 0.14 0.05 1.39 3.32 -0.63 -0.26 116.42 120.43 2dk2 h ASP 67 Ca 0.12 0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.95 2dk2 h ASP 67 Cb 0.64 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2dk2 h ASP 67 CO -0.00 0.12 -1.29 -0.33 -1.72 0.00 0.00 179.24 176.02 2dk2 h GLU 68 N 0.24 0.11 -0.83 3.56 4.39 -1.38 -3.35 114.58 117.32 2dk2 h GLU 68 Ca 0.11 -0.18 0.22 0.00 0.34 0.00 0.00 59.36 59.85 2dk2 h GLU 68 Cb 0.06 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2dk2 h GLU 68 CO -0.10 1.09 0.58 0.52 -1.16 0.00 0.00 179.01 179.94 2dk2 h MET 69 N -0.65 0.13 -5.56 2.33 2.86 -0.82 -3.40 114.93 109.81 2dk2 h MET 69 Ca -0.31 -0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 56.82 2dk2 h MET 69 Cb 1.51 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.13 2dk2 h MET 69 CO -0.07 0.08 1.63 -1.71 1.06 0.00 0.00 176.91 177.90 2dk2 n ASN 70 N -4.37 1.98 -0.42 1.22 2.85 -0.11 -1.91 115.26 114.51 2dk2 n ASN 70 Ca 0.17 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2dk2 n ASN 70 Cb 0.81 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.41 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dk2 n GLY 71 N 6.15 0.49 3.76 8.20 0.00 -1.26 -5.02 105.19 117.50 2dk2 n GLY 71 Ca 0.43 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2dk2 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk2 s LYS 72 N -1.09 2.18 -0.15 1.61 -0.14 -0.80 -5.07 119.74 116.26 2dk2 s LYS 72 Ca 0.00 -2.08 0.02 0.00 -1.36 0.00 0.00 55.97 52.55 2dk2 s LYS 72 Cb 0.00 -1.82 0.01 0.00 -1.68 0.00 0.00 37.83 34.35 2dk2 s LYS 72 CO 0.00 -0.27 -0.21 -2.00 -0.76 0.00 0.00 175.35 172.11 2dk2 s GLU 73 N -3.93 2.98 -0.13 1.68 2.12 -1.26 -3.47 118.70 116.68 2dk2 s GLU 73 Ca 0.29 -0.83 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 2dk2 s GLU 73 Cb 0.03 -2.47 0.03 0.00 0.26 0.00 0.00 34.13 31.98 2dk2 s GLU 73 CO 0.16 -0.09 -0.10 0.42 -0.54 0.00 0.00 175.26 175.11 2dk2 s ILE 74 N 1.00 1.27 -1.76 -3.70 1.01 -1.14 -4.73 121.20 113.15 2dk2 s ILE 74 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2dk2 s ILE 74 Cb -0.15 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.08 2dk2 s ILE 74 CO -0.06 0.39 0.00 1.21 0.00 0.00 0.00 174.94 176.48 2dk2 n GLU 75 N 4.86 -1.69 -1.52 2.79 4.07 -1.26 -0.84 120.64 127.05 2dk2 n GLU 75 Ca -0.14 0.99 -0.09 0.00 -0.06 0.00 0.00 57.16 57.86 2dk2 n GLU 75 Cb 0.50 -5.58 -0.03 0.00 -0.06 0.00 0.00 31.44 26.27 2dk2 n GLU 75 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk2 n GLY 76 N -0.84 0.75 3.19 8.31 0.00 -1.26 -5.01 105.19 110.32 2dk2 n GLY 76 Ca -0.22 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2dk2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk2 s GLU 77 N -3.23 2.91 -0.47 1.61 0.41 -0.02 -5.07 118.70 114.84 2dk2 s GLU 77 Ca 0.00 -0.83 -0.27 0.00 -0.41 0.00 0.00 54.97 53.46 2dk2 s GLU 77 Cb 0.00 -2.25 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 2dk2 s GLU 77 CO 0.00 0.11 2.13 -1.21 -0.49 0.00 0.00 175.26 175.80 2dk2 s GLU 78 N 0.50 2.57 0.14 1.61 2.02 -1.26 -2.86 118.70 121.42 2dk2 s GLU 78 Ca -0.15 1.24 -0.22 0.00 0.02 0.00 0.00 54.97 55.86 2dk2 s GLU 78 Cb -0.17 -4.44 -0.08 0.00 0.10 0.00 0.00 34.13 29.54 2dk2 s GLU 78 CO 0.06 -2.76 0.69 0.96 0.02 0.00 0.00 175.26 174.23 2dk2 s ILE 79 N 9.98 4.55 0.15 -1.63 -4.36 -1.23 -4.79 121.20 123.87 2dk2 s ILE 79 Ca 0.86 1.43 0.09 0.00 -0.26 0.00 0.00 60.65 62.76 2dk2 s ILE 79 Cb -0.18 -3.99 -0.04 0.00 1.25 0.00 0.00 42.46 39.49 2dk2 s ILE 79 CO 0.27 0.46 -0.13 -0.70 0.24 0.00 0.00 174.94 175.08 2dk2 s GLU 80 N -1.32 1.95 -0.03 0.37 2.12 -0.06 -4.37 118.70 117.36 2dk2 s GLU 80 Ca 0.35 -1.22 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 2dk2 s GLU 80 Cb -0.20 -2.15 0.01 0.00 0.26 0.00 0.00 34.13 32.05 2dk2 s GLU 80 CO 0.23 0.46 0.09 0.42 -0.54 0.00 0.00 175.26 175.91 2dk2 s ILE 81 N -1.45 -0.01 0.00 -3.70 1.01 -1.26 -0.79 121.20 115.00 2dk2 s ILE 81 Ca 0.22 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 2dk2 s ILE 81 Cb -0.10 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.26 2dk2 s ILE 81 CO 0.13 0.02 0.29 0.68 0.00 0.00 0.00 174.94 176.06 2dk2 s VAL 82 N 0.28 0.07 -0.29 2.92 -7.23 -0.63 -4.98 120.40 110.54 2dk2 s VAL 82 Ca -0.02 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 2dk2 s VAL 82 Cb -0.03 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 2dk2 s VAL 82 CO -0.01 -0.31 1.61 -0.76 -0.31 0.00 0.00 175.10 175.32 2dk2 s LEU 83 N -1.56 3.72 -0.40 1.32 1.43 -1.26 -1.41 118.68 120.52 2dk2 s LEU 83 Ca -0.11 1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 54.07 2dk2 s LEU 83 Cb -0.04 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.64 2dk2 s LEU 83 CO 0.02 -1.41 1.61 0.00 0.23 0.00 0.00 176.35 176.79 2dk2 s ALA 84 N 5.69 2.89 0.46 4.21 0.00 -1.15 -4.90 121.76 128.96 2dk2 s ALA 84 Ca 0.71 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 2dk2 s ALA 84 Cb -0.22 -4.01 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 2dk2 s ALA 84 CO 0.31 -2.64 0.98 -1.59 0.00 0.00 0.00 175.76 172.81 2dk2 s LYS 85 N 5.43 4.06 0.96 0.00 0.00 -1.26 -4.71 119.74 124.22 2dk2 s LYS 85 Ca 0.69 1.12 -0.12 0.00 0.00 0.00 0.00 55.97 57.66 2dk2 s LYS 85 Cb -0.17 -2.15 0.17 0.00 0.00 0.00 0.00 37.83 35.68 2dk2 s LYS 85 CO 0.32 -0.18 1.09 -1.25 0.00 0.00 0.00 175.35 175.33 2dk2 s PRO 86 N -3.43 0.75 1.19 1.78 0.04 -1.26 -5.05 135.00 129.02 2dk2 s PRO 86 Ca 0.62 0.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 2dk2 s PRO 86 Cb -0.11 -1.76 0.30 0.00 0.04 0.00 0.00 34.50 32.97 2dk2 s PRO 86 CO 0.19 -2.54 1.06 -0.35 0.04 0.00 0.00 177.00 175.39 2dk2 n PRO 87 N -4.06 -3.09 -3.64 0.56 -0.04 -1.26 -5.10 135.00 118.37 2dk2 n PRO 87 Ca 0.06 -1.69 -0.04 0.00 -0.04 0.00 0.00 63.50 61.79 2dk2 n PRO 87 Cb 0.56 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2dk2 n PRO 87 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dk2 s ASP 88 N -4.35 -0.10 -0.40 3.54 -1.08 -1.26 -5.13 116.67 107.89 2dk2 s ASP 88 Ca 0.69 0.16 -0.16 0.00 -0.52 0.00 0.00 52.55 52.71 2dk2 s ASP 88 Cb -0.07 0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.55 2dk2 s ASP 88 CO 0.53 -0.07 0.38 -0.75 0.52 0.00 0.00 175.17 175.78 2dk2 s LYS 89 N -0.51 3.20 0.22 4.34 2.36 -1.26 -5.07 119.74 123.02 2dk2 s LYS 89 Ca 0.07 -0.73 0.09 0.00 -2.55 0.00 0.00 55.97 52.85 2dk2 s LYS 89 Cb -0.03 -3.92 -0.04 0.00 -1.05 0.00 0.00 37.83 32.79 2dk2 s LYS 89 CO -0.10 -0.73 -0.04 -1.59 1.55 0.00 0.00 175.35 174.43 2dk2 s LYS 90 N 1.99 2.20 0.32 4.03 -2.85 -1.26 -5.09 119.74 119.08 2dk2 s LYS 90 Ca 0.10 -1.33 -0.29 0.00 -1.00 0.00 0.00 55.97 53.45 2dk2 s LYS 90 Cb -0.17 -2.18 -0.12 0.00 -2.06 0.00 0.00 37.83 33.30 2dk2 s LYS 90 CO 0.12 0.40 1.40 2.89 0.10 0.00 0.00 175.35 180.27 2dk2 n ARG 91 N -0.42 2.30 -4.08 1.78 1.85 -1.26 -4.99 116.66 111.84 2dk2 n ARG 91 Ca -0.08 0.81 -0.35 0.00 -1.00 0.00 0.00 57.85 57.23 2dk2 n ARG 91 Cb 0.57 -2.47 -0.07 0.00 -1.05 0.00 0.00 32.46 29.44 2dk2 n ARG 91 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2dk2 s SER 92 N -0.00 5.84 0.91 2.89 0.01 -1.26 -5.12 113.70 116.97 2dk2 s SER 92 Ca 0.59 0.25 -0.09 0.00 1.31 0.00 0.00 55.95 58.02 2dk2 s SER 92 Cb -0.56 -1.75 0.15 0.00 0.21 0.00 0.00 66.02 64.07 2dk2 s SER 92 CO 0.57 0.33 0.90 0.61 0.41 0.00 0.00 173.24 176.07 2dk2 n GLY 93 N 1.59 -0.90 3.77 3.44 0.00 -1.26 -5.05 105.19 106.78 2dk2 n GLY 93 Ca -0.16 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 2dk2 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk2 s PRO 94 N -4.92 2.72 0.31 1.61 0.04 -1.26 -5.07 135.00 128.43 2dk2 s PRO 94 Ca 0.53 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.98 2dk2 s PRO 94 Cb -0.02 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2dk2 s PRO 94 CO 0.37 -1.31 -0.02 -1.12 0.04 0.00 0.00 177.00 174.96 2dk2 s SER 95 N -2.71 2.83 0.23 6.66 0.01 -1.26 -5.16 113.70 114.31 2dk2 s SER 95 Ca 0.66 -1.27 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2dk2 s SER 95 Cb -0.20 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2dk2 s SER 95 CO 0.44 -0.43 0.40 -0.55 0.41 0.00 0.00 173.24 173.51 2dk2 s SER 96 N -3.50 6.34 0.00 2.44 0.15 -1.26 -5.35 113.70 112.52 2dk2 s SER 96 Ca 0.32 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dk2 s SER 96 Cb 0.06 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2dk2 s SER 96 CO 0.14 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.10