#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 -0.40 -4.17 1.61 2.88 -1.26 -5.16 113.62 107.13 2dk2 n SER 2 Ca 0.00 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.53 2dk2 n SER 2 Cb 0.00 0.77 -0.10 0.00 -0.75 0.00 0.00 64.21 64.13 2dk2 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk2 s SER 3 N -2.00 0.65 -0.96 -3.46 0.01 -1.26 -4.90 113.70 101.78 2dk2 s SER 3 Ca 0.00 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 2dk2 s SER 3 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dk2 s SER 3 CO 0.00 -0.64 0.81 0.61 0.41 0.00 0.00 173.24 174.43 2dk2 n GLY 4 N -0.10 -0.19 3.64 3.44 0.00 -1.26 -5.02 105.19 105.71 2dk2 n GLY 4 Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.91 -0.29 -0.18 1.61 1.04 -1.26 -5.15 113.70 105.56 2dk2 s SER 5 Ca 0.09 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.03 2dk2 s SER 5 Cb -0.04 0.81 0.03 0.00 0.10 0.00 0.00 66.02 66.92 2dk2 s SER 5 CO 0.57 -0.08 -0.14 -0.44 0.98 0.00 0.00 173.24 174.12 2dk2 s SER 6 N 0.66 3.08 0.00 7.02 0.01 -1.26 -5.01 113.70 118.20 2dk2 s SER 6 Ca -0.02 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2dk2 s SER 6 Cb -0.04 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.90 2dk2 s SER 6 CO -0.12 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dk2 n GLY 7 N 4.69 -1.98 3.86 3.44 0.00 -1.26 -4.97 105.19 108.97 2dk2 n GLY 7 Ca -0.17 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.55 6.42 0.01 1.61 1.11 -1.26 -5.01 116.67 115.99 2dk2 s ASP 8 Ca 0.00 1.38 -0.23 0.00 0.18 0.00 0.00 52.55 53.87 2dk2 s ASP 8 Cb 0.00 -2.44 -0.18 0.00 1.07 0.00 0.00 42.92 41.38 2dk2 s ASP 8 CO 0.00 -0.67 1.30 1.55 1.18 0.00 0.00 175.17 178.53 2dk2 h PRO 9 N 0.41 0.16 -0.34 8.23 0.13 -2.02 -3.07 132.00 135.50 2dk2 h PRO 9 Ca -0.46 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 64.69 2dk2 h PRO 9 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2dk2 h PRO 9 CO 0.62 0.60 0.32 0.93 -0.23 0.00 0.00 178.00 180.25 2dk2 h GLU 10 N -0.27 0.00 0.01 0.86 4.39 -1.95 0.12 114.58 117.73 2dk2 h GLU 10 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dk2 h GLU 10 Cb 0.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2dk2 h GLU 10 CO 0.02 0.00 -0.01 0.28 -1.16 0.00 0.00 179.01 178.13 2dk2 h VAL 11 N 0.00 0.00 -0.04 3.13 2.07 -1.94 -1.32 116.25 118.16 2dk2 h VAL 11 Ca 0.16 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.49 2dk2 h VAL 11 Cb 0.81 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2dk2 h VAL 11 CO -0.00 0.00 -0.81 0.24 0.02 0.00 0.00 177.57 177.02 2dk2 h MET 12 N -0.02 0.33 -0.44 1.57 2.86 -1.65 -3.12 114.93 114.46 2dk2 h MET 12 Ca -0.00 -0.31 0.13 0.00 -2.06 0.00 0.00 59.70 57.46 2dk2 h MET 12 Cb 0.02 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2dk2 h MET 12 CO -0.00 0.98 0.39 0.00 1.06 0.00 0.00 176.91 179.34 2dk2 h ALA 13 N 0.92 2.23 0.24 6.32 0.00 -0.76 -2.76 119.26 125.45 2dk2 h ALA 13 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dk2 h ALA 13 Cb 1.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2dk2 h ALA 13 CO 0.13 -0.62 -0.12 -0.22 0.00 0.00 0.00 179.25 178.43 2dk2 h LYS 14 N 0.00 -0.31 -6.56 0.00 3.64 -1.16 -3.44 116.57 108.73 2dk2 h LYS 14 Ca 0.21 0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 59.02 2dk2 h LYS 14 Cb 0.99 0.07 0.11 0.00 -0.41 0.00 0.00 32.23 33.00 2dk2 h LYS 14 CO -0.00 -0.21 0.25 1.55 -2.27 0.00 0.00 179.45 178.77 2dk2 n VAL 15 N -2.97 2.01 -2.13 2.00 3.14 -1.04 -4.92 118.33 114.42 2dk2 n VAL 15 Ca -0.04 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.89 2dk2 n VAL 15 Cb 0.13 -1.18 0.10 0.00 -1.06 0.00 0.00 33.84 31.83 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 0.66 0.70 -4.03 1.45 2.85 -1.26 -5.00 118.16 113.52 2dk2 n LYS 16 Ca 0.08 -2.57 -0.31 0.00 -1.05 0.00 0.00 58.31 54.46 2dk2 n LYS 16 Cb 0.33 -0.70 -0.16 0.00 -0.65 0.00 0.00 35.03 33.86 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 -1.40 1.79 -0.00 0.58 1.01 -1.26 -4.19 120.40 116.93 2dk2 s VAL 17 Ca 0.36 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 2dk2 s VAL 17 Cb 0.38 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2dk2 s VAL 17 CO -0.13 0.25 0.57 -0.76 0.00 0.00 0.00 175.10 175.03 2dk2 s LEU 18 N 1.34 4.42 -0.61 3.92 1.43 -1.26 -2.73 118.68 125.20 2dk2 s LEU 18 Ca -0.00 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 2dk2 s LEU 18 Cb -0.16 -2.87 0.15 0.00 0.03 0.00 0.00 46.19 43.34 2dk2 s LEU 18 CO -0.09 0.13 0.56 0.12 0.23 0.00 0.00 176.35 177.30 2dk2 s PHE 19 N -0.32 3.41 -0.39 0.29 5.36 -0.13 -4.24 117.98 121.97 2dk2 s PHE 19 Ca 0.30 -1.56 -0.24 0.00 -0.96 0.00 0.00 56.93 54.47 2dk2 s PHE 19 Cb -0.18 -3.77 0.01 0.00 -0.34 0.00 0.00 43.02 38.75 2dk2 s PHE 19 CO 0.17 -1.01 0.81 0.08 -1.46 0.00 0.00 175.22 173.81 2dk2 s VAL 20 N 1.15 4.68 0.42 3.12 1.01 -1.24 -1.40 120.40 128.14 2dk2 s VAL 20 Ca 0.08 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.97 2dk2 s VAL 20 Cb -0.24 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2dk2 s VAL 20 CO -0.01 -0.52 0.45 -0.13 0.00 0.00 0.00 175.10 174.89 2dk2 s ARG 21 N 3.23 2.62 -0.58 2.72 0.52 0.30 -0.97 118.95 126.79 2dk2 s ARG 21 Ca 0.32 -1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 53.94 2dk2 s ARG 21 Cb -0.13 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.86 2dk2 s ARG 21 CO 0.19 -0.24 0.64 0.09 0.02 0.00 0.00 175.30 175.99 2dk2 n ASN 22 N -1.67 -6.98 -5.01 0.23 4.13 -1.13 -0.72 115.26 104.11 2dk2 n ASN 22 Ca 0.05 0.02 -0.20 0.00 1.68 0.00 0.00 54.58 56.12 2dk2 n ASN 22 Cb 0.61 -4.10 0.05 0.00 -1.54 0.00 0.00 39.78 34.80 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 -3.30 3.08 0.03 3.41 1.02 -0.10 -3.86 118.68 118.96 2dk2 s LEU 23 Ca 0.17 -0.88 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2dk2 s LEU 23 Cb -0.03 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 2dk2 s LEU 23 CO 0.80 -1.26 0.11 0.00 0.02 0.00 0.00 176.35 176.02 2dk2 s ALA 24 N -2.66 3.66 -0.15 4.21 0.00 -1.26 -5.01 121.76 120.55 2dk2 s ALA 24 Ca 0.57 -0.90 0.16 0.00 0.00 0.00 0.00 51.96 51.79 2dk2 s ALA 24 Cb -0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 2dk2 s ALA 24 CO 0.36 0.73 1.18 1.15 0.00 0.00 0.00 175.76 179.18 2dk2 h THR 25 N 2.85 0.67 0.00 0.00 2.02 -1.99 -3.31 112.91 113.16 2dk2 h THR 25 Ca -0.48 -2.06 -0.21 0.00 0.77 0.00 0.00 66.41 64.43 2dk2 h THR 25 Cb 1.17 2.22 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 2dk2 h THR 25 CO 0.66 0.38 -0.99 0.71 0.37 0.00 0.00 175.52 176.65 2dk2 h THR 26 N 0.00 1.71 -4.22 3.16 1.35 -1.99 -3.46 112.91 109.47 2dk2 h THR 26 Ca -0.07 -3.38 -0.50 0.00 -0.55 0.00 0.00 66.41 61.91 2dk2 h THR 26 Cb 1.44 2.82 0.14 0.00 -1.73 0.00 0.00 68.15 70.83 2dk2 h THR 26 CO 0.05 0.96 0.29 0.68 -0.25 0.00 0.00 175.52 177.25 2dk2 s VAL 27 N -2.74 3.01 0.28 6.82 -7.23 -1.25 -5.07 120.40 114.23 2dk2 s VAL 27 Ca 0.01 0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.58 2dk2 s VAL 27 Cb 0.10 -2.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 2dk2 s VAL 27 CO 0.82 -0.43 -0.06 0.28 -0.31 0.00 0.00 175.10 175.40 2dk2 s THR 28 N -2.90 1.67 0.56 5.32 -1.32 -1.26 -4.97 115.64 112.75 2dk2 s THR 28 Ca 0.62 -2.13 0.26 0.00 -1.21 0.00 0.00 61.69 59.23 2dk2 s THR 28 Cb -0.18 -2.47 0.36 0.00 -1.51 0.00 0.00 72.50 68.70 2dk2 s THR 28 CO 0.57 -0.29 2.07 -0.33 -2.21 0.00 0.00 174.62 174.43 2dk2 h GLU 29 N 2.26 0.00 -0.06 7.08 5.08 -1.98 -1.65 114.58 125.30 2dk2 h GLU 29 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2dk2 h GLU 29 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2dk2 h GLU 29 CO 0.67 0.00 0.01 1.49 -1.00 0.00 0.00 179.01 180.19 2dk2 h GLU 30 N 0.00 0.09 0.02 2.33 4.81 -1.99 -2.33 114.58 117.51 2dk2 h GLU 30 Ca 0.13 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2dk2 h GLU 30 Cb 0.61 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2dk2 h GLU 30 CO -0.00 0.31 -0.01 0.82 -0.73 0.00 0.00 179.01 179.40 2dk2 h ILE 31 N -0.14 1.04 -0.26 2.32 2.04 -1.72 -0.62 117.51 120.16 2dk2 h ILE 31 Ca 0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2dk2 h ILE 31 Cb 0.26 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2dk2 h ILE 31 CO 0.00 0.05 0.28 -0.07 0.00 0.00 0.00 178.15 178.41 2dk2 h LEU 32 N -0.11 0.00 0.00 1.44 3.38 -1.46 -1.41 115.31 117.15 2dk2 h LEU 32 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2dk2 h LEU 32 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2dk2 h LEU 32 CO 0.01 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 178.05 2dk2 h GLU 33 N 0.00 0.00 -0.34 1.13 5.08 -0.81 -3.29 114.58 116.35 2dk2 h GLU 33 Ca 0.13 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2dk2 h GLU 33 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2dk2 h GLU 33 CO -0.00 0.78 0.33 0.87 -1.00 0.00 0.00 179.01 179.98 2dk2 h LYS 34 N -1.00 0.00 0.00 2.33 1.57 -0.52 0.23 116.57 119.18 2dk2 h LYS 34 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dk2 h LYS 34 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2dk2 h LYS 34 CO -0.02 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.31 2dk2 n SER 35 N -3.91 0.00 0.25 0.86 2.88 -0.59 -2.99 113.62 110.14 2dk2 n SER 35 Ca 0.05 0.78 0.08 0.00 -1.33 0.00 0.00 58.87 58.45 2dk2 n SER 35 Cb 0.49 -0.43 0.62 0.00 -0.75 0.00 0.00 64.21 64.14 2dk2 n SER 35 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2dk2 h PHE 36 N 0.00 0.00 -0.71 0.66 0.04 -1.58 -1.84 116.94 113.51 2dk2 h PHE 36 Ca 0.00 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 2dk2 h PHE 36 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2dk2 h PHE 36 CO 0.14 0.03 0.48 1.03 -0.60 0.00 0.00 178.31 179.39 2dk2 h SER 37 N 0.00 0.34 0.28 2.17 0.87 -0.59 0.25 113.55 116.86 2dk2 h SER 37 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2dk2 h SER 37 Cb 0.06 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dk2 h SER 37 CO 0.00 0.18 -0.13 -0.33 -0.53 0.00 0.00 176.83 176.03 2dk2 h GLU 38 N 0.36 0.00 0.00 2.24 5.08 -1.22 -3.07 114.58 117.96 2dk2 h GLU 38 Ca 0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2dk2 h GLU 38 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2dk2 h GLU 38 CO -0.10 0.13 -0.38 0.74 -1.00 0.00 0.00 179.01 178.40 2dk2 h PHE 39 N 0.00 0.00 -3.06 4.33 -1.00 -0.66 -3.49 116.94 113.05 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 0.30 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.76 2dk2 h PHE 39 CO 0.00 1.02 0.18 0.20 -1.61 0.00 0.00 178.31 178.10 2dk2 s GLY 40 N -4.35 -0.40 -0.38 -1.45 0.00 -0.85 -5.02 107.32 94.87 2dk2 s GLY 40 Ca -0.20 0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 2dk2 s GLY 40 CO 0.59 0.02 2.34 0.28 0.00 0.00 0.00 173.10 176.33 2dk2 n LYS 41 N -0.39 1.41 -0.84 2.90 4.76 -1.26 -4.14 118.16 120.60 2dk2 n LYS 41 Ca -0.13 0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 2dk2 n LYS 41 Cb 0.63 -3.32 0.23 0.00 -1.84 0.00 0.00 35.03 30.73 2dk2 n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dk2 s LEU 42 N 10.52 0.71 -0.06 -0.35 1.43 -1.26 -3.23 118.68 126.44 2dk2 s LEU 42 Ca 1.00 1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 2dk2 s LEU 42 Cb -0.27 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2dk2 s LEU 42 CO 0.31 -4.04 -0.08 1.21 0.23 0.00 0.00 176.35 173.98 2dk2 n GLU 43 N -4.77 0.14 -3.65 1.70 2.13 0.83 -4.62 120.64 112.40 2dk2 n GLU 43 Ca 0.07 0.05 -0.02 0.00 0.66 0.00 0.00 57.16 57.92 2dk2 n GLU 43 Cb 0.57 -0.80 -0.06 0.00 0.27 0.00 0.00 31.44 31.42 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 -2.12 0.03 0.09 5.31 6.06 -1.23 -4.94 118.95 122.15 2dk2 s ARG 44 Ca -0.09 0.03 0.08 0.00 -2.50 0.00 0.00 55.73 53.25 2dk2 s ARG 44 Cb 0.03 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 35.02 2dk2 s ARG 44 CO 0.12 -0.01 -0.20 0.08 -2.50 0.00 0.00 175.30 172.79 2dk2 s VAL 45 N -0.37 1.66 -0.05 7.11 1.01 -1.26 -0.64 120.40 127.87 2dk2 s VAL 45 Ca 0.08 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 2dk2 s VAL 45 Cb -0.03 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2dk2 s VAL 45 CO -0.13 -0.04 0.12 -0.75 0.00 0.00 0.00 175.10 174.30 2dk2 s LYS 46 N -1.80 0.12 -0.63 2.72 2.47 -0.32 -4.98 119.74 117.30 2dk2 s LYS 46 Ca 0.06 0.23 -0.22 0.00 -1.56 0.00 0.00 55.97 54.48 2dk2 s LYS 46 Cb -0.10 -0.02 0.07 0.00 -1.46 0.00 0.00 37.83 36.32 2dk2 s LYS 46 CO 0.04 -0.07 0.92 0.21 0.16 0.00 0.00 175.35 176.61 2dk2 s LYS 47 N 0.45 3.13 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.71 2dk2 s LYS 47 Ca -0.03 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2dk2 s LYS 47 Cb -0.05 -4.21 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.02 -1.73 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.67 2dk2 s LEU 48 N 3.85 2.59 0.00 5.43 2.01 -1.14 -5.03 118.68 126.40 2dk2 s LEU 48 Ca 0.22 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2dk2 s LEU 48 Cb -0.17 -1.20 0.00 0.00 0.01 0.00 0.00 46.19 44.83 2dk2 s LEU 48 CO 0.11 -0.23 0.00 0.29 1.01 0.00 0.00 176.35 177.53 2dk2 n LYS 49 N 4.66 0.00 0.21 1.70 4.76 -1.26 -2.90 118.16 125.33 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.46 2dk2 n LYS 49 Cb 0.44 0.00 0.74 0.00 -1.84 0.00 0.00 35.03 34.37 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dk2 h ASP 50 N 0.00 0.00 -4.83 4.39 5.19 -1.97 -3.43 116.42 115.77 2dk2 h ASP 50 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 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 -2.49 -1.62 -3.94 4.55 0.18 -1.14 -0.92 117.16 111.77 2dk2 n TYR 51 Ca -0.01 -1.08 -0.08 0.00 1.88 0.00 0.00 57.90 58.61 2dk2 n TYR 51 Cb 0.07 -0.23 -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 -2.36 0.04 -0.29 -3.48 0.00 -0.14 -2.87 121.76 112.66 2dk2 s ALA 52 Ca 0.20 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2dk2 s ALA 52 Cb -0.02 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.56 2dk2 s ALA 52 CO 0.13 -0.44 -0.05 -0.06 0.00 0.00 0.00 175.76 175.34 2dk2 s PHE 53 N -3.75 3.40 0.03 0.00 0.08 -0.45 -3.67 117.98 113.62 2dk2 s PHE 53 Ca 0.05 -2.44 0.06 0.00 0.12 0.00 0.00 56.93 54.72 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 -0.16 0.08 -0.10 0.00 0.00 175.22 174.05 2dk2 s VAL 54 N 1.07 2.96 0.22 -0.44 1.01 -1.26 -1.18 120.40 122.78 2dk2 s VAL 54 Ca -0.03 -1.10 0.11 0.00 0.00 0.00 0.00 61.98 60.96 2dk2 s VAL 54 Cb -0.20 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2dk2 s VAL 54 CO -0.05 0.35 -0.19 -1.00 0.00 0.00 0.00 175.10 174.20 2dk2 s HIS 55 N -0.94 2.37 0.22 5.22 3.76 0.19 -4.10 115.29 122.01 2dk2 s HIS 55 Ca 0.15 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 2dk2 s HIS 55 Cb -0.11 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 2dk2 s HIS 55 CO 0.06 0.57 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.35 2dk2 s PHE 56 N -1.94 1.73 -0.37 1.40 0.40 -1.26 -0.12 117.98 117.82 2dk2 s PHE 56 Ca 0.25 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 2dk2 s PHE 56 Cb -0.07 -0.89 0.59 0.00 0.51 0.00 0.00 43.02 43.16 2dk2 s PHE 56 CO 0.13 0.28 1.67 0.39 0.70 0.00 0.00 175.22 178.38 2dk2 n GLU 57 N -0.43 2.79 -3.44 0.44 -0.58 -1.20 -4.73 120.64 113.50 2dk2 n GLU 57 Ca -0.07 -2.49 0.03 0.00 -0.42 0.00 0.00 57.16 54.21 2dk2 n GLU 57 Cb 0.62 -2.02 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 2dk2 n GLU 57 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dk2 n ASP 58 N -0.36 -0.75 -0.08 1.62 8.00 -1.26 -5.04 116.55 118.68 2dk2 n ASP 58 Ca 0.39 -1.05 -0.07 0.00 0.71 0.00 0.00 54.79 54.77 2dk2 n ASP 58 Cb 1.30 1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 43.52 2dk2 n ASP 58 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2dk2 n ARG 59 N -0.70 0.48 -0.06 -1.24 0.00 -1.26 -4.25 116.66 109.63 2dk2 n ARG 59 Ca 0.04 0.47 0.22 0.00 -0.00 0.00 0.00 57.85 58.58 2dk2 n ARG 59 Cb 0.41 -1.64 0.69 0.00 0.00 0.00 0.00 32.46 31.92 2dk2 n ARG 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2dk2 h GLY 60 N -1.00 0.04 1.29 5.14 0.00 -1.98 0.50 103.07 107.05 2dk2 h GLY 60 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2dk2 h GLY 60 CO -0.02 0.00 0.44 0.00 0.00 0.00 0.00 176.54 176.96 2dk2 h ALA 61 N 1.68 1.57 0.09 3.60 0.00 -1.96 0.16 119.26 124.41 2dk2 h ALA 61 Ca 0.30 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 2dk2 h ALA 61 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2dk2 h ALA 61 CO -0.01 0.38 -1.53 0.00 0.00 0.00 0.00 179.25 178.09 2dk2 h ALA 62 N 1.60 0.26 0.84 0.00 0.00 -1.14 -3.20 119.26 117.62 2dk2 h ALA 62 Ca 0.26 -1.19 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 2dk2 h ALA 62 Cb -0.02 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dk2 h ALA 62 CO -0.06 0.93 -0.40 0.28 0.00 0.00 0.00 179.25 179.99 2dk2 h VAL 63 N -0.35 0.00 -0.89 0.00 2.07 -1.07 0.21 116.25 116.22 2dk2 h VAL 63 Ca -0.34 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.26 2dk2 h VAL 63 Cb 1.73 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2dk2 h VAL 63 CO 0.01 0.00 0.57 0.50 0.02 0.00 0.00 177.57 178.67 2dk2 h LYS 64 N -1.19 0.69 0.55 1.57 3.64 -0.89 0.13 116.57 121.07 2dk2 h LYS 64 Ca -0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2dk2 h LYS 64 Cb 0.87 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2dk2 h LYS 64 CO 0.19 0.46 -0.27 0.00 -2.27 0.00 0.00 179.45 177.56 2dk2 h ALA 65 N 1.60 -0.83 -0.29 5.00 0.00 -1.51 -3.10 119.26 120.13 2dk2 h ALA 65 Ca 0.44 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2dk2 h ALA 65 Cb 0.68 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dk2 h ALA 65 CO -0.20 -0.78 0.29 1.98 0.00 0.00 0.00 179.25 180.54 2dk2 h MET 66 N -1.06 0.00 -0.74 0.00 1.85 -0.30 0.17 114.93 114.86 2dk2 h MET 66 Ca -0.08 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.04 2dk2 h MET 66 Cb 0.57 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.56 2dk2 h MET 66 CO 0.12 0.00 0.47 0.22 -0.40 0.00 0.00 176.91 177.33 2dk2 h ASP 67 N 0.00 0.80 0.02 1.39 1.82 -0.68 -0.48 116.42 119.29 2dk2 h ASP 67 Ca 0.14 -0.01 -0.31 0.00 -0.39 0.00 0.00 57.03 56.46 2dk2 h ASP 67 Cb 0.71 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.50 2dk2 h ASP 67 CO -0.00 0.56 -1.70 -0.62 -1.61 0.00 0.00 179.24 175.87 2dk2 n GLU 68 N -4.61 0.61 -0.18 0.28 -0.58 -0.36 -4.21 120.64 111.59 2dk2 n GLU 68 Ca 0.08 0.44 0.23 0.00 -0.42 0.00 0.00 57.16 57.49 2dk2 n GLU 68 Cb 0.06 -1.68 0.63 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.76 0.17 -5.80 3.49 2.86 -0.78 -3.41 114.93 110.70 2dk2 h MET 69 Ca -0.44 -0.01 -0.60 0.00 -2.06 0.00 0.00 59.70 56.58 2dk2 h MET 69 Cb 1.53 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2dk2 h MET 69 CO -0.19 0.11 1.51 -1.71 1.06 0.00 0.00 176.91 177.68 2dk2 n ASN 70 N -4.39 2.03 -0.45 1.22 5.15 -0.19 -1.63 115.26 117.00 2dk2 n ASN 70 Ca 0.17 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2dk2 n ASN 70 Cb 0.80 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dk2 n GLY 71 N 6.38 0.62 3.85 8.20 0.00 -1.26 -5.02 105.19 117.95 2dk2 n GLY 71 Ca 0.43 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 2.38 -0.28 1.61 -0.14 -0.65 -5.04 119.74 115.69 2dk2 s LYS 72 Ca 0.00 -1.74 0.03 0.00 -1.36 0.00 0.00 55.97 52.90 2dk2 s LYS 72 Cb 0.00 -2.20 0.08 0.00 -1.68 0.00 0.00 37.83 34.02 2dk2 s LYS 72 CO 0.00 -0.28 -0.03 -2.00 -0.76 0.00 0.00 175.35 172.28 2dk2 s GLU 73 N -4.11 1.75 -0.29 1.68 2.12 -1.26 -3.10 118.70 115.49 2dk2 s GLU 73 Ca 0.43 -1.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.27 2dk2 s GLU 73 Cb -0.01 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 2dk2 s GLU 73 CO 0.25 -0.72 0.12 0.42 -0.54 0.00 0.00 175.26 174.78 2dk2 s ILE 74 N 1.14 4.40 -1.70 -3.70 1.01 -1.08 -4.44 121.20 116.82 2dk2 s ILE 74 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2dk2 s ILE 74 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2dk2 s ILE 74 CO -0.08 0.15 0.00 1.21 0.00 0.00 0.00 174.94 176.22 2dk2 n GLU 75 N 4.94 -1.58 -2.10 2.79 4.07 -1.26 -1.60 120.64 125.90 2dk2 n GLU 75 Ca -0.15 0.96 -0.09 0.00 -0.06 0.00 0.00 57.16 57.83 2dk2 n GLU 75 Cb 0.50 -5.57 -0.01 0.00 -0.06 0.00 0.00 31.44 26.30 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 -1.02 0.08 3.02 8.31 0.00 -1.26 -5.02 105.19 109.29 2dk2 n GLY 76 Ca -0.24 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.33 1.90 -0.51 1.61 0.41 -0.63 -5.08 118.70 112.08 2dk2 s GLU 77 Ca 0.00 -0.45 -0.26 0.00 -0.41 0.00 0.00 54.97 53.85 2dk2 s GLU 77 Cb 0.00 -1.65 -0.05 0.00 -1.78 0.00 0.00 34.13 30.65 2dk2 s GLU 77 CO 0.00 -0.06 2.19 -1.21 -0.49 0.00 0.00 175.26 175.68 2dk2 s GLU 78 N 0.99 2.38 -0.04 1.61 2.02 -1.26 -2.64 118.70 121.76 2dk2 s GLU 78 Ca -0.08 1.17 -0.16 0.00 0.02 0.00 0.00 54.97 55.92 2dk2 s GLU 78 Cb -0.15 -4.49 -0.05 0.00 0.10 0.00 0.00 34.13 29.54 2dk2 s GLU 78 CO -0.01 -2.98 0.44 0.96 0.02 0.00 0.00 175.26 173.69 2dk2 s ILE 79 N 10.73 5.07 0.18 -1.63 -5.25 -1.18 -4.71 121.20 124.41 2dk2 s ILE 79 Ca 0.86 0.89 0.05 0.00 -0.99 0.00 0.00 60.65 61.47 2dk2 s ILE 79 Cb -0.16 -3.76 -0.04 0.00 2.95 0.00 0.00 42.46 41.45 2dk2 s ILE 79 CO 0.25 0.49 0.17 -0.70 -1.79 0.00 0.00 174.94 173.35 2dk2 s GLU 80 N -0.45 2.97 -0.07 0.37 2.56 0.10 -4.09 118.70 120.10 2dk2 s GLU 80 Ca 0.24 -0.88 -0.03 0.00 0.00 0.00 0.00 54.97 54.31 2dk2 s GLU 80 Cb -0.16 -2.66 0.04 0.00 2.00 0.00 0.00 34.13 33.35 2dk2 s GLU 80 CO 0.12 0.47 0.13 0.42 -0.56 0.00 0.00 175.26 175.84 2dk2 s ILE 81 N -1.83 -0.21 -0.01 -3.70 1.01 -1.26 -0.54 121.20 114.66 2dk2 s ILE 81 Ca 0.32 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.34 2dk2 s ILE 81 Cb -0.10 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2dk2 s ILE 81 CO 0.24 0.15 -0.03 0.68 0.00 0.00 0.00 174.94 175.99 2dk2 s VAL 82 N 2.19 0.25 -0.19 2.92 -7.23 -0.50 -4.96 120.40 112.89 2dk2 s VAL 82 Ca 0.03 -0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 2dk2 s VAL 82 Cb -0.12 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 2dk2 s VAL 82 CO -0.05 0.10 2.05 -0.76 -0.31 0.00 0.00 175.10 176.13 2dk2 s LEU 83 N 0.24 3.68 0.64 1.32 1.43 -1.26 -0.96 118.68 123.78 2dk2 s LEU 83 Ca -0.02 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.83 2dk2 s LEU 83 Cb -0.05 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2dk2 s LEU 83 CO -0.01 -1.69 1.20 0.00 0.23 0.00 0.00 176.35 176.09 2dk2 s ALA 84 N 7.09 2.40 0.38 4.21 0.00 -1.11 -4.90 121.76 129.84 2dk2 s ALA 84 Ca 0.92 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.66 2dk2 s ALA 84 Cb -0.32 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 2dk2 s ALA 84 CO 0.35 -1.42 0.83 -1.59 0.00 0.00 0.00 175.76 173.93 2dk2 s LYS 85 N -3.59 4.03 0.96 0.00 0.00 -1.26 -4.88 119.74 115.00 2dk2 s LYS 85 Ca 0.76 0.79 -0.12 0.00 0.00 0.00 0.00 55.97 57.40 2dk2 s LYS 85 Cb -0.29 -2.32 0.17 0.00 0.00 0.00 0.00 37.83 35.38 2dk2 s LYS 85 CO 0.38 0.03 1.09 -1.25 0.00 0.00 0.00 175.35 175.60 2dk2 s PRO 86 N -3.28 0.71 0.43 1.78 0.04 -1.26 -5.00 135.00 128.42 2dk2 s PRO 86 Ca 0.56 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 2dk2 s PRO 86 Cb -0.10 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2dk2 s PRO 86 CO 0.20 -2.57 1.17 -1.25 0.04 0.00 0.00 177.00 174.59 2dk2 s PRO 87 N -4.95 3.90 0.48 0.56 0.04 -1.26 -4.83 135.00 128.94 2dk2 s PRO 87 Ca 0.65 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2dk2 s PRO 87 Cb -0.18 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dk2 s PRO 87 CO 0.57 -0.44 0.00 -3.47 0.04 0.00 0.00 177.00 173.70 2dk2 n ASP 88 N -0.20 -7.92 -3.54 6.66 -0.08 -1.26 -4.99 116.55 105.21 2dk2 n ASP 88 Ca 0.06 1.33 0.00 0.00 -1.51 0.00 0.00 54.79 54.67 2dk2 n ASP 88 Cb 0.47 -3.76 -0.06 0.00 2.34 0.00 0.00 41.12 40.12 2dk2 n ASP 88 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2dk2 s LYS 89 N -1.94 0.24 -0.26 -0.67 -0.14 -1.26 -5.12 119.74 110.59 2dk2 s LYS 89 Ca 0.00 0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 54.79 2dk2 s LYS 89 Cb 0.00 0.13 -0.03 0.00 -1.68 0.00 0.00 37.83 36.25 2dk2 s LYS 89 CO 0.00 -0.06 1.86 0.15 -0.76 0.00 0.00 175.35 176.54 2dk2 s LYS 90 N 1.58 3.44 -0.01 1.68 1.02 -1.26 -4.96 119.74 121.23 2dk2 s LYS 90 Ca -0.06 1.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.50 2dk2 s LYS 90 Cb -0.03 -4.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.09 2dk2 s LYS 90 CO -0.14 -1.74 0.21 0.50 -0.92 0.00 0.00 175.35 173.26 2dk2 s ARG 91 N 5.53 0.54 -0.29 1.68 3.52 -1.26 -5.14 118.95 123.53 2dk2 s ARG 91 Ca 0.83 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 2dk2 s ARG 91 Cb -0.26 0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.44 2dk2 s ARG 91 CO 0.34 -0.13 -0.02 -1.12 -0.81 0.00 0.00 175.30 173.55 2dk2 s SER 92 N -1.23 4.45 0.00 -2.12 0.01 -1.26 -5.06 113.70 108.49 2dk2 s SER 92 Ca -0.13 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.44 2dk2 s SER 92 Cb -0.06 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2dk2 s SER 92 CO 0.02 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dk2 n GLY 93 N 4.43 -2.34 3.67 3.44 0.00 -1.26 -5.11 105.19 108.02 2dk2 n GLY 93 Ca -0.05 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.93 4.21 0.13 1.61 0.04 -1.26 -4.95 135.00 132.84 2dk2 s PRO 94 Ca 0.00 2.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 2dk2 s PRO 94 Cb 0.00 -3.84 0.08 0.00 0.04 0.00 0.00 34.50 30.78 2dk2 s PRO 94 CO 0.00 -0.76 1.11 -1.12 0.04 0.00 0.00 177.00 176.27 2dk2 s SER 95 N 2.69 -0.01 0.77 6.66 0.01 -1.26 -5.16 113.70 117.40 2dk2 s SER 95 Ca 0.67 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2dk2 s SER 95 Cb -0.30 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2dk2 s SER 95 CO 0.25 -0.79 0.00 -1.20 0.41 0.00 0.00 173.24 171.91 2dk2 n SER 96 N -1.12 -6.02 0.00 2.44 7.64 -1.26 -5.25 113.62 110.05 2dk2 n SER 96 Ca -0.02 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2dk2 n SER 96 Cb 0.59 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64