#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk2 n SER 2 N 0.00 0.00 -0.05 1.61 3.41 -1.26 -4.97 113.62 112.36 2dk2 n SER 2 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2dk2 n SER 2 Cb 0.00 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 2dk2 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dk2 n SER 3 N -2.09 2.07 0.00 4.04 7.64 -1.26 -5.14 113.62 118.88 2dk2 n SER 3 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dk2 n SER 3 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2dk2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk2 n GLY 4 N 2.67 2.80 3.84 0.23 0.00 -1.26 -5.02 105.19 108.44 2dk2 n GLY 4 Ca -0.20 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 2dk2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk2 s SER 5 N 0.00 6.65 -0.71 1.61 1.04 -1.26 -4.55 113.70 116.48 2dk2 s SER 5 Ca 0.00 0.77 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 2dk2 s SER 5 Cb 0.00 -2.19 0.01 0.00 0.10 0.00 0.00 66.02 63.94 2dk2 s SER 5 CO 0.00 0.32 0.66 -1.20 0.98 0.00 0.00 173.24 174.00 2dk2 n SER 6 N 2.07 -6.97 0.00 7.02 7.64 -1.26 -5.00 113.62 117.13 2dk2 n SER 6 Ca -0.15 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2dk2 n SER 6 Cb 0.53 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 2dk2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk2 n GLY 7 N -1.47 -0.03 3.90 0.23 0.00 -1.26 -5.17 105.19 101.39 2dk2 n GLY 7 Ca -0.07 0.66 -0.28 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 6.39 0.16 1.61 1.11 -1.26 -4.86 116.67 119.82 2dk2 s ASP 8 Ca 0.00 0.95 -0.09 0.00 0.18 0.00 0.00 52.55 53.59 2dk2 s ASP 8 Cb 0.00 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2dk2 s ASP 8 CO 0.00 -0.44 1.49 1.55 1.18 0.00 0.00 175.17 178.95 2dk2 h PRO 9 N 0.84 0.87 0.00 8.23 0.13 -1.99 -2.75 132.00 137.34 2dk2 h PRO 9 Ca -0.47 -0.46 -0.01 0.00 -0.87 0.00 0.00 66.00 64.18 2dk2 h PRO 9 Cb 1.20 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dk2 h PRO 9 CO 0.63 1.11 -0.06 1.05 -0.23 0.00 0.00 178.00 180.50 2dk2 h GLU 10 N 0.71 0.00 0.15 0.86 4.11 -2.00 -1.82 114.58 116.60 2dk2 h GLU 10 Ca 0.06 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.19 2dk2 h GLU 10 Cb 0.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.24 2dk2 h GLU 10 CO 0.09 0.06 -1.41 0.28 0.07 0.00 0.00 179.01 178.10 2dk2 h VAL 11 N 0.00 1.31 0.00 -1.06 2.07 -1.93 -3.26 116.25 113.38 2dk2 h VAL 11 Ca -0.00 -2.88 -0.07 0.00 0.82 0.00 0.00 66.70 64.57 2dk2 h VAL 11 Cb 0.14 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2dk2 h VAL 11 CO 0.01 0.85 -0.34 0.24 0.02 0.00 0.00 177.57 178.35 2dk2 h MET 12 N 0.09 0.00 0.00 1.57 2.86 -1.10 -2.61 114.93 115.73 2dk2 h MET 12 Ca -0.20 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 2dk2 h MET 12 Cb 2.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 2dk2 h MET 12 CO 0.20 0.34 -0.38 0.00 1.06 0.00 0.00 176.91 178.13 2dk2 h ALA 13 N 1.66 0.91 0.53 6.32 0.00 -1.43 -3.30 119.26 123.96 2dk2 h ALA 13 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2dk2 h ALA 13 Cb 0.72 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2dk2 h ALA 13 CO 0.04 0.47 -0.25 -0.22 0.00 0.00 0.00 179.25 179.29 2dk2 h LYS 14 N 0.00 -0.69 -6.76 0.00 3.11 -1.51 -3.44 116.57 107.29 2dk2 h LYS 14 Ca -0.00 0.05 -0.57 0.00 -2.81 0.00 0.00 60.65 57.31 2dk2 h LYS 14 Cb 0.99 0.16 0.12 0.00 -1.00 0.00 0.00 32.23 32.50 2dk2 h LYS 14 CO 0.05 -0.41 0.40 1.55 -2.81 0.00 0.00 179.45 178.23 2dk2 n VAL 15 N -5.26 2.43 -2.27 2.00 3.14 -1.21 -4.92 118.33 112.24 2dk2 n VAL 15 Ca -0.10 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.79 2dk2 n VAL 15 Cb 0.30 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 2dk2 n VAL 15 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2dk2 n LYS 16 N 0.17 0.00 -4.35 1.45 2.85 -1.26 -4.63 118.16 112.39 2dk2 n LYS 16 Ca 0.07 -1.46 -0.21 0.00 -1.05 0.00 0.00 58.31 55.66 2dk2 n LYS 16 Cb 0.39 -0.06 -0.16 0.00 -0.65 0.00 0.00 35.03 34.55 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 0.00 0.75 -0.20 0.58 1.01 -1.26 -4.13 120.40 117.16 2dk2 s VAL 17 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2dk2 s VAL 17 Cb 0.21 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2dk2 s VAL 17 CO -0.09 0.25 0.03 -0.76 0.00 0.00 0.00 175.10 174.53 2dk2 s LEU 18 N 0.50 3.50 -0.68 3.92 1.43 -1.26 -2.96 118.68 123.14 2dk2 s LEU 18 Ca -0.08 -0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 2dk2 s LEU 18 Cb -0.12 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.32 2dk2 s LEU 18 CO 0.01 0.10 0.85 0.12 0.23 0.00 0.00 176.35 177.66 2dk2 s PHE 19 N 0.77 2.96 -0.40 0.29 5.36 -0.27 -4.26 117.98 122.43 2dk2 s PHE 19 Ca 0.02 -0.97 -0.20 0.00 -0.96 0.00 0.00 56.93 54.82 2dk2 s PHE 19 Cb -0.14 -4.13 0.01 0.00 -0.34 0.00 0.00 43.02 38.43 2dk2 s PHE 19 CO 0.02 -1.41 0.60 0.08 -1.46 0.00 0.00 175.22 173.05 2dk2 s VAL 20 N 2.95 4.90 0.41 3.12 1.01 -1.24 -2.00 120.40 129.55 2dk2 s VAL 20 Ca 0.18 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2dk2 s VAL 20 Cb -0.18 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2dk2 s VAL 20 CO 0.04 -0.46 0.44 -0.60 0.00 0.00 0.00 175.10 174.52 2dk2 s ARG 21 N 2.66 2.65 -0.61 2.72 3.52 -0.60 -1.14 118.95 128.16 2dk2 s ARG 21 Ca 0.21 -1.42 -0.09 0.00 -0.13 0.00 0.00 55.73 54.31 2dk2 s ARG 21 Cb -0.15 -2.52 0.01 0.00 -1.56 0.00 0.00 34.95 30.74 2dk2 s ARG 21 CO 0.17 -0.20 0.65 0.09 -0.81 0.00 0.00 175.30 175.20 2dk2 n ASN 22 N -1.64 -7.48 -4.96 -2.12 3.02 -1.14 -1.45 115.26 99.49 2dk2 n ASN 22 Ca 0.05 0.09 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 2dk2 n ASN 22 Cb 0.61 -4.82 0.02 0.00 -0.61 0.00 0.00 39.78 34.98 2dk2 n ASN 22 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dk2 s LEU 23 N -3.44 2.93 0.03 3.41 1.02 -0.21 -4.00 118.68 118.42 2dk2 s LEU 23 Ca 0.12 -1.03 -0.03 0.00 0.02 0.00 0.00 54.13 53.21 2dk2 s LEU 23 Cb -0.03 -1.46 -0.04 0.00 0.02 0.00 0.00 46.19 44.67 2dk2 s LEU 23 CO 0.78 -1.16 0.23 0.00 0.02 0.00 0.00 176.35 176.23 2dk2 s ALA 24 N -2.70 3.93 -0.14 4.21 0.00 -1.26 -5.01 121.76 120.78 2dk2 s ALA 24 Ca 0.47 -0.71 0.16 0.00 0.00 0.00 0.00 51.96 51.87 2dk2 s ALA 24 Cb -0.04 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2dk2 s ALA 24 CO 0.29 0.74 1.11 1.15 0.00 0.00 0.00 175.76 179.04 2dk2 h THR 25 N 2.57 0.62 0.00 0.00 2.02 -1.99 -3.32 112.91 112.81 2dk2 h THR 25 Ca -0.48 -2.02 -0.20 0.00 0.77 0.00 0.00 66.41 64.48 2dk2 h THR 25 Cb 1.18 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.73 2dk2 h THR 25 CO 0.71 0.35 -0.96 0.71 0.37 0.00 0.00 175.52 176.70 2dk2 h THR 26 N 0.00 1.67 -4.17 3.16 1.35 -1.99 -3.46 112.91 109.46 2dk2 h THR 26 Ca -0.08 -3.30 -0.50 0.00 -0.55 0.00 0.00 66.41 61.97 2dk2 h THR 26 Cb 1.46 2.79 0.15 0.00 -1.73 0.00 0.00 68.15 70.83 2dk2 h THR 26 CO 0.05 0.94 0.26 0.68 -0.25 0.00 0.00 175.52 177.20 2dk2 s VAL 27 N -2.77 2.81 0.26 6.82 -7.23 -1.25 -5.07 120.40 113.97 2dk2 s VAL 27 Ca 0.01 0.26 0.06 0.00 -1.81 0.00 0.00 61.98 60.50 2dk2 s VAL 27 Cb 0.10 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 2dk2 s VAL 27 CO 0.81 -0.34 -0.04 0.28 -0.31 0.00 0.00 175.10 175.50 2dk2 s THR 28 N -2.84 1.44 0.55 5.32 -1.32 -1.26 -4.98 115.64 112.56 2dk2 s THR 28 Ca 0.63 -2.10 0.27 0.00 -1.21 0.00 0.00 61.69 59.28 2dk2 s THR 28 Cb -0.19 -2.39 0.39 0.00 -1.51 0.00 0.00 72.50 68.79 2dk2 s THR 28 CO 0.57 -0.32 2.00 -0.33 -2.21 0.00 0.00 174.62 174.32 2dk2 h GLU 29 N 2.36 0.00 -0.09 7.08 5.08 -1.99 -1.14 114.58 125.88 2dk2 h GLU 29 Ca -0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2dk2 h GLU 29 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2dk2 h GLU 29 CO 0.66 0.00 0.03 1.49 -1.00 0.00 0.00 179.01 180.19 2dk2 h GLU 30 N 0.00 0.14 -0.11 2.33 4.81 -1.99 -1.54 114.58 118.22 2dk2 h GLU 30 Ca 0.21 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2dk2 h GLU 30 Cb 0.94 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2dk2 h GLU 30 CO -0.00 0.29 0.03 0.82 -0.73 0.00 0.00 179.01 179.42 2dk2 h ILE 31 N -0.04 1.19 -0.26 2.32 2.04 -1.63 -1.35 117.51 119.77 2dk2 h ILE 31 Ca 0.03 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.39 2dk2 h ILE 31 Cb 0.21 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2dk2 h ILE 31 CO -0.00 0.17 0.19 -0.07 0.00 0.00 0.00 178.15 178.44 2dk2 h LEU 32 N -0.02 0.01 0.04 1.44 3.38 -1.40 0.13 115.31 118.89 2dk2 h LEU 32 Ca 0.04 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 2dk2 h LEU 32 Cb 0.24 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2dk2 h LEU 32 CO -0.00 0.01 -1.17 -0.33 0.09 0.00 0.00 178.44 177.04 2dk2 h GLU 33 N 0.01 0.46 0.00 1.13 5.08 -0.91 -3.15 114.58 117.20 2dk2 h GLU 33 Ca 0.12 -0.62 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2dk2 h GLU 33 Cb 0.49 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2dk2 h GLU 33 CO -0.00 1.26 -0.43 0.87 -1.00 0.00 0.00 179.01 179.70 2dk2 h LYS 34 N 0.20 0.00 -0.12 2.33 1.57 -0.08 0.24 116.57 120.72 2dk2 h LYS 34 Ca -0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 2dk2 h LYS 34 Cb 1.84 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 2dk2 h LYS 34 CO 0.21 0.43 -0.55 0.77 -0.57 0.00 0.00 179.45 179.73 2dk2 h SER 35 N 0.00 0.39 0.21 0.86 0.02 -0.84 -3.17 113.55 111.02 2dk2 h SER 35 Ca -0.00 -0.21 -0.34 0.00 -0.84 0.00 0.00 61.79 60.40 2dk2 h SER 35 Cb 1.05 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.43 2dk2 h SER 35 CO 0.06 0.86 -2.07 0.49 -1.14 0.00 0.00 176.83 175.03 2dk2 n PHE 36 N -3.93 0.61 0.10 3.45 3.72 -1.18 -4.15 117.46 116.09 2dk2 n PHE 36 Ca -0.02 0.19 0.19 0.00 -0.05 0.00 0.00 57.45 57.75 2dk2 n PHE 36 Cb 0.59 -1.10 0.75 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.01 0.00 0.14 4.37 0.87 -0.57 0.21 113.55 118.59 2dk2 h SER 37 Ca -0.43 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2dk2 h SER 37 Cb 2.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.03 2dk2 h SER 37 CO 0.04 0.00 -0.07 -0.33 -0.53 0.00 0.00 176.83 175.94 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.71 -3.08 114.58 117.11 2dk2 h GLU 38 Ca 0.18 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.35 2dk2 h GLU 38 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2dk2 h GLU 38 CO -0.00 0.07 -1.09 0.74 -1.00 0.00 0.00 179.01 177.72 2dk2 h PHE 39 N 0.00 0.00 -3.09 4.33 -1.00 -0.84 -3.50 116.94 112.84 2dk2 h PHE 39 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2dk2 h PHE 39 Cb 0.16 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.62 2dk2 h PHE 39 CO 0.00 1.29 0.16 0.20 -1.61 0.00 0.00 178.31 178.35 2dk2 s GLY 40 N -4.74 -0.35 -0.48 -1.45 0.00 -1.04 -5.06 107.32 94.21 2dk2 s GLY 40 Ca -0.26 0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 2dk2 s GLY 40 CO 0.55 -0.02 2.17 0.54 0.00 0.00 0.00 173.10 176.34 2dk2 s LYS 41 N -3.82 2.49 1.00 2.90 -0.14 -1.26 -4.04 119.74 116.86 2dk2 s LYS 41 Ca 0.06 1.25 -0.12 0.00 -1.36 0.00 0.00 55.97 55.79 2dk2 s LYS 41 Cb -0.02 -4.47 0.16 0.00 -1.68 0.00 0.00 37.83 31.82 2dk2 s LYS 41 CO -0.05 -2.85 0.88 1.28 -0.76 0.00 0.00 175.35 173.85 2dk2 n LEU 42 N 13.96 1.10 -0.11 3.17 4.77 -1.26 -3.82 117.00 134.82 2dk2 n LEU 42 Ca 0.30 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 2dk2 n LEU 42 Cb 0.52 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.19 2dk2 n LEU 42 CO 0.70 -2.78 -1.21 1.21 -1.33 0.00 0.00 177.39 173.98 2dk2 n GLU 43 N -3.76 0.49 -3.65 3.23 2.13 0.81 -4.78 120.64 115.11 2dk2 n GLU 43 Ca 0.08 0.16 -0.03 0.00 0.66 0.00 0.00 57.16 58.03 2dk2 n GLU 43 Cb 0.54 -1.34 -0.07 0.00 0.27 0.00 0.00 31.44 30.83 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 -2.40 0.08 0.11 5.31 3.52 -1.24 -4.93 118.95 119.39 2dk2 s ARG 44 Ca -0.29 0.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.50 2dk2 s ARG 44 Cb 0.09 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2dk2 s ARG 44 CO 0.43 -0.01 -0.23 0.08 -0.81 0.00 0.00 175.30 174.76 2dk2 s VAL 45 N 0.15 1.89 -0.10 7.11 1.01 -1.26 -0.36 120.40 128.83 2dk2 s VAL 45 Ca 0.06 -1.59 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 2dk2 s VAL 45 Cb -0.05 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.67 2dk2 s VAL 45 CO -0.15 0.01 0.25 -0.75 0.00 0.00 0.00 175.10 174.46 2dk2 s LYS 46 N -1.89 0.26 -0.62 2.72 2.47 -0.39 -4.98 119.74 117.30 2dk2 s LYS 46 Ca 0.09 0.41 -0.22 0.00 -1.56 0.00 0.00 55.97 54.69 2dk2 s LYS 46 Cb -0.10 0.04 0.07 0.00 -1.46 0.00 0.00 37.83 36.38 2dk2 s LYS 46 CO 0.05 -0.08 0.90 0.21 0.16 0.00 0.00 175.35 176.58 2dk2 s LYS 47 N 0.56 3.13 -0.23 4.03 2.20 -1.26 -1.34 119.74 126.82 2dk2 s LYS 47 Ca -0.04 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 2dk2 s LYS 47 Cb -0.05 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.03 -1.69 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.70 2dk2 s LEU 48 N 3.73 2.62 0.00 5.43 2.01 -1.13 -5.03 118.68 126.31 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 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.81 2dk2 s LEU 48 CO 0.11 -0.22 0.00 0.29 1.01 0.00 0.00 176.35 177.53 2dk2 n LYS 49 N 4.65 0.00 0.21 1.70 5.02 -1.26 -2.89 118.16 125.59 2dk2 n LYS 49 Ca -0.12 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.31 2dk2 n LYS 49 Cb 0.44 0.00 0.76 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 -0.52 0.00 0.00 177.40 176.44 2dk2 h ASP 50 N 0.00 0.00 -4.85 4.39 5.19 -1.96 -3.43 116.42 115.76 2dk2 h ASP 50 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 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 -2.52 -1.60 -3.91 4.55 0.18 -1.14 -1.05 117.16 111.67 2dk2 n TYR 51 Ca -0.01 -1.10 -0.09 0.00 1.88 0.00 0.00 57.90 58.58 2dk2 n TYR 51 Cb 0.07 -0.24 -0.08 0.00 -0.38 0.00 0.00 39.34 38.72 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 -2.37 -0.08 -0.30 -3.48 0.00 -0.29 -2.84 121.76 112.40 2dk2 s ALA 52 Ca 0.20 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2dk2 s ALA 52 Cb -0.02 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2dk2 s ALA 52 CO 0.13 -0.45 -0.03 -0.06 0.00 0.00 0.00 175.76 175.35 2dk2 s PHE 53 N -3.60 3.39 0.04 0.00 0.08 -0.45 -3.66 117.98 113.78 2dk2 s PHE 53 Ca 0.03 -2.36 0.06 0.00 0.12 0.00 0.00 56.93 54.78 2dk2 s PHE 53 Cb 0.04 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2dk2 s PHE 53 CO -0.09 -0.88 -0.14 0.08 -0.10 0.00 0.00 175.22 174.08 2dk2 s VAL 54 N 1.10 3.09 0.20 -0.44 1.01 -1.26 -1.26 120.40 122.84 2dk2 s VAL 54 Ca -0.03 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 60.98 2dk2 s VAL 54 Cb -0.20 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2dk2 s VAL 54 CO -0.05 0.33 -0.13 -1.00 0.00 0.00 0.00 175.10 174.26 2dk2 s HIS 55 N -0.97 2.54 0.12 5.22 3.76 0.51 -4.03 115.29 122.43 2dk2 s HIS 55 Ca 0.16 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.86 2dk2 s HIS 55 Cb -0.11 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 2dk2 s HIS 55 CO 0.07 0.54 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.30 2dk2 s PHE 56 N -1.82 1.32 0.57 1.40 0.40 -1.26 -0.13 117.98 118.46 2dk2 s PHE 56 Ca 0.25 -0.58 0.27 0.00 -0.60 0.00 0.00 56.93 56.27 2dk2 s PHE 56 Cb -0.08 -0.70 1.52 0.00 0.51 0.00 0.00 43.02 44.28 2dk2 s PHE 56 CO 0.14 0.11 2.01 0.93 0.70 0.00 0.00 175.22 179.12 2dk2 h GLU 57 N 3.51 0.00 0.00 0.44 4.39 -1.87 -3.45 114.58 117.61 2dk2 h GLU 57 Ca -0.39 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2dk2 h GLU 57 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dk2 h GLU 57 CO 0.51 0.00 0.22 -3.47 -1.16 0.00 0.00 179.01 175.11 2dk2 n ASP 58 N -3.96 -1.54 -0.05 1.42 2.03 -1.26 -5.06 116.55 108.14 2dk2 n ASP 58 Ca 0.06 -2.04 -0.15 0.00 0.52 0.00 0.00 54.79 53.18 2dk2 n ASP 58 Cb 0.49 2.56 -0.07 0.00 -0.72 0.00 0.00 41.12 43.38 2dk2 n ASP 58 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dk2 h ARG 59 N 0.00 0.60 -0.14 -0.67 1.12 -1.85 -3.23 114.38 110.20 2dk2 h ARG 59 Ca -0.23 -0.43 0.05 0.00 -1.11 0.00 0.00 59.98 58.26 2dk2 h ARG 59 Cb 0.85 0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 30.83 2dk2 h ARG 59 CO 0.29 1.05 -0.21 0.78 -3.11 0.00 0.00 179.97 178.77 2dk2 h GLY 60 N 0.25 -0.19 1.21 2.80 0.00 -1.93 0.24 103.07 105.46 2dk2 h GLY 60 Ca -0.01 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.67 2dk2 h GLY 60 CO 0.10 -0.19 0.31 0.00 0.00 0.00 0.00 176.54 176.76 2dk2 h ALA 61 N 0.73 2.01 0.00 3.60 0.00 -1.98 0.23 119.26 123.85 2dk2 h ALA 61 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2dk2 h ALA 61 Cb 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dk2 h ALA 61 CO -0.30 -0.46 -0.39 0.00 0.00 0.00 0.00 179.25 178.09 2dk2 h ALA 62 N 1.67 0.08 0.11 0.00 0.00 -1.00 -3.20 119.26 116.91 2dk2 h ALA 62 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2dk2 h ALA 62 Cb 0.76 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2dk2 h ALA 62 CO -0.00 0.23 -0.05 0.28 0.00 0.00 0.00 179.25 179.70 2dk2 h VAL 63 N -1.00 0.95 -0.23 0.00 2.07 0.00 0.19 116.25 118.24 2dk2 h VAL 63 Ca -0.11 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2dk2 h VAL 63 Cb 1.04 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2dk2 h VAL 63 CO -0.06 0.05 0.23 0.50 0.02 0.00 0.00 177.57 178.31 2dk2 h LYS 64 N -0.24 0.00 0.00 1.57 3.11 -0.76 0.14 116.57 120.39 2dk2 h LYS 64 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2dk2 h LYS 64 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2dk2 h LYS 64 CO 0.02 0.00 -0.20 0.00 -2.81 0.00 0.00 179.45 176.46 2dk2 h ALA 65 N 1.75 0.00 -0.66 5.00 0.00 -1.40 -3.37 119.26 120.57 2dk2 h ALA 65 Ca 0.11 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.98 2dk2 h ALA 65 Cb 0.57 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2dk2 h ALA 65 CO -0.00 0.20 0.50 1.98 0.00 0.00 0.00 179.25 181.94 2dk2 h MET 66 N -0.80 0.00 -0.59 0.00 1.85 -0.48 0.18 114.93 115.09 2dk2 h MET 66 Ca 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 2dk2 h MET 66 Cb 0.20 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 32.16 2dk2 h MET 66 CO 0.00 0.00 0.20 -0.44 -0.40 0.00 0.00 176.91 176.27 2dk2 h ASP 67 N 0.00 0.18 0.04 1.39 5.19 -0.86 0.11 116.42 122.47 2dk2 h ASP 67 Ca 0.32 0.08 -0.33 0.00 -0.62 0.00 0.00 57.03 56.48 2dk2 h ASP 67 Cb 1.32 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.87 2dk2 h ASP 67 CO -0.00 0.11 -1.81 -0.62 -3.12 0.00 0.00 179.24 173.80 2dk2 n GLU 68 N -5.02 0.64 -0.18 3.56 -0.58 -0.29 -4.20 120.64 114.57 2dk2 n GLU 68 Ca 0.08 0.39 0.22 0.00 -0.42 0.00 0.00 57.16 57.43 2dk2 n GLU 68 Cb 0.27 -1.68 0.61 0.00 -0.57 0.00 0.00 31.44 30.07 2dk2 n GLU 68 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2dk2 h MET 69 N -0.55 0.20 -5.92 3.49 2.86 -0.71 -3.41 114.93 110.90 2dk2 h MET 69 Ca -0.45 -0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 56.55 2dk2 h MET 69 Cb 1.65 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 2dk2 h MET 69 CO -0.13 0.13 1.47 -1.71 1.06 0.00 0.00 176.91 177.73 2dk2 n ASN 70 N -4.41 2.31 -0.50 1.22 2.85 0.39 -1.43 115.26 115.69 2dk2 n ASN 70 Ca 0.17 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 2dk2 n ASN 70 Cb 0.77 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.45 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 6.34 0.77 3.92 8.20 0.00 -1.26 -5.02 105.19 118.14 2dk2 n GLY 71 Ca 0.40 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.19 2.56 -0.28 1.61 -0.14 -0.52 -5.04 119.74 114.74 2dk2 s LYS 72 Ca 0.00 -1.52 0.01 0.00 -1.36 0.00 0.00 55.97 53.10 2dk2 s LYS 72 Cb 0.00 -2.46 0.06 0.00 -1.68 0.00 0.00 37.83 33.75 2dk2 s LYS 72 CO 0.00 -0.30 -0.06 -2.00 -0.76 0.00 0.00 175.35 172.24 2dk2 s GLU 73 N -4.23 2.27 -0.17 1.68 2.12 -1.26 -3.49 118.70 115.62 2dk2 s GLU 73 Ca 0.50 -1.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 2dk2 s GLU 73 Cb -0.05 -3.03 -0.00 0.00 0.26 0.00 0.00 34.13 31.32 2dk2 s GLU 73 CO 0.29 -0.62 -0.14 0.42 -0.54 0.00 0.00 175.26 174.68 2dk2 s ILE 74 N 1.15 2.74 -1.53 -3.70 1.01 -1.17 -4.62 121.20 115.08 2dk2 s ILE 74 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 2dk2 s ILE 74 Cb -0.20 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.10 2dk2 s ILE 74 CO -0.04 0.50 0.23 1.21 0.00 0.00 0.00 174.94 176.84 2dk2 n GLU 75 N 4.27 -2.91 -1.71 2.79 0.00 -1.26 -0.78 120.64 121.04 2dk2 n GLU 75 Ca -0.19 0.85 -0.16 0.00 0.00 0.00 0.00 57.16 57.66 2dk2 n GLU 75 Cb 0.51 -5.57 -0.05 0.00 0.00 0.00 0.00 31.44 26.34 2dk2 n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dk2 n GLY 76 N -1.14 1.04 3.16 8.31 0.00 -1.26 -4.98 105.19 110.32 2dk2 n GLY 76 Ca -0.17 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.77 2.95 -0.46 1.61 0.41 0.04 -5.07 118.70 114.41 2dk2 s GLU 77 Ca 0.00 -0.83 -0.27 0.00 -0.41 0.00 0.00 54.97 53.47 2dk2 s GLU 77 Cb 0.00 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.92 2dk2 s GLU 77 CO 0.00 -0.01 2.19 -1.21 -0.49 0.00 0.00 175.26 175.74 2dk2 s GLU 78 N 0.81 2.50 0.11 1.61 2.02 -1.26 -3.07 118.70 121.42 2dk2 s GLU 78 Ca -0.08 1.31 -0.07 0.00 0.02 0.00 0.00 54.97 56.16 2dk2 s GLU 78 Cb -0.16 -4.47 -0.06 0.00 0.10 0.00 0.00 34.13 29.55 2dk2 s GLU 78 CO -0.01 -2.84 0.38 0.96 0.02 0.00 0.00 175.26 173.77 2dk2 s ILE 79 N 10.36 5.15 0.22 -1.63 -4.36 -1.23 -4.81 121.20 124.90 2dk2 s ILE 79 Ca 0.89 0.19 0.11 0.00 -0.26 0.00 0.00 60.65 61.58 2dk2 s ILE 79 Cb -0.19 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.85 2dk2 s ILE 79 CO 0.27 0.14 -0.19 -0.70 0.24 0.00 0.00 174.94 174.70 2dk2 s GLU 80 N -2.35 1.72 -0.03 0.37 2.12 -0.53 -4.22 118.70 115.77 2dk2 s GLU 80 Ca 0.38 -1.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.14 2dk2 s GLU 80 Cb -0.13 -1.90 0.01 0.00 0.26 0.00 0.00 34.13 32.37 2dk2 s GLU 80 CO 0.22 0.38 0.09 0.42 -0.54 0.00 0.00 175.26 175.83 2dk2 s ILE 81 N -1.96 -0.01 0.15 -3.70 1.01 -1.26 -1.56 121.20 113.87 2dk2 s ILE 81 Ca 0.25 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 2dk2 s ILE 81 Cb -0.07 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.27 2dk2 s ILE 81 CO 0.13 0.01 0.34 0.68 0.00 0.00 0.00 174.94 176.09 2dk2 s VAL 82 N 0.16 0.07 -0.08 2.92 -7.23 -0.85 -4.94 120.40 110.47 2dk2 s VAL 82 Ca -0.01 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.80 2dk2 s VAL 82 Cb -0.02 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2dk2 s VAL 82 CO -0.00 -0.34 1.05 -0.76 -0.31 0.00 0.00 175.10 174.73 2dk2 s LEU 83 N -2.89 4.27 -0.02 1.32 1.43 -1.26 -1.12 118.68 120.41 2dk2 s LEU 83 Ca 0.10 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 54.72 2dk2 s LEU 83 Cb 0.02 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 2dk2 s LEU 83 CO -0.05 -0.45 0.29 0.00 0.23 0.00 0.00 176.35 176.37 2dk2 s ALA 84 N 1.88 3.80 0.24 4.21 0.00 -1.15 -4.84 121.76 125.90 2dk2 s ALA 84 Ca 0.51 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 2dk2 s ALA 84 Cb -0.20 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 2dk2 s ALA 84 CO 0.20 0.58 0.55 -1.59 0.00 0.00 0.00 175.76 175.50 2dk2 s LYS 85 N -1.36 3.75 0.96 0.00 0.00 -1.26 -4.70 119.74 117.13 2dk2 s LYS 85 Ca 0.23 0.19 -0.12 0.00 0.00 0.00 0.00 55.97 56.27 2dk2 s LYS 85 Cb -0.14 -2.65 0.17 0.00 0.00 0.00 0.00 37.83 35.21 2dk2 s LYS 85 CO 0.12 0.29 1.09 -1.25 0.00 0.00 0.00 175.35 175.60 2dk2 s PRO 86 N -3.02 0.73 0.61 1.78 0.04 -1.26 -5.02 135.00 128.86 2dk2 s PRO 86 Ca 0.46 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 2dk2 s PRO 86 Cb -0.11 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2dk2 s PRO 86 CO 0.24 -2.56 1.12 -1.25 0.04 0.00 0.00 177.00 174.59 2dk2 s PRO 87 N -4.95 3.04 0.59 0.56 0.04 -1.26 -5.05 135.00 127.97 2dk2 s PRO 87 Ca 0.65 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 2dk2 s PRO 87 Cb -0.18 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2dk2 s PRO 87 CO 0.57 -1.07 0.85 -0.51 0.04 0.00 0.00 177.00 176.88 2dk2 s ASP 88 N -2.23 5.29 0.08 6.66 1.01 -1.26 -5.02 116.67 121.19 2dk2 s ASP 88 Ca 0.69 0.29 -0.22 0.00 0.71 0.00 0.00 52.55 54.03 2dk2 s ASP 88 Cb -0.22 -1.19 -0.13 0.00 1.01 0.00 0.00 42.92 42.39 2dk2 s ASP 88 CO 0.35 -1.19 1.64 0.50 0.21 0.00 0.00 175.17 176.68 2dk2 h LYS 89 N -0.11 0.11 -6.35 8.23 3.11 -2.06 -3.39 116.57 116.11 2dk2 h LYS 89 Ca -0.44 -0.02 -0.55 0.00 -2.81 0.00 0.00 60.65 56.83 2dk2 h LYS 89 Cb 1.29 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.45 2dk2 h LYS 89 CO 0.57 0.19 1.16 0.15 -2.81 0.00 0.00 179.45 178.71 2dk2 s LYS 90 N -5.72 3.28 0.25 1.90 1.02 -1.26 -4.98 119.74 114.23 2dk2 s LYS 90 Ca -0.14 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 2dk2 s LYS 90 Cb 0.06 -4.15 -0.09 0.00 -0.52 0.00 0.00 37.83 33.13 2dk2 s LYS 90 CO 0.68 -1.95 1.24 1.03 -0.92 0.00 0.00 175.35 175.44 2dk2 s ARG 91 N 5.61 4.45 -0.41 1.68 0.52 -1.26 -4.16 118.95 125.39 2dk2 s ARG 91 Ca 0.62 2.02 -0.16 0.00 -0.52 0.00 0.00 55.73 57.68 2dk2 s ARG 91 Cb -0.14 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.19 2dk2 s ARG 91 CO 0.28 -0.10 0.51 0.43 0.02 0.00 0.00 175.30 176.44 2dk2 n SER 92 N 1.77 -7.71 -3.69 0.23 7.64 -1.26 -4.98 113.62 105.61 2dk2 n SER 92 Ca 0.02 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 60.20 2dk2 n SER 92 Cb 0.43 -4.96 0.27 0.00 -1.01 0.00 0.00 64.21 58.94 2dk2 n SER 92 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk2 s GLY 93 N -2.33 1.48 -0.84 0.23 0.00 -1.26 -4.84 107.32 99.76 2dk2 s GLY 93 Ca 0.22 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 43.93 2dk2 s GLY 93 CO 0.77 0.17 1.93 2.56 0.00 0.00 0.00 173.10 178.53 2dk2 s PRO 94 N -5.08 2.57 0.38 2.90 0.04 -1.26 -4.87 135.00 129.68 2dk2 s PRO 94 Ca 0.69 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 2dk2 s PRO 94 Cb -0.14 -4.91 0.05 0.00 0.04 0.00 0.00 34.50 29.54 2dk2 s PRO 94 CO 0.58 -3.24 0.75 -1.12 0.04 0.00 0.00 177.00 174.02 2dk2 s SER 95 N 8.06 0.12 0.34 6.66 0.01 -1.26 -5.15 113.70 122.48 2dk2 s SER 95 Ca 0.69 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2dk2 s SER 95 Cb -0.08 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.98 2dk2 s SER 95 CO 0.04 -1.65 0.00 -0.24 0.41 0.00 0.00 173.24 171.80 2dk2 n SER 96 N -1.42 -7.41 0.00 2.44 2.88 -1.26 -5.21 113.62 103.64 2dk2 n SER 96 Ca -0.07 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2dk2 n SER 96 Cb 0.60 -3.86 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42