#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 6.17 -0.43 1.61 0.01 -1.26 -5.06 113.70 114.75 2dk2 s SER 2 Ca 0.00 0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.73 2dk2 s SER 2 Cb 0.00 -1.88 0.32 0.00 0.21 0.00 0.00 66.02 64.67 2dk2 s SER 2 CO 0.00 -0.40 0.94 -1.54 0.41 0.00 0.00 173.24 172.65 2dk2 n SER 3 N -1.86 -1.14 0.00 2.44 3.41 -1.26 -5.11 113.62 110.11 2dk2 n SER 3 Ca -0.03 -3.40 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 2dk2 n SER 3 Cb 0.57 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 2dk2 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk2 n GLY 4 N 0.45 2.74 2.23 5.00 0.00 -1.26 -4.82 105.19 109.52 2dk2 n GLY 4 Ca 0.14 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 8.03 -1.12 -4.06 1.61 2.88 -1.26 -5.12 113.62 114.58 2dk2 n SER 5 Ca 0.00 -1.66 -0.33 0.00 -1.33 0.00 0.00 58.87 55.55 2dk2 n SER 5 Cb 0.00 1.83 -0.13 0.00 -0.75 0.00 0.00 64.21 65.16 2dk2 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dk2 s SER 6 N -2.35 4.95 0.00 -3.46 1.04 -1.26 -5.05 113.70 107.56 2dk2 s SER 6 Ca 0.12 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 54.23 2dk2 s SER 6 Cb -0.02 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2dk2 s SER 6 CO 0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dk2 n GLY 7 N 4.12 1.06 3.83 7.32 0.00 -1.26 -5.16 105.19 115.10 2dk2 n GLY 7 Ca 0.02 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 5.93 0.14 1.61 1.11 -1.26 -4.99 116.67 119.22 2dk2 s ASP 8 Ca 0.00 1.63 -0.11 0.00 0.18 0.00 0.00 52.55 54.24 2dk2 s ASP 8 Cb 0.00 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 2dk2 s ASP 8 CO 0.00 -1.06 1.47 1.55 1.18 0.00 0.00 175.17 178.31 2dk2 h PRO 9 N 0.05 0.93 -0.12 8.23 0.13 -2.02 -3.03 132.00 136.17 2dk2 h PRO 9 Ca -0.45 -0.48 0.04 0.00 -0.87 0.00 0.00 66.00 64.23 2dk2 h PRO 9 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dk2 h PRO 9 CO 0.59 1.14 0.09 0.93 -0.23 0.00 0.00 178.00 180.52 2dk2 h GLU 10 N 0.74 0.00 0.03 0.86 4.39 -1.99 -1.16 114.58 117.45 2dk2 h GLU 10 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2dk2 h GLU 10 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2dk2 h GLU 10 CO 0.09 0.00 -0.01 0.28 -1.16 0.00 0.00 179.01 178.21 2dk2 h VAL 11 N 0.00 1.17 -0.01 3.13 2.07 -1.93 -3.01 116.25 117.68 2dk2 h VAL 11 Ca 0.06 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 2dk2 h VAL 11 Cb 0.24 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2dk2 h VAL 11 CO -0.00 0.16 -0.38 0.24 0.02 0.00 0.00 177.57 177.61 2dk2 h MET 12 N -0.31 0.03 -0.46 1.57 2.86 -1.47 -2.70 114.93 114.44 2dk2 h MET 12 Ca -0.00 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 2dk2 h MET 12 Cb 0.29 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2dk2 h MET 12 CO 0.01 0.40 0.40 0.00 1.06 0.00 0.00 176.91 178.78 2dk2 h ALA 13 N 1.60 2.29 -0.98 6.32 0.00 -1.09 0.42 119.26 127.82 2dk2 h ALA 13 Ca -0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 2dk2 h ALA 13 Cb 0.68 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.20 2dk2 h ALA 13 CO 0.05 -0.64 0.76 1.17 0.00 0.00 0.00 179.25 180.59 2dk2 n LYS 14 N -4.04 2.71 -3.86 0.00 4.81 -1.02 -4.88 118.16 111.89 2dk2 n LYS 14 Ca 0.08 -3.32 -0.28 0.00 -0.87 0.00 0.00 58.31 53.92 2dk2 n LYS 14 Cb 0.60 -2.28 -0.16 0.00 0.02 0.00 0.00 35.03 33.21 2dk2 n LYS 14 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dk2 s VAL 15 N -4.71 1.01 -0.10 3.15 1.01 0.14 -4.86 120.40 116.05 2dk2 s VAL 15 Ca 0.64 -0.63 0.15 0.00 0.00 0.00 0.00 61.98 62.13 2dk2 s VAL 15 Cb 0.50 -1.25 0.32 0.00 0.00 0.00 0.00 36.38 35.96 2dk2 s VAL 15 CO 0.00 0.06 1.15 2.29 0.00 0.00 0.00 175.10 178.60 2dk2 n LYS 16 N 4.90 0.79 -3.71 2.72 2.85 -1.26 -4.69 118.16 119.75 2dk2 n LYS 16 Ca -0.11 -2.39 -0.26 0.00 -1.05 0.00 0.00 58.31 54.50 2dk2 n LYS 16 Cb 0.47 -0.93 -0.17 0.00 -0.65 0.00 0.00 35.03 33.75 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 -1.67 0.34 0.05 0.58 1.01 -1.26 -3.93 120.40 115.51 2dk2 s VAL 17 Ca 0.29 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 2dk2 s VAL 17 Cb 0.29 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 2dk2 s VAL 17 CO -0.07 -0.11 0.64 -0.76 0.00 0.00 0.00 175.10 174.81 2dk2 s LEU 18 N 1.95 4.48 -0.48 3.92 1.43 -1.25 -3.28 118.68 125.45 2dk2 s LEU 18 Ca 0.01 1.30 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 2dk2 s LEU 18 Cb -0.16 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.15 2dk2 s LEU 18 CO -0.07 0.15 0.39 0.12 0.23 0.00 0.00 176.35 177.17 2dk2 s PHE 19 N -0.56 3.29 -0.40 0.29 5.36 -0.55 -4.16 117.98 121.26 2dk2 s PHE 19 Ca 0.32 -1.29 -0.18 0.00 -0.96 0.00 0.00 56.93 54.83 2dk2 s PHE 19 Cb -0.20 -3.35 0.01 0.00 -0.34 0.00 0.00 43.02 39.14 2dk2 s PHE 19 CO 0.20 -0.90 0.47 0.08 -1.46 0.00 0.00 175.22 173.61 2dk2 s VAL 20 N 1.55 5.05 0.38 3.12 1.01 -1.24 -0.94 120.40 129.32 2dk2 s VAL 20 Ca 0.04 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2dk2 s VAL 20 Cb -0.26 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2dk2 s VAL 20 CO 0.04 -0.35 0.41 -0.60 0.00 0.00 0.00 175.10 174.59 2dk2 s ARG 21 N 2.27 2.76 -0.62 2.72 3.52 0.05 -1.06 118.95 128.59 2dk2 s ARG 21 Ca 0.15 -1.31 -0.08 0.00 -0.13 0.00 0.00 55.73 54.36 2dk2 s ARG 21 Cb -0.16 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 2dk2 s ARG 21 CO 0.14 -0.07 0.65 0.09 -0.81 0.00 0.00 175.30 175.30 2dk2 n ASN 22 N -1.57 -7.44 -4.95 -2.12 3.02 -1.14 -0.93 115.26 100.12 2dk2 n ASN 22 Ca 0.02 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.39 2dk2 n ASN 22 Cb 0.60 -4.77 0.02 0.00 -0.61 0.00 0.00 39.78 35.01 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 -3.50 2.87 0.03 3.41 1.02 -0.13 -3.99 118.68 118.40 2dk2 s LEU 23 Ca 0.11 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 53.19 2dk2 s LEU 23 Cb -0.03 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.76 2dk2 s LEU 23 CO 0.78 -1.18 0.09 0.00 0.02 0.00 0.00 176.35 176.06 2dk2 s ALA 24 N -2.72 3.60 -0.15 4.21 0.00 -1.26 -5.01 121.76 120.42 2dk2 s ALA 24 Ca 0.45 -0.92 0.16 0.00 0.00 0.00 0.00 51.96 51.65 2dk2 s ALA 24 Cb -0.04 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2dk2 s ALA 24 CO 0.28 0.72 1.15 1.15 0.00 0.00 0.00 175.76 179.07 2dk2 h THR 25 N 2.90 0.64 0.00 0.00 2.02 -1.99 -3.30 112.91 113.17 2dk2 h THR 25 Ca -0.48 -2.02 -0.13 0.00 0.77 0.00 0.00 66.41 64.55 2dk2 h THR 25 Cb 1.17 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 2dk2 h THR 25 CO 0.65 0.36 -0.63 0.71 0.37 0.00 0.00 175.52 176.98 2dk2 h THR 26 N 0.00 1.45 -4.30 3.16 1.35 -1.99 -3.45 112.91 109.14 2dk2 h THR 26 Ca -0.07 -2.17 -0.50 0.00 -0.55 0.00 0.00 66.41 63.12 2dk2 h THR 26 Cb 1.44 2.17 0.11 0.00 -1.73 0.00 0.00 68.15 70.14 2dk2 h THR 26 CO 0.05 0.62 0.35 0.68 -0.25 0.00 0.00 175.52 176.97 2dk2 s VAL 27 N -3.58 3.55 0.28 6.82 -7.23 -1.25 -5.08 120.40 113.91 2dk2 s VAL 27 Ca -0.01 0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.71 2dk2 s VAL 27 Cb 0.13 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.80 2dk2 s VAL 27 CO 0.76 -0.66 -0.00 0.28 -0.31 0.00 0.00 175.10 175.18 2dk2 s THR 28 N -3.06 1.28 0.55 5.32 -1.32 -1.26 -4.98 115.64 112.16 2dk2 s THR 28 Ca 0.60 -2.05 0.27 0.00 -1.21 0.00 0.00 61.69 59.30 2dk2 s THR 28 Cb -0.15 -2.53 0.40 0.00 -1.51 0.00 0.00 72.50 68.72 2dk2 s THR 28 CO 0.55 -0.21 1.97 -0.33 -2.21 0.00 0.00 174.62 174.39 2dk2 h GLU 29 N 2.29 0.00 -0.40 7.08 5.08 -1.98 0.13 114.58 126.79 2dk2 h GLU 29 Ca -0.40 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 2dk2 h GLU 29 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2dk2 h GLU 29 CO 0.67 0.00 -0.16 1.49 -1.00 0.00 0.00 179.01 180.01 2dk2 h GLU 30 N 0.00 0.74 0.24 2.33 4.22 -1.99 -1.95 114.58 118.18 2dk2 h GLU 30 Ca 0.24 -0.26 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2dk2 h GLU 30 Cb 1.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dk2 h GLU 30 CO -0.00 0.85 -0.12 0.82 -2.18 0.00 0.00 179.01 178.39 2dk2 h ILE 31 N 0.66 0.34 -0.77 2.32 2.04 -1.16 -2.73 117.51 118.21 2dk2 h ILE 31 Ca 0.11 -0.90 0.22 0.00 1.00 0.00 0.00 64.86 65.29 2dk2 h ILE 31 Cb 0.63 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2dk2 h ILE 31 CO 0.04 0.09 0.56 -0.07 0.00 0.00 0.00 178.15 178.78 2dk2 h LEU 32 N -1.02 0.00 -0.16 1.44 3.38 -1.48 0.20 115.31 117.67 2dk2 h LEU 32 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2dk2 h LEU 32 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dk2 h LEU 32 CO 0.05 0.00 -0.51 -0.33 0.09 0.00 0.00 178.44 177.74 2dk2 h GLU 33 N 0.00 0.63 0.00 1.13 5.08 -1.38 -2.97 114.58 117.07 2dk2 h GLU 33 Ca 0.37 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2dk2 h GLU 33 Cb 1.49 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2dk2 h GLU 33 CO -0.00 1.08 -0.41 0.87 -1.00 0.00 0.00 179.01 179.55 2dk2 h LYS 34 N 0.29 0.00 -0.28 2.33 1.57 -0.55 0.24 116.57 120.18 2dk2 h LYS 34 Ca -0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2dk2 h LYS 34 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2dk2 h LYS 34 CO 0.11 0.41 -0.32 0.77 -0.57 0.00 0.00 179.45 179.85 2dk2 h SER 35 N 0.00 0.60 0.18 0.86 0.02 -0.71 -3.08 113.55 111.43 2dk2 h SER 35 Ca -0.00 -0.24 -0.35 0.00 -0.84 0.00 0.00 61.79 60.36 2dk2 h SER 35 Cb 1.01 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 2dk2 h SER 35 CO 0.05 0.89 -2.10 0.49 -1.14 0.00 0.00 176.83 175.02 2dk2 n PHE 36 N -4.07 0.63 -0.14 3.45 3.72 -1.13 -4.19 117.46 115.73 2dk2 n PHE 36 Ca -0.01 0.18 0.23 0.00 -0.05 0.00 0.00 57.45 57.80 2dk2 n PHE 36 Cb 0.47 -1.10 0.64 0.00 -0.94 0.00 0.00 39.48 38.55 2dk2 n PHE 36 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2dk2 h SER 37 N 0.02 0.14 -0.27 4.37 0.02 -0.56 0.23 113.55 117.50 2dk2 h SER 37 Ca -0.44 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.60 2dk2 h SER 37 Cb 2.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.57 2dk2 h SER 37 CO 0.04 0.06 0.28 1.05 -1.14 0.00 0.00 176.83 177.12 2dk2 h GLU 38 N 0.14 0.00 0.00 3.45 4.11 -1.70 -2.35 114.58 118.23 2dk2 h GLU 38 Ca 0.38 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.72 2dk2 h GLU 38 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2dk2 h GLU 38 CO -0.06 0.00 -0.52 0.74 0.07 0.00 0.00 179.01 179.24 2dk2 h PHE 39 N 0.00 0.00 -2.75 2.06 -1.00 -0.79 -3.50 116.94 110.96 2dk2 h PHE 39 Ca 0.13 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.96 2dk2 h PHE 39 Cb 0.68 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.13 2dk2 h PHE 39 CO 0.00 1.08 0.31 0.20 -1.61 0.00 0.00 178.31 178.29 2dk2 s GLY 40 N -4.43 -0.45 -0.57 -1.45 0.00 -0.88 -5.07 107.32 94.46 2dk2 s GLY 40 Ca -0.21 0.45 -0.27 0.00 0.00 0.00 0.00 44.72 44.68 2dk2 s GLY 40 CO 0.58 0.15 2.47 1.17 0.00 0.00 0.00 173.10 177.47 2dk2 n LYS 41 N -0.37 0.87 -0.38 2.90 0.00 -1.26 -4.25 118.16 115.67 2dk2 n LYS 41 Ca -0.12 -0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.92 2dk2 n LYS 41 Cb 0.63 -3.11 0.25 0.00 0.00 0.00 0.00 35.03 32.79 2dk2 n LYS 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dk2 n LEU 42 N 14.97 -1.08 -0.01 3.14 4.77 -1.26 -3.89 117.00 133.63 2dk2 n LEU 42 Ca 0.42 -0.56 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 2dk2 n LEU 42 Cb 0.46 -1.00 -0.01 0.00 -2.33 0.00 0.00 43.42 40.54 2dk2 n LEU 42 CO 0.75 -3.92 -0.56 1.21 -1.33 0.00 0.00 177.39 173.54 2dk2 n GLU 43 N -4.40 0.04 -3.65 3.23 0.00 0.83 -4.65 120.64 112.04 2dk2 n GLU 43 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 57.16 57.24 2dk2 n GLU 43 Cb 0.54 -0.73 -0.07 0.00 0.00 0.00 0.00 31.44 31.18 2dk2 n GLU 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2dk2 s ARG 44 N -2.03 0.03 0.08 5.31 3.52 -1.23 -4.93 118.95 119.70 2dk2 s ARG 44 Ca -0.02 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.69 2dk2 s ARG 44 Cb 0.01 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2dk2 s ARG 44 CO 0.03 -0.00 -0.22 0.08 -0.81 0.00 0.00 175.30 174.38 2dk2 s VAL 45 N 0.17 1.77 -0.05 7.11 1.01 -1.26 -0.48 120.40 128.68 2dk2 s VAL 45 Ca 0.05 -1.43 -0.03 0.00 0.00 0.00 0.00 61.98 60.57 2dk2 s VAL 45 Cb -0.05 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2dk2 s VAL 45 CO -0.15 0.07 0.12 -0.75 0.00 0.00 0.00 175.10 174.39 2dk2 s LYS 46 N -1.63 0.11 -0.63 2.72 2.47 -0.31 -4.98 119.74 117.50 2dk2 s LYS 46 Ca 0.08 0.21 -0.22 0.00 -1.56 0.00 0.00 55.97 54.48 2dk2 s LYS 46 Cb -0.10 -0.01 0.07 0.00 -1.46 0.00 0.00 37.83 36.34 2dk2 s LYS 46 CO 0.03 -0.06 0.89 0.21 0.16 0.00 0.00 175.35 176.58 2dk2 s LYS 47 N 0.39 3.12 -0.23 4.03 2.20 -1.26 -1.36 119.74 126.62 2dk2 s LYS 47 Ca -0.03 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2dk2 s LYS 47 Cb -0.04 -4.21 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 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 3.69 2.61 0.00 5.43 2.01 -1.14 -5.03 118.68 126.25 2dk2 s LEU 48 Ca 0.20 -1.16 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 0.10 -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 3.00 -1.26 -2.88 118.16 123.57 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.32 2dk2 n LYS 49 Cb 0.44 0.00 0.71 0.00 0.00 0.00 0.00 35.03 36.18 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dk2 h ASP 50 N 0.00 0.00 -4.92 3.14 3.32 -1.96 -3.43 116.42 112.57 2dk2 h ASP 50 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2dk2 h ASP 50 CO 0.00 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.42 2dk2 n TYR 51 N -2.45 -1.63 -3.93 4.55 0.18 -1.14 -0.95 117.16 111.80 2dk2 n TYR 51 Ca -0.01 -1.15 -0.09 0.00 1.88 0.00 0.00 57.90 58.54 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 -0.02 -0.29 -3.48 0.00 -0.23 -2.88 121.76 112.47 2dk2 s ALA 52 Ca 0.21 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2dk2 s ALA 52 Cb -0.02 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.54 2dk2 s ALA 52 CO 0.14 -0.43 -0.03 -0.06 0.00 0.00 0.00 175.76 175.38 2dk2 s PHE 53 N -3.52 3.40 0.04 0.00 0.08 -0.46 -3.62 117.98 113.89 2dk2 s PHE 53 Ca 0.03 -2.39 0.06 0.00 0.12 0.00 0.00 56.93 54.75 2dk2 s PHE 53 Cb 0.04 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2dk2 s PHE 53 CO -0.09 -0.89 -0.14 0.08 -0.10 0.00 0.00 175.22 174.09 2dk2 s VAL 54 N 1.09 3.10 0.13 -0.44 1.01 -1.26 -1.16 120.40 122.87 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 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2dk2 s VAL 54 CO -0.05 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.16 2dk2 s HIS 55 N -0.98 2.42 0.15 5.22 3.76 0.37 -3.92 115.29 122.30 2dk2 s HIS 55 Ca 0.16 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 2dk2 s HIS 55 Cb -0.11 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 2dk2 s HIS 55 CO 0.07 0.38 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.09 2dk2 s PHE 56 N -1.18 1.81 0.58 1.40 0.40 -1.25 -0.12 117.98 119.62 2dk2 s PHE 56 Ca 0.17 -0.46 0.28 0.00 -0.60 0.00 0.00 56.93 56.32 2dk2 s PHE 56 Cb -0.10 -0.93 1.58 0.00 0.51 0.00 0.00 43.02 44.08 2dk2 s PHE 56 CO 0.08 0.30 2.04 0.93 0.70 0.00 0.00 175.22 179.27 2dk2 h GLU 57 N 3.46 0.00 0.00 0.44 4.39 -1.83 -3.45 114.58 117.59 2dk2 h GLU 57 Ca -0.43 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 2dk2 h GLU 57 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dk2 h GLU 57 CO 0.48 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.86 2dk2 n ASP 58 N -3.84 -0.01 0.01 1.42 -0.08 -1.26 -5.05 116.55 107.74 2dk2 n ASP 58 Ca 0.04 -1.01 -0.09 0.00 -1.51 0.00 0.00 54.79 52.22 2dk2 n ASP 58 Cb 0.43 0.01 -0.13 0.00 2.34 0.00 0.00 41.12 43.77 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 0.02 -0.09 -0.67 2.43 -1.86 -3.30 114.38 110.91 2dk2 h ARG 59 Ca -0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2dk2 h ARG 59 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2dk2 h ARG 59 CO 0.00 0.71 -0.25 0.78 -1.51 0.00 0.00 179.97 179.70 2dk2 h GLY 60 N 3.17 0.17 2.00 2.80 0.00 -1.97 0.59 103.07 109.83 2dk2 h GLY 60 Ca -0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 2dk2 h GLY 60 CO 0.10 0.12 -0.49 0.00 0.00 0.00 0.00 176.54 176.27 2dk2 h ALA 61 N 1.60 0.73 0.00 3.60 0.00 -1.98 -2.38 119.26 120.84 2dk2 h ALA 61 Ca 0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2dk2 h ALA 61 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dk2 h ALA 61 CO 0.04 0.61 -0.62 0.00 0.00 0.00 0.00 179.25 179.27 2dk2 h ALA 62 N 1.51 0.13 0.27 0.00 0.00 -1.52 -3.23 119.26 116.43 2dk2 h ALA 62 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 2dk2 h ALA 62 Cb 1.28 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2dk2 h ALA 62 CO 0.06 0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.81 2dk2 h VAL 63 N -0.99 0.77 -0.76 0.00 2.07 -1.01 0.83 116.25 117.15 2dk2 h VAL 63 Ca -0.17 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.21 2dk2 h VAL 63 Cb 1.15 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2dk2 h VAL 63 CO -0.10 0.07 0.52 0.50 0.02 0.00 0.00 177.57 178.58 2dk2 h LYS 64 N -0.53 0.20 0.08 1.57 3.64 -1.62 0.23 116.57 120.13 2dk2 h LYS 64 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dk2 h LYS 64 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2dk2 h LYS 64 CO 0.06 0.13 -0.04 0.00 -2.27 0.00 0.00 179.45 177.33 2dk2 h ALA 65 N 1.64 -0.10 -0.59 5.00 0.00 -1.50 -3.32 119.26 120.39 2dk2 h ALA 65 Ca 0.37 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.33 2dk2 h ALA 65 Cb 1.16 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2dk2 h ALA 65 CO -0.07 -0.11 0.41 1.98 0.00 0.00 0.00 179.25 181.46 2dk2 h MET 66 N -1.01 0.08 -0.71 0.00 1.85 -0.45 0.21 114.93 114.90 2dk2 h MET 66 Ca -0.01 -0.01 0.11 0.00 -0.61 0.00 0.00 59.70 59.18 2dk2 h MET 66 Cb 0.25 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 32.18 2dk2 h MET 66 CO 0.02 0.06 0.32 -0.44 -0.40 0.00 0.00 176.91 176.47 2dk2 h ASP 67 N 0.09 0.38 0.03 1.39 3.32 -0.65 0.15 116.42 121.12 2dk2 h ASP 67 Ca 0.28 0.08 -0.31 0.00 0.02 0.00 0.00 57.03 57.10 2dk2 h ASP 67 Cb 1.00 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 2dk2 h ASP 67 CO -0.03 0.20 -1.72 -0.62 -1.72 0.00 0.00 179.24 175.36 2dk2 n GLU 68 N -4.92 0.61 -0.13 3.56 -0.58 -0.40 -4.18 120.64 114.59 2dk2 n GLU 68 Ca 0.12 0.43 0.26 0.00 -0.42 0.00 0.00 57.16 57.55 2dk2 n GLU 68 Cb 0.32 -1.68 0.71 0.00 -0.57 0.00 0.00 31.44 30.22 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 -0.73 0.01 -5.54 3.49 2.86 -0.62 -3.40 114.93 111.00 2dk2 h MET 69 Ca -0.44 -0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.69 2dk2 h MET 69 Cb 1.54 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 2dk2 h MET 69 CO -0.19 0.00 1.63 -1.71 1.06 0.00 0.00 176.91 177.71 2dk2 n ASN 70 N -4.30 1.90 -0.43 1.22 4.05 0.54 -1.97 115.26 116.27 2dk2 n ASN 70 Ca 0.16 -0.20 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2dk2 n ASN 70 Cb 0.86 -1.40 0.00 0.00 1.23 0.00 0.00 39.78 40.48 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dk2 n GLY 71 N 6.17 0.56 3.84 8.20 0.00 -1.26 -5.03 105.19 117.67 2dk2 n GLY 71 Ca 0.44 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.25 2.23 -0.23 1.61 -0.14 -0.83 -5.06 119.74 116.08 2dk2 s LYS 72 Ca 0.00 -2.25 0.01 0.00 -1.36 0.00 0.00 55.97 52.37 2dk2 s LYS 72 Cb 0.00 -1.79 0.05 0.00 -1.68 0.00 0.00 37.83 34.41 2dk2 s LYS 72 CO 0.00 -0.52 -0.08 -2.00 -0.76 0.00 0.00 175.35 171.99 2dk2 s GLU 73 N -4.09 1.85 -0.18 1.68 2.12 -1.26 -3.29 118.70 115.53 2dk2 s GLU 73 Ca 0.17 -1.00 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 2dk2 s GLU 73 Cb -0.01 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.80 2dk2 s GLU 73 CO 0.11 -0.54 -0.13 0.42 -0.54 0.00 0.00 175.26 174.57 2dk2 s ILE 74 N 1.35 2.72 -1.44 -3.70 1.01 -1.08 -4.64 121.20 115.42 2dk2 s ILE 74 Ca -0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 2dk2 s ILE 74 Cb -0.18 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2dk2 s ILE 74 CO -0.07 0.50 1.00 1.21 0.00 0.00 0.00 174.94 177.58 2dk2 n GLU 75 N 4.35 -6.51 -2.02 2.79 0.00 -1.26 -1.07 120.64 116.93 2dk2 n GLU 75 Ca -0.19 0.76 -0.20 0.00 0.00 0.00 0.00 57.16 57.52 2dk2 n GLU 75 Cb 0.51 -5.72 -0.05 0.00 0.00 0.00 0.00 31.44 26.19 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 -1.80 0.66 3.07 8.31 0.00 -1.26 -4.97 105.19 109.21 2dk2 n GLY 76 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.42 2.10 -0.21 1.61 0.41 -0.23 -5.09 118.70 112.88 2dk2 s GLU 77 Ca 0.00 -0.54 -0.28 0.00 -0.41 0.00 0.00 54.97 53.73 2dk2 s GLU 77 Cb 0.00 -1.72 -0.05 0.00 -1.78 0.00 0.00 34.13 30.59 2dk2 s GLU 77 CO 0.00 0.02 2.04 -1.21 -0.49 0.00 0.00 175.26 175.63 2dk2 s GLU 78 N 0.72 3.38 -0.12 1.61 2.02 -1.26 -2.62 118.70 122.42 2dk2 s GLU 78 Ca -0.13 1.95 -0.06 0.00 0.02 0.00 0.00 54.97 56.76 2dk2 s GLU 78 Cb -0.16 -4.28 -0.04 0.00 0.10 0.00 0.00 34.13 29.76 2dk2 s GLU 78 CO 0.03 -1.82 0.10 0.96 0.02 0.00 0.00 175.26 174.55 2dk2 s ILE 79 N 7.19 5.15 0.19 -1.63 -5.25 -1.21 -4.71 121.20 120.93 2dk2 s ILE 79 Ca 0.92 0.08 0.08 0.00 -0.99 0.00 0.00 60.65 60.74 2dk2 s ILE 79 Cb -0.31 -3.24 -0.04 0.00 2.95 0.00 0.00 42.46 41.82 2dk2 s ILE 79 CO 0.35 0.60 -0.04 -1.61 -1.79 0.00 0.00 174.94 172.45 2dk2 s GLU 80 N -0.85 2.24 -0.03 0.37 8.01 -0.11 -4.07 118.70 124.26 2dk2 s GLU 80 Ca 0.14 -1.22 -0.02 0.00 0.01 0.00 0.00 54.97 53.88 2dk2 s GLU 80 Cb -0.12 -2.25 0.02 0.00 -4.31 0.00 0.00 34.13 27.48 2dk2 s GLU 80 CO 0.03 0.44 0.07 0.42 0.01 0.00 0.00 175.26 176.23 2dk2 s ILE 81 N -1.79 -0.03 0.01 -1.63 1.01 -1.26 -0.77 121.20 116.75 2dk2 s ILE 81 Ca 0.27 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 2dk2 s ILE 81 Cb -0.09 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.25 2dk2 s ILE 81 CO 0.17 0.05 0.11 0.68 0.00 0.00 0.00 174.94 175.95 2dk2 s VAL 82 N 0.68 0.10 0.04 2.92 -7.23 -0.12 -4.94 120.40 111.85 2dk2 s VAL 82 Ca -0.05 -0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 58.99 2dk2 s VAL 82 Cb -0.07 -0.54 -0.07 0.00 0.56 0.00 0.00 36.38 36.26 2dk2 s VAL 82 CO -0.03 -0.45 1.50 -0.76 -0.31 0.00 0.00 175.10 175.05 2dk2 s LEU 83 N -1.60 4.34 -0.23 1.32 1.43 -1.26 -1.48 118.68 121.20 2dk2 s LEU 83 Ca -0.12 2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 2dk2 s LEU 83 Cb -0.06 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2dk2 s LEU 83 CO -0.00 -0.78 0.60 0.00 0.23 0.00 0.00 176.35 176.40 2dk2 s ALA 84 N 2.34 3.58 0.40 4.21 0.00 -1.20 -4.87 121.76 126.22 2dk2 s ALA 84 Ca 0.68 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 2dk2 s ALA 84 Cb -0.36 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2dk2 s ALA 84 CO 0.29 -0.69 0.86 0.15 0.00 0.00 0.00 175.76 176.36 2dk2 s LYS 85 N 2.23 4.05 0.96 0.00 1.02 -1.26 -4.79 119.74 121.95 2dk2 s LYS 85 Ca 0.26 0.85 -0.12 0.00 0.02 0.00 0.00 55.97 56.98 2dk2 s LYS 85 Cb -0.16 -2.29 0.17 0.00 -0.52 0.00 0.00 37.83 35.03 2dk2 s LYS 85 CO 0.09 -0.00 1.09 -1.25 -0.92 0.00 0.00 175.35 174.36 2dk2 s PRO 86 N -3.33 0.73 0.60 -1.68 0.04 -1.26 -5.02 135.00 125.08 2dk2 s PRO 86 Ca 0.57 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 2dk2 s PRO 86 Cb -0.10 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2dk2 s PRO 86 CO 0.20 -2.56 1.12 -1.25 0.04 0.00 0.00 177.00 174.55 2dk2 s PRO 87 N -4.95 3.06 0.68 0.56 0.04 -1.26 -5.03 135.00 128.11 2dk2 s PRO 87 Ca 0.65 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2dk2 s PRO 87 Cb -0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2dk2 s PRO 87 CO 0.57 -1.06 1.06 -0.51 0.04 0.00 0.00 177.00 177.10 2dk2 s ASP 88 N -2.20 5.47 0.44 6.66 1.01 -1.26 -5.01 116.67 121.77 2dk2 s ASP 88 Ca 0.70 1.61 -0.24 0.00 0.71 0.00 0.00 52.55 55.33 2dk2 s ASP 88 Cb -0.22 -2.49 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 2dk2 s ASP 88 CO 0.35 -1.38 1.18 -0.54 0.21 0.00 0.00 175.17 174.99 2dk2 s LYS 89 N -5.01 3.87 0.25 8.23 3.01 -1.26 -4.97 119.74 123.86 2dk2 s LYS 89 Ca 0.58 1.84 -0.30 0.00 -1.01 0.00 0.00 55.97 57.08 2dk2 s LYS 89 Cb -0.14 -2.53 -0.10 0.00 -1.01 0.00 0.00 37.83 34.05 2dk2 s LYS 89 CO 0.54 -0.48 1.39 -1.59 0.51 0.00 0.00 175.35 175.72 2dk2 s LYS 90 N -2.52 4.31 0.44 1.68 -2.85 -1.26 -5.01 119.74 114.54 2dk2 s LYS 90 Ca 0.61 2.23 -0.10 0.00 -1.00 0.00 0.00 55.97 57.70 2dk2 s LYS 90 Cb -0.30 -3.12 -0.06 0.00 -2.06 0.00 0.00 37.83 32.28 2dk2 s LYS 90 CO 0.38 -0.34 0.81 0.50 0.10 0.00 0.00 175.35 176.79 2dk2 s ARG 91 N -0.52 3.73 -0.21 1.78 3.52 -1.26 -5.06 118.95 120.94 2dk2 s ARG 91 Ca 0.57 0.48 -0.14 0.00 -0.13 0.00 0.00 55.73 56.50 2dk2 s ARG 91 Cb -0.40 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 2dk2 s ARG 91 CO 0.43 -0.13 0.34 -1.12 -0.81 0.00 0.00 175.30 174.01 2dk2 s SER 92 N -3.41 6.35 0.32 -2.12 0.01 -1.26 -5.07 113.70 108.52 2dk2 s SER 92 Ca 0.51 0.41 0.05 0.00 1.31 0.00 0.00 55.95 58.23 2dk2 s SER 92 Cb -0.10 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2dk2 s SER 92 CO 0.36 -0.05 0.19 0.61 0.41 0.00 0.00 173.24 174.76 2dk2 n GLY 93 N 4.04 3.20 3.60 3.44 0.00 -1.26 -5.10 105.19 113.11 2dk2 n GLY 93 Ca -0.10 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.25 3.34 -0.04 1.61 0.04 -1.26 -4.99 135.00 130.45 2dk2 s PRO 94 Ca 0.27 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2dk2 s PRO 94 Cb 0.01 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2dk2 s PRO 94 CO 0.19 -1.85 0.07 -1.54 0.04 0.00 0.00 177.00 173.90 2dk2 s SER 95 N 5.73 5.66 0.17 6.66 1.04 -1.26 -5.11 113.70 126.59 2dk2 s SER 95 Ca 0.74 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 57.29 2dk2 s SER 95 Cb -0.20 -1.64 -0.06 0.00 0.10 0.00 0.00 66.02 64.22 2dk2 s SER 95 CO 0.32 0.31 0.43 -0.44 0.98 0.00 0.00 173.24 174.84 2dk2 s SER 96 N -1.47 6.53 0.00 7.02 0.01 -1.26 -5.34 113.70 119.19 2dk2 s SER 96 Ca 0.20 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2dk2 s SER 96 Cb -0.12 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dk2 s SER 96 CO 0.10 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.38