#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 6.46 0.06 1.61 1.04 -1.26 -5.08 113.70 116.54 2dk2 s SER 2 Ca 0.00 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.87 2dk2 s SER 2 Cb 0.00 -2.07 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2dk2 s SER 2 CO 0.00 0.07 0.41 -1.20 0.98 0.00 0.00 173.24 173.50 2dk2 n SER 3 N 0.11 -0.65 0.00 7.02 7.64 -1.26 -5.18 113.62 121.29 2dk2 n SER 3 Ca -0.03 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.52 2dk2 n SER 3 Cb 0.52 1.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 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 -0.29 2.19 3.59 0.23 0.00 -1.26 -5.19 105.19 104.46 2dk2 n GLY 4 Ca -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2dk2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk2 s SER 5 N 0.00 -0.39 -0.21 1.61 0.15 -1.26 -5.19 113.70 108.42 2dk2 s SER 5 Ca 0.00 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.15 2dk2 s SER 5 Cb 0.00 0.56 0.15 0.00 -1.71 0.00 0.00 66.02 65.02 2dk2 s SER 5 CO 0.00 -0.95 1.17 -0.55 1.20 0.00 0.00 173.24 174.10 2dk2 s SER 6 N -2.75 -0.21 0.43 5.45 0.15 -1.26 -5.13 113.70 110.38 2dk2 s SER 6 Ca 0.06 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dk2 s SER 6 Cb -0.02 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dk2 s SER 6 CO -0.05 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dk2 n GLY 7 N 0.51 1.02 3.24 9.45 0.00 -1.26 -4.92 105.19 113.24 2dk2 n GLY 7 Ca -0.05 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 1.90 0.02 1.61 1.11 -1.26 -5.07 116.67 110.97 2dk2 s ASP 8 Ca 0.00 -0.90 -0.22 0.00 0.18 0.00 0.00 52.55 51.60 2dk2 s ASP 8 Cb 0.00 -0.04 -0.17 0.00 1.07 0.00 0.00 42.92 43.78 2dk2 s ASP 8 CO 0.00 -0.23 1.32 1.55 1.18 0.00 0.00 175.17 178.98 2dk2 h PRO 9 N 3.16 0.22 -0.26 8.23 0.13 -2.02 -3.07 132.00 138.39 2dk2 h PRO 9 Ca -0.38 -0.12 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2dk2 h PRO 9 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2dk2 h PRO 9 CO 0.57 0.64 0.25 0.93 -0.23 0.00 0.00 178.00 180.16 2dk2 h GLU 10 N -0.19 0.00 0.04 0.86 5.08 -1.97 0.86 114.58 119.25 2dk2 h GLU 10 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dk2 h GLU 10 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dk2 h GLU 10 CO 0.02 0.00 -0.10 0.28 -1.00 0.00 0.00 179.01 178.21 2dk2 h VAL 11 N 0.00 0.00 0.09 3.13 2.07 -1.96 0.13 116.25 119.70 2dk2 h VAL 11 Ca 0.12 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.37 2dk2 h VAL 11 Cb 0.63 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2dk2 h VAL 11 CO -0.00 0.00 -1.17 0.24 0.02 0.00 0.00 177.57 176.66 2dk2 h MET 12 N -0.16 0.51 -0.53 1.57 2.86 -1.66 -3.22 114.93 114.30 2dk2 h MET 12 Ca -0.00 -0.67 0.15 0.00 -2.06 0.00 0.00 59.70 57.12 2dk2 h MET 12 Cb 0.15 0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2dk2 h MET 12 CO -0.05 1.28 0.43 0.00 1.06 0.00 0.00 176.91 179.63 2dk2 h ALA 13 N 0.46 2.40 -0.10 6.32 0.00 -0.84 0.15 119.26 127.65 2dk2 h ALA 13 Ca -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dk2 h ALA 13 Cb 1.84 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2dk2 h ALA 13 CO 0.21 -0.70 0.07 0.87 0.00 0.00 0.00 179.25 179.70 2dk2 h LYS 14 N 0.00 0.10 -6.60 0.00 1.79 -0.97 -3.42 116.57 107.47 2dk2 h LYS 14 Ca 0.25 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 58.19 2dk2 h LYS 14 Cb 1.11 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2dk2 h LYS 14 CO -0.00 0.06 0.61 0.08 -1.08 0.00 0.00 179.45 179.12 2dk2 s VAL 15 N -5.14 3.55 -0.09 0.50 1.01 0.53 -4.92 120.40 115.84 2dk2 s VAL 15 Ca -0.06 1.21 0.15 0.00 0.00 0.00 0.00 61.98 63.28 2dk2 s VAL 15 Cb 0.17 -3.77 0.31 0.00 0.00 0.00 0.00 36.38 33.09 2dk2 s VAL 15 CO 0.68 0.15 1.15 2.29 0.00 0.00 0.00 175.10 179.37 2dk2 n LYS 16 N 3.16 0.77 -3.83 2.72 2.85 -1.26 -4.77 118.16 117.80 2dk2 n LYS 16 Ca 0.07 -2.34 -0.14 0.00 -1.05 0.00 0.00 58.31 54.86 2dk2 n LYS 16 Cb 0.44 -0.92 -0.15 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 -1.63 -0.02 -0.09 0.58 1.01 -1.26 -4.34 120.40 114.64 2dk2 s VAL 17 Ca 0.28 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2dk2 s VAL 17 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.58 2dk2 s VAL 17 CO -0.06 0.05 0.02 -0.76 0.00 0.00 0.00 175.10 174.35 2dk2 s LEU 18 N 0.52 3.71 -0.56 3.92 1.43 -1.26 -2.83 118.68 123.60 2dk2 s LEU 18 Ca -0.04 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 2dk2 s LEU 18 Cb -0.06 -1.86 0.14 0.00 0.03 0.00 0.00 46.19 44.44 2dk2 s LEU 18 CO -0.01 0.37 0.45 0.12 0.23 0.00 0.00 176.35 177.51 2dk2 s PHE 19 N -0.84 3.46 -0.43 0.29 5.36 -0.44 -4.26 117.98 121.12 2dk2 s PHE 19 Ca 0.13 -1.94 -0.22 0.00 -0.96 0.00 0.00 56.93 53.93 2dk2 s PHE 19 Cb -0.12 -3.55 0.02 0.00 -0.34 0.00 0.00 43.02 39.04 2dk2 s PHE 19 CO 0.02 -0.98 0.72 0.08 -1.46 0.00 0.00 175.22 173.61 2dk2 s VAL 20 N 0.99 4.75 0.38 3.12 1.01 -1.24 -1.75 120.40 127.66 2dk2 s VAL 20 Ca 0.09 0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2dk2 s VAL 20 Cb -0.23 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2dk2 s VAL 20 CO -0.02 -0.61 0.45 -0.13 0.00 0.00 0.00 175.10 174.79 2dk2 s ARG 21 N 3.04 2.81 -0.56 2.72 0.52 -0.27 -1.09 118.95 126.12 2dk2 s ARG 21 Ca 0.27 -1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 54.10 2dk2 s ARG 21 Cb -0.13 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2dk2 s ARG 21 CO 0.20 -0.10 0.64 0.09 0.02 0.00 0.00 175.30 176.15 2dk2 n ASN 22 N -1.63 -7.55 -4.98 0.23 3.02 -1.10 -1.00 115.26 102.25 2dk2 n ASN 22 Ca 0.03 0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.55 2dk2 n ASN 22 Cb 0.60 -4.88 0.03 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.22 2.96 0.01 3.41 1.02 -0.09 -3.97 118.68 118.81 2dk2 s LEU 23 Ca 0.16 -0.99 -0.02 0.00 0.02 0.00 0.00 54.13 53.30 2dk2 s LEU 23 Cb -0.04 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 2dk2 s LEU 23 CO 0.78 -1.23 0.19 0.00 0.02 0.00 0.00 176.35 176.11 2dk2 s ALA 24 N -2.70 3.95 -0.15 4.21 0.00 -1.26 -5.01 121.76 120.81 2dk2 s ALA 24 Ca 0.51 -0.80 0.16 0.00 0.00 0.00 0.00 51.96 51.84 2dk2 s ALA 24 Cb -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2dk2 s ALA 24 CO 0.32 0.77 1.11 1.15 0.00 0.00 0.00 175.76 179.11 2dk2 h THR 25 N 2.60 0.61 0.00 0.00 2.02 -1.99 -3.32 112.91 112.83 2dk2 h THR 25 Ca -0.48 -2.00 -0.20 0.00 0.77 0.00 0.00 66.41 64.50 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 0.71 0.35 -0.95 0.71 0.37 0.00 0.00 175.52 176.70 2dk2 h THR 26 N 0.00 1.61 -4.19 3.16 1.35 -1.99 -3.46 112.91 109.39 2dk2 h THR 26 Ca -0.08 -3.28 -0.50 0.00 -0.55 0.00 0.00 66.41 62.00 2dk2 h THR 26 Cb 1.45 2.79 0.15 0.00 -1.73 0.00 0.00 68.15 70.81 2dk2 h THR 26 CO 0.05 0.92 0.27 0.68 -0.25 0.00 0.00 175.52 177.19 2dk2 s VAL 27 N -2.74 2.86 0.26 6.82 -7.23 -1.25 -5.07 120.40 114.05 2dk2 s VAL 27 Ca 0.01 0.28 0.06 0.00 -1.81 0.00 0.00 61.98 60.52 2dk2 s VAL 27 Cb 0.10 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 2dk2 s VAL 27 CO 0.81 -0.36 -0.05 0.28 -0.31 0.00 0.00 175.10 175.47 2dk2 s THR 28 N -2.85 1.48 0.57 5.32 -1.32 -1.26 -4.98 115.64 112.60 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 -2.38 0.38 0.00 -1.51 0.00 0.00 72.50 68.80 2dk2 s THR 28 CO 0.57 -0.34 2.01 -0.33 -2.21 0.00 0.00 174.62 174.32 2dk2 h GLU 29 N 2.36 0.00 0.12 7.08 5.08 -1.98 -1.58 114.58 125.65 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 30.48 2dk2 h GLU 29 CO 0.66 0.00 -0.06 1.49 -1.00 0.00 0.00 179.01 180.10 2dk2 h GLU 30 N 0.00 -0.16 -0.32 2.33 4.81 -1.98 -1.01 114.58 118.26 2dk2 h GLU 30 Ca 0.17 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2dk2 h GLU 30 Cb 0.84 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2dk2 h GLU 30 CO -0.00 0.13 0.20 0.82 -0.73 0.00 0.00 179.01 179.43 2dk2 h ILE 31 N -0.44 1.07 -0.19 2.32 2.04 -1.71 -0.86 117.51 119.73 2dk2 h ILE 31 Ca -0.02 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2dk2 h ILE 31 Cb 0.36 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2dk2 h ILE 31 CO 0.03 0.08 0.03 -0.07 0.00 0.00 0.00 178.15 178.21 2dk2 h LEU 32 N 0.41 0.24 -0.51 1.44 3.38 -1.45 0.26 115.31 119.09 2dk2 h LEU 32 Ca 0.12 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2dk2 h LEU 32 Cb -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2dk2 h LEU 32 CO -0.04 0.27 -0.48 -0.33 0.09 0.00 0.00 178.44 177.95 2dk2 h GLU 33 N 0.27 0.00 0.00 1.13 5.08 -0.47 -3.10 114.58 117.48 2dk2 h GLU 33 Ca 0.07 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2dk2 h GLU 33 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2dk2 h GLU 33 CO -0.00 0.48 -1.36 0.87 -1.00 0.00 0.00 179.01 178.01 2dk2 h LYS 34 N 0.00 0.00 -0.18 2.33 1.57 -0.09 -2.36 116.57 117.85 2dk2 h LYS 34 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2dk2 h LYS 34 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2dk2 h LYS 34 CO 0.06 0.33 -0.36 0.77 -0.57 0.00 0.00 179.45 179.68 2dk2 h SER 35 N 0.00 0.39 0.21 0.86 0.02 -0.50 -3.12 113.55 111.41 2dk2 h SER 35 Ca -0.16 -0.16 -0.34 0.00 -0.84 0.00 0.00 61.79 60.30 2dk2 h SER 35 Cb 1.60 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.98 2dk2 h SER 35 CO 0.05 0.73 -2.07 0.49 -1.14 0.00 0.00 176.83 174.89 2dk2 n PHE 36 N -4.06 0.61 0.05 3.45 3.72 -1.18 -4.15 117.46 115.90 2dk2 n PHE 36 Ca -0.01 0.19 0.20 0.00 -0.05 0.00 0.00 57.45 57.78 2dk2 n PHE 36 Cb 0.46 -1.10 0.73 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.01 0.00 0.08 4.37 0.02 -1.43 0.24 113.55 116.84 2dk2 h SER 37 Ca -0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2dk2 h SER 37 Cb 2.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.61 2dk2 h SER 37 CO 0.04 0.00 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.37 2dk2 h GLU 38 N 0.00 0.00 0.00 3.45 5.08 -1.70 -3.00 114.58 118.41 2dk2 h GLU 38 Ca 0.22 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2dk2 h GLU 38 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2dk2 h GLU 38 CO -0.00 0.04 -0.90 0.74 -1.00 0.00 0.00 179.01 177.89 2dk2 h PHE 39 N 0.00 0.00 -2.48 4.33 -1.00 -0.79 -3.50 116.94 113.51 2dk2 h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2dk2 h PHE 39 Cb 0.09 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.49 2dk2 h PHE 39 CO 0.00 1.23 0.26 0.20 -1.61 0.00 0.00 178.31 178.40 2dk2 s GLY 40 N -4.64 -0.56 -0.56 -1.45 0.00 -1.10 -5.06 107.32 93.96 2dk2 s GLY 40 Ca -0.25 0.94 -0.29 0.00 0.00 0.00 0.00 44.72 45.12 2dk2 s GLY 40 CO 0.57 0.51 2.43 1.17 0.00 0.00 0.00 173.10 177.78 2dk2 n LYS 41 N 0.15 0.88 -0.34 2.90 0.00 -1.26 -4.19 118.16 116.30 2dk2 n LYS 41 Ca -0.16 0.09 -0.29 0.00 0.00 0.00 0.00 58.31 57.94 2dk2 n LYS 41 Cb 0.61 -2.82 0.28 0.00 0.00 0.00 0.00 35.03 33.10 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 13.33 -1.02 -0.02 3.14 4.77 -1.26 -3.86 117.00 132.07 2dk2 n LEU 42 Ca 0.44 -0.59 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2dk2 n LEU 42 Cb 0.37 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2dk2 n LEU 42 CO 0.77 -4.08 -0.65 1.21 -1.33 0.00 0.00 177.39 173.31 2dk2 n GLU 43 N -5.29 0.10 -3.65 3.23 0.00 0.84 -4.69 120.64 111.18 2dk2 n GLU 43 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 57.16 57.27 2dk2 n GLU 43 Cb 0.57 -0.82 -0.07 0.00 0.00 0.00 0.00 31.44 31.12 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 -2.08 0.03 0.05 5.31 6.06 -1.23 -4.93 118.95 122.15 2dk2 s ARG 44 Ca -0.06 0.04 0.08 0.00 -2.50 0.00 0.00 55.73 53.29 2dk2 s ARG 44 Cb 0.02 0.01 -0.03 0.00 0.06 0.00 0.00 34.95 35.01 2dk2 s ARG 44 CO 0.09 -0.00 -0.23 0.08 -2.50 0.00 0.00 175.30 172.73 2dk2 s VAL 45 N 0.30 1.89 -0.01 7.11 1.01 -1.26 -0.69 120.40 128.76 2dk2 s VAL 45 Ca 0.03 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 2dk2 s VAL 45 Cb -0.04 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.71 2dk2 s VAL 45 CO -0.14 0.25 0.01 -0.75 0.00 0.00 0.00 175.10 174.47 2dk2 s LYS 46 N -1.29 -0.01 -0.63 2.72 2.47 -0.30 -4.98 119.74 117.73 2dk2 s LYS 46 Ca 0.10 0.06 -0.22 0.00 -1.56 0.00 0.00 55.97 54.35 2dk2 s LYS 46 Cb -0.09 -0.08 0.07 0.00 -1.46 0.00 0.00 37.83 36.27 2dk2 s LYS 46 CO 0.02 -0.05 0.90 0.21 0.16 0.00 0.00 175.35 176.59 2dk2 s LYS 47 N 0.34 3.13 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.60 2dk2 s LYS 47 Ca -0.03 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2dk2 s LYS 47 Cb -0.04 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.01 -1.70 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.71 2dk2 s LEU 48 N 3.76 2.59 0.00 5.43 2.01 -1.13 -5.03 118.68 126.32 2dk2 s LEU 48 Ca 0.21 -1.16 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 44.82 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 0.15 0.00 -2.87 0.00 0.00 58.31 55.46 2dk2 n LYS 49 Cb 0.44 0.00 0.76 0.00 -1.84 0.00 0.00 35.03 34.39 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 -4.86 4.39 5.19 -1.96 -3.43 116.42 115.75 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 -2.51 -1.62 -3.92 4.55 0.18 -1.14 -0.91 117.16 111.79 2dk2 n TYR 51 Ca -0.01 -1.10 -0.08 0.00 1.88 0.00 0.00 57.90 58.59 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 -0.03 -0.29 -3.48 0.00 -0.25 -2.85 121.76 112.49 2dk2 s ALA 52 Ca 0.20 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.44 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 0.13 -0.46 -0.05 -0.06 0.00 0.00 0.00 175.76 175.32 2dk2 s PHE 53 N -3.75 3.40 -0.01 0.00 0.08 -0.46 -3.66 117.98 113.58 2dk2 s PHE 53 Ca 0.04 -2.45 0.05 0.00 0.12 0.00 0.00 56.93 54.70 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 0.00 175.22 174.04 2dk2 s VAL 54 N 1.07 2.88 0.11 -0.44 1.01 -1.26 -1.14 120.40 122.64 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 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2dk2 s VAL 54 CO -0.05 0.50 -0.11 -1.00 0.00 0.00 0.00 175.10 174.44 2dk2 s HIS 55 N -0.79 2.71 0.16 5.22 3.76 0.14 -4.07 115.29 122.41 2dk2 s HIS 55 Ca 0.13 -0.18 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 2dk2 s HIS 55 Cb -0.11 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2dk2 s HIS 55 CO 0.02 0.43 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.10 2dk2 s PHE 56 N -1.26 1.85 0.57 1.40 0.40 -1.26 -0.11 117.98 119.56 2dk2 s PHE 56 Ca 0.21 -0.46 0.27 0.00 -0.60 0.00 0.00 56.93 56.36 2dk2 s PHE 56 Cb -0.11 -0.93 1.53 0.00 0.51 0.00 0.00 43.02 44.03 2dk2 s PHE 56 CO 0.14 0.34 2.03 0.93 0.70 0.00 0.00 175.22 179.35 2dk2 h GLU 57 N 3.28 0.00 0.00 0.44 4.39 -1.84 -3.45 114.58 117.40 2dk2 h GLU 57 Ca -0.43 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.29 2dk2 h GLU 57 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2dk2 h GLU 57 CO 0.50 0.00 0.24 -3.47 -1.16 0.00 0.00 179.01 175.12 2dk2 n ASP 58 N -3.96 -1.44 0.08 1.42 -0.08 -1.26 -5.05 116.55 106.27 2dk2 n ASP 58 Ca 0.05 -1.95 -0.10 0.00 -1.51 0.00 0.00 54.79 51.28 2dk2 n ASP 58 Cb 0.46 2.39 -0.05 0.00 2.34 0.00 0.00 41.12 46.26 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 0.21 0.00 -0.67 1.12 -1.87 -3.20 114.38 109.98 2dk2 h ARG 59 Ca -0.21 -0.27 -0.01 0.00 -1.11 0.00 0.00 59.98 58.38 2dk2 h ARG 59 Cb 0.82 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.86 2dk2 h ARG 59 CO 0.27 1.03 -0.06 0.78 -3.11 0.00 0.00 179.97 178.89 2dk2 h GLY 60 N 1.86 0.00 1.87 2.80 0.00 -1.95 0.49 103.07 108.14 2dk2 h GLY 60 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2dk2 h GLY 60 CO 0.15 0.00 -0.63 0.00 0.00 0.00 0.00 176.54 176.06 2dk2 h ALA 61 N 1.94 0.66 0.15 3.60 0.00 -1.97 -2.81 119.26 120.84 2dk2 h ALA 61 Ca -0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 2dk2 h ALA 61 Cb 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dk2 h ALA 61 CO 0.01 0.67 -1.14 0.00 0.00 0.00 0.00 179.25 178.79 2dk2 h ALA 62 N 1.48 -0.01 0.33 0.00 0.00 -1.28 -3.13 119.26 116.64 2dk2 h ALA 62 Ca -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 2dk2 h ALA 62 Cb 1.42 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2dk2 h ALA 62 CO 0.06 0.59 -0.16 0.28 0.00 0.00 0.00 179.25 180.02 2dk2 h VAL 63 N -0.25 0.65 -0.55 0.00 2.07 -1.06 0.21 116.25 117.32 2dk2 h VAL 63 Ca -0.22 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 66.89 2dk2 h VAL 63 Cb 1.78 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2dk2 h VAL 63 CO 0.14 0.10 0.39 0.50 0.02 0.00 0.00 177.57 178.73 2dk2 h LYS 64 N -0.78 0.01 0.00 1.57 3.64 -1.67 0.24 116.57 119.57 2dk2 h LYS 64 Ca -0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dk2 h LYS 64 Cb 0.51 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2dk2 h LYS 64 CO 0.07 0.01 -0.05 0.00 -2.27 0.00 0.00 179.45 177.21 2dk2 h ALA 65 N 1.73 0.00 -0.80 5.00 0.00 -1.47 -3.32 119.26 120.41 2dk2 h ALA 65 Ca 0.26 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.34 2dk2 h ALA 65 Cb 1.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2dk2 h ALA 65 CO -0.01 0.05 0.57 1.98 0.00 0.00 0.00 179.25 181.85 2dk2 h MET 66 N -0.74 0.00 0.05 0.00 1.85 -0.40 0.26 114.93 115.95 2dk2 h MET 66 Ca 0.00 -0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.10 2dk2 h MET 66 Cb 0.05 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 2dk2 h MET 66 CO 0.00 0.00 -0.13 -0.44 -0.40 0.00 0.00 176.91 175.94 2dk2 h ASP 67 N 0.00 -0.37 0.07 1.39 5.19 -0.65 0.99 116.42 123.04 2dk2 h ASP 67 Ca 0.38 0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.71 2dk2 h ASP 67 Cb 1.51 0.15 0.00 0.00 0.18 0.00 0.00 39.33 41.18 2dk2 h ASP 67 CO -0.01 -0.19 -0.61 -0.33 -3.12 0.00 0.00 179.24 174.99 2dk2 h GLU 68 N -0.25 0.14 -0.92 3.56 4.39 -1.29 -3.32 114.58 116.91 2dk2 h GLU 68 Ca 0.03 -0.25 0.20 0.00 0.34 0.00 0.00 59.36 59.68 2dk2 h GLU 68 Cb 0.28 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 2dk2 h GLU 68 CO -0.10 1.12 0.60 0.52 -1.16 0.00 0.00 179.01 179.99 2dk2 h MET 69 N -0.67 0.44 -5.65 2.33 2.86 -0.57 -3.40 114.93 110.27 2dk2 h MET 69 Ca -0.13 -0.03 -0.56 0.00 -2.06 0.00 0.00 59.70 56.93 2dk2 h MET 69 Cb 1.37 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 2dk2 h MET 69 CO 0.05 0.29 1.57 -1.71 1.06 0.00 0.00 176.91 178.17 2dk2 n ASN 70 N -4.54 1.85 -0.23 1.22 5.15 0.34 -1.38 115.26 117.67 2dk2 n ASN 70 Ca 0.20 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 2dk2 n ASN 70 Cb 0.68 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 6.33 0.81 3.80 8.20 0.00 -1.26 -5.01 105.19 118.05 2dk2 n GLY 71 Ca 0.45 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.34 2.49 -0.33 1.61 -0.14 -0.48 -5.08 119.74 116.48 2dk2 s LYS 72 Ca 0.00 -1.50 -0.00 0.00 -1.36 0.00 0.00 55.97 53.11 2dk2 s LYS 72 Cb 0.00 -2.28 0.08 0.00 -1.68 0.00 0.00 37.83 33.94 2dk2 s LYS 72 CO 0.00 0.02 0.04 -2.00 -0.76 0.00 0.00 175.35 172.65 2dk2 s GLU 73 N -3.95 2.09 -0.17 1.68 2.12 -1.26 -3.64 118.70 115.57 2dk2 s GLU 73 Ca 0.41 -1.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.16 2dk2 s GLU 73 Cb -0.03 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2dk2 s GLU 73 CO 0.25 -0.79 -0.05 0.42 -0.54 0.00 0.00 175.26 174.55 2dk2 s ILE 74 N 1.13 3.65 -1.38 -3.70 1.01 -1.11 -4.56 121.20 116.24 2dk2 s ILE 74 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2dk2 s ILE 74 Cb -0.20 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.71 2dk2 s ILE 74 CO -0.04 0.48 0.56 1.21 0.00 0.00 0.00 174.94 177.14 2dk2 n GLU 75 N 3.87 -4.01 -1.94 2.79 4.07 -1.26 -0.12 120.64 124.04 2dk2 n GLU 75 Ca -0.18 0.62 -0.19 0.00 -0.06 0.00 0.00 57.16 57.35 2dk2 n GLU 75 Cb 0.52 -5.39 -0.05 0.00 -0.06 0.00 0.00 31.44 26.46 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 -1.32 0.78 3.22 8.31 0.00 -1.26 -4.98 105.19 109.95 2dk2 n GLY 76 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.26 2.32 -0.61 1.61 0.41 0.83 -5.07 118.70 113.92 2dk2 s GLU 77 Ca 0.00 -0.81 -0.27 0.00 -0.41 0.00 0.00 54.97 53.49 2dk2 s GLU 77 Cb 0.00 -1.97 -0.02 0.00 -1.78 0.00 0.00 34.13 30.37 2dk2 s GLU 77 CO 0.00 0.33 1.79 -1.21 -0.49 0.00 0.00 175.26 175.68 2dk2 s GLU 78 N -0.08 2.72 -0.04 1.61 2.02 -1.26 -2.76 118.70 120.91 2dk2 s GLU 78 Ca -0.04 0.55 -0.18 0.00 0.02 0.00 0.00 54.97 55.32 2dk2 s GLU 78 Cb -0.13 -4.35 -0.05 0.00 0.10 0.00 0.00 34.13 29.69 2dk2 s GLU 78 CO 0.03 -2.63 0.51 0.96 0.02 0.00 0.00 175.26 174.16 2dk2 s ILE 79 N 8.60 5.03 0.18 -1.63 -5.25 -1.24 -4.76 121.20 122.13 2dk2 s ILE 79 Ca 0.64 1.05 0.06 0.00 -0.99 0.00 0.00 60.65 61.41 2dk2 s ILE 79 Cb -0.12 -3.84 -0.04 0.00 2.95 0.00 0.00 42.46 41.41 2dk2 s ILE 79 CO 0.21 0.43 0.09 -0.70 -1.79 0.00 0.00 174.94 173.17 2dk2 s GLU 80 N -0.14 2.71 -0.04 0.37 2.12 -0.17 -4.33 118.70 119.22 2dk2 s GLU 80 Ca 0.27 -0.99 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 2dk2 s GLU 80 Cb -0.17 -2.52 0.03 0.00 0.26 0.00 0.00 34.13 31.73 2dk2 s GLU 80 CO 0.14 0.46 0.09 0.42 -0.54 0.00 0.00 175.26 175.84 2dk2 s ILE 81 N -1.79 -0.04 -0.06 -3.70 1.01 -1.26 -1.12 121.20 114.24 2dk2 s ILE 81 Ca 0.30 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.03 2dk2 s ILE 81 Cb -0.09 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.23 2dk2 s ILE 81 CO 0.22 0.06 0.19 0.68 0.00 0.00 0.00 174.94 176.09 2dk2 s VAL 82 N 0.89 0.02 0.04 2.92 -7.23 -0.71 -4.99 120.40 111.33 2dk2 s VAL 82 Ca -0.07 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 2dk2 s VAL 82 Cb -0.10 -0.32 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 2dk2 s VAL 82 CO -0.04 -0.07 1.89 -0.76 -0.31 0.00 0.00 175.10 175.81 2dk2 s LEU 83 N -0.20 4.41 -0.65 1.32 1.43 -1.26 -1.32 118.68 122.41 2dk2 s LEU 83 Ca -0.03 2.62 -0.24 0.00 -1.03 0.00 0.00 54.13 55.45 2dk2 s LEU 83 Cb -0.03 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.71 2dk2 s LEU 83 CO 0.01 -1.02 1.03 0.00 0.23 0.00 0.00 176.35 176.60 2dk2 s ALA 84 N 4.05 3.04 0.46 4.21 0.00 -1.13 -4.86 121.76 127.53 2dk2 s ALA 84 Ca 0.84 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2dk2 s ALA 84 Cb -0.42 -3.92 -0.10 0.00 0.00 0.00 0.00 23.12 18.68 2dk2 s ALA 84 CO 0.39 -2.79 0.97 -1.59 0.00 0.00 0.00 175.76 172.74 2dk2 s LYS 85 N 4.42 4.11 0.96 0.00 -2.85 -1.26 -4.68 119.74 120.44 2dk2 s LYS 85 Ca 0.27 1.09 -0.12 0.00 -1.00 0.00 0.00 55.97 56.22 2dk2 s LYS 85 Cb -0.14 -2.16 0.17 0.00 -2.06 0.00 0.00 37.83 33.64 2dk2 s LYS 85 CO 0.14 -0.13 1.09 -1.25 0.10 0.00 0.00 175.35 175.30 2dk2 s PRO 86 N -3.44 0.73 0.47 1.78 0.04 -1.26 -4.94 135.00 128.39 2dk2 s PRO 86 Ca 0.62 0.64 0.31 0.00 0.04 0.00 0.00 61.00 62.60 2dk2 s PRO 86 Cb -0.10 -1.76 1.30 0.00 0.04 0.00 0.00 34.50 33.98 2dk2 s PRO 86 CO 0.19 -2.56 1.92 -1.00 0.04 0.00 0.00 177.00 175.59 2dk2 h PRO 87 N -1.77 0.00 -3.06 0.56 0.13 -2.07 -3.49 132.00 122.31 2dk2 h PRO 87 Ca -0.53 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 64.98 2dk2 h PRO 87 Cb 1.31 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 2dk2 h PRO 87 CO 0.56 0.00 -0.51 -0.25 -0.23 0.00 0.00 178.00 177.58 2dk2 n ASP 88 N -2.86 -8.14 -4.45 1.44 9.92 -1.26 -4.43 116.55 106.78 2dk2 n ASP 88 Ca 0.01 0.55 -0.44 0.00 -0.53 0.00 0.00 54.79 54.39 2dk2 n ASP 88 Cb 0.28 -4.15 -0.03 0.00 -0.64 0.00 0.00 41.12 36.57 2dk2 n ASP 88 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dk2 s LYS 89 N -2.19 3.43 -0.33 -1.24 -0.14 -1.26 -5.00 119.74 113.00 2dk2 s LYS 89 Ca 0.00 -1.47 -0.19 0.00 -1.36 0.00 0.00 55.97 52.95 2dk2 s LYS 89 Cb 0.00 -4.69 -0.01 0.00 -1.68 0.00 0.00 37.83 31.46 2dk2 s LYS 89 CO 0.00 -1.77 0.57 0.21 -0.76 0.00 0.00 175.35 173.60 2dk2 s LYS 90 N 3.09 3.73 0.59 1.68 2.47 -1.26 -5.06 119.74 124.98 2dk2 s LYS 90 Ca 0.28 0.03 0.06 0.00 -1.56 0.00 0.00 55.97 54.79 2dk2 s LYS 90 Cb -0.09 -3.78 0.11 0.00 -1.46 0.00 0.00 37.83 32.60 2dk2 s LYS 90 CO -0.03 -0.63 0.82 -2.13 0.16 0.00 0.00 175.35 173.54 2dk2 n ARG 91 N 5.84 0.41 -5.08 4.03 0.63 -1.26 -5.12 116.66 116.11 2dk2 n ARG 91 Ca -0.03 -2.85 -0.30 0.00 -0.92 0.00 0.00 57.85 53.75 2dk2 n ARG 91 Cb 0.49 -0.35 -0.17 0.00 0.45 0.00 0.00 32.46 32.88 2dk2 n ARG 91 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2dk2 s SER 92 N -4.55 2.79 0.42 6.15 0.01 -1.26 -5.14 113.70 112.11 2dk2 s SER 92 Ca 0.59 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2dk2 s SER 92 Cb -0.04 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 65.02 2dk2 s SER 92 CO 0.38 0.14 0.51 0.61 0.41 0.00 0.00 173.24 175.29 2dk2 n GLY 93 N 3.53 2.19 3.69 3.44 0.00 -1.26 -5.11 105.19 111.66 2dk2 n GLY 93 Ca -0.20 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.84 0.74 -0.03 1.61 0.04 -1.26 -5.02 135.00 127.24 2dk2 s PRO 94 Ca 0.39 0.63 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2dk2 s PRO 94 Cb -0.03 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2dk2 s PRO 94 CO 0.25 -2.55 -0.02 0.45 0.04 0.00 0.00 177.00 175.17 2dk2 n SER 95 N -4.07 3.96 -2.74 6.66 2.88 -1.26 -5.11 113.62 113.95 2dk2 n SER 95 Ca 0.06 -0.01 -0.02 0.00 -1.33 0.00 0.00 58.87 57.57 2dk2 n SER 95 Cb 0.56 0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 2dk2 n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk2 n SER 96 N -2.45 -5.54 0.00 -3.46 7.64 -1.26 -5.38 113.62 103.17 2dk2 n SER 96 Ca -0.05 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2dk2 n SER 96 Cb 0.56 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64