#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 -0.12 -0.30 1.61 1.04 -1.26 -5.08 113.70 109.60 2dk2 s SER 2 Ca 0.00 0.86 -0.17 0.00 0.48 0.00 0.00 55.95 57.12 2dk2 s SER 2 Cb 0.00 -1.24 0.19 0.00 0.10 0.00 0.00 66.02 65.07 2dk2 s SER 2 CO 0.00 -4.79 1.20 -0.55 0.98 0.00 0.00 173.24 170.08 2dk2 s SER 3 N -3.33 -0.18 0.00 7.02 0.15 -1.26 -5.18 113.70 110.92 2dk2 s SER 3 Ca 0.69 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2dk2 s SER 3 Cb -0.13 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2dk2 s SER 3 CO 0.58 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2dk2 n GLY 4 N 3.83 2.04 3.72 9.45 0.00 -1.26 -5.07 105.19 117.90 2dk2 n GLY 4 Ca -0.13 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 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 6.81 -0.70 1.61 0.15 -1.26 -4.99 113.70 115.33 2dk2 s SER 5 Ca 0.00 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2dk2 s SER 5 Cb 0.00 -2.34 0.37 0.00 -1.71 0.00 0.00 66.02 62.35 2dk2 s SER 5 CO 0.00 -0.03 1.64 -1.54 1.20 0.00 0.00 173.24 174.51 2dk2 n SER 6 N 3.63 6.38 -0.27 5.45 3.41 -1.26 -5.06 113.62 125.91 2dk2 n SER 6 Ca -0.05 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.78 2dk2 n SER 6 Cb 0.51 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2dk2 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk2 n GLY 7 N -0.49 -0.85 3.87 5.00 0.00 -1.26 -4.84 105.19 106.62 2dk2 n GLY 7 Ca 0.47 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 6.41 0.01 1.61 1.01 -1.26 -5.01 116.67 115.44 2dk2 s ASP 8 Ca 0.00 1.30 -0.23 0.00 0.71 0.00 0.00 52.55 54.34 2dk2 s ASP 8 Cb 0.00 -2.41 -0.17 0.00 1.01 0.00 0.00 42.92 41.36 2dk2 s ASP 8 CO 0.00 -0.63 1.31 1.55 0.21 0.00 0.00 175.17 177.61 2dk2 h PRO 9 N 0.48 0.21 -0.29 8.23 0.13 -2.02 -3.07 132.00 135.67 2dk2 h PRO 9 Ca -0.46 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.64 0.29 0.93 -0.23 0.00 0.00 178.00 180.25 2dk2 h GLU 10 N -0.21 0.00 0.01 0.86 5.08 -1.95 0.42 114.58 118.78 2dk2 h GLU 10 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dk2 h GLU 10 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dk2 h GLU 10 CO 0.02 0.00 -0.02 0.28 -1.00 0.00 0.00 179.01 178.29 2dk2 h VAL 11 N 0.00 0.00 -0.07 3.13 2.07 -1.94 -1.59 116.25 117.85 2dk2 h VAL 11 Ca 0.14 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.47 2dk2 h VAL 11 Cb 0.72 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2dk2 h VAL 11 CO -0.00 0.00 -0.75 0.24 0.02 0.00 0.00 177.57 177.08 2dk2 h MET 12 N -0.03 0.39 -0.80 1.57 2.86 -1.66 -3.12 114.93 114.14 2dk2 h MET 12 Ca -0.00 -0.33 0.23 0.00 -2.06 0.00 0.00 59.70 57.54 2dk2 h MET 12 Cb 0.03 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2dk2 h MET 12 CO -0.01 0.98 0.58 0.00 1.06 0.00 0.00 176.91 179.52 2dk2 h ALA 13 N 0.93 2.75 -0.26 6.32 0.00 -0.90 0.22 119.26 128.32 2dk2 h ALA 13 Ca -0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2dk2 h ALA 13 Cb 1.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dk2 h ALA 13 CO 0.13 -0.99 -0.46 -0.22 0.00 0.00 0.00 179.25 177.71 2dk2 h LYS 14 N 0.00 0.68 -6.45 0.00 3.11 -1.22 -3.45 116.57 109.25 2dk2 h LYS 14 Ca 0.38 -0.38 -0.62 0.00 -2.81 0.00 0.00 60.65 57.22 2dk2 h LYS 14 Cb 1.54 0.02 0.08 0.00 -1.00 0.00 0.00 32.23 32.87 2dk2 h LYS 14 CO -0.00 0.99 0.48 0.28 -2.81 0.00 0.00 179.45 178.39 2dk2 n VAL 15 N -4.01 0.72 -1.91 2.00 0.31 0.77 -4.89 118.33 111.32 2dk2 n VAL 15 Ca -0.02 -0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.17 2dk2 n VAL 15 Cb 0.56 -1.17 0.09 0.00 -0.91 0.00 0.00 33.84 32.41 2dk2 n VAL 15 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2dk2 n LYS 16 N 2.13 0.65 -4.40 5.55 2.85 -1.26 -4.69 118.16 118.98 2dk2 n LYS 16 Ca 0.14 -2.24 -0.20 0.00 -1.05 0.00 0.00 58.31 54.97 2dk2 n LYS 16 Cb 0.27 -0.80 -0.15 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.36 0.78 -0.25 0.58 1.01 -1.26 -4.09 120.40 115.80 2dk2 s VAL 17 Ca 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2dk2 s VAL 17 Cb 0.28 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2dk2 s VAL 17 CO -0.07 0.23 -0.03 -0.76 0.00 0.00 0.00 175.10 174.46 2dk2 s LEU 18 N -0.08 3.22 -0.76 3.92 1.43 -1.26 -2.96 118.68 122.19 2dk2 s LEU 18 Ca 0.01 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2dk2 s LEU 18 Cb -0.05 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.50 2dk2 s LEU 18 CO -0.00 -0.11 1.16 0.12 0.23 0.00 0.00 176.35 177.75 2dk2 s PHE 19 N 1.40 2.54 -0.43 0.29 5.36 -0.42 -4.34 117.98 122.37 2dk2 s PHE 19 Ca 0.02 -0.46 -0.21 0.00 -0.96 0.00 0.00 56.93 55.32 2dk2 s PHE 19 Cb -0.16 -4.48 0.02 0.00 -0.34 0.00 0.00 43.02 38.06 2dk2 s PHE 19 CO -0.03 -1.84 0.65 0.08 -1.46 0.00 0.00 175.22 172.62 2dk2 s VAL 20 N 4.73 4.82 0.37 3.12 1.01 -1.24 -1.61 120.40 131.60 2dk2 s VAL 20 Ca 0.31 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.55 2dk2 s VAL 20 Cb -0.10 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2dk2 s VAL 20 CO 0.08 -0.58 0.43 -0.13 0.00 0.00 0.00 175.10 174.90 2dk2 s ARG 21 N 2.85 2.82 -0.63 2.72 0.52 0.08 -1.23 118.95 126.09 2dk2 s ARG 21 Ca 0.23 -1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.12 2dk2 s ARG 21 Cb -0.14 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.72 2dk2 s ARG 21 CO 0.19 -0.07 0.66 0.09 0.02 0.00 0.00 175.30 176.19 2dk2 n ASN 22 N -1.60 -7.69 -4.94 0.23 3.02 -1.14 -0.74 115.26 102.40 2dk2 n ASN 22 Ca 0.02 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.46 2dk2 n ASN 22 Cb 0.60 -5.11 0.00 0.00 -0.61 0.00 0.00 39.78 34.66 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 -3.51 3.07 0.05 3.41 1.02 -0.23 -3.96 118.68 118.53 2dk2 s LEU 23 Ca 0.10 -0.94 -0.04 0.00 0.02 0.00 0.00 54.13 53.27 2dk2 s LEU 23 Cb -0.03 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.49 2dk2 s LEU 23 CO 0.77 -1.01 0.26 0.00 0.02 0.00 0.00 176.35 176.38 2dk2 s ALA 24 N -2.63 3.90 -0.14 4.21 0.00 -1.26 -5.01 121.76 120.83 2dk2 s ALA 24 Ca 0.47 -0.68 0.17 0.00 0.00 0.00 0.00 51.96 51.91 2dk2 s ALA 24 Cb -0.04 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.05 2dk2 s ALA 24 CO 0.29 0.72 1.06 1.15 0.00 0.00 0.00 175.76 178.97 2dk2 h THR 25 N 2.54 0.58 0.00 0.00 2.02 -1.99 -3.31 112.91 112.75 2dk2 h THR 25 Ca -0.48 -1.99 -0.09 0.00 0.77 0.00 0.00 66.41 64.63 2dk2 h THR 25 Cb 1.18 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2dk2 h THR 25 CO 0.71 0.33 -0.43 0.71 0.37 0.00 0.00 175.52 177.21 2dk2 h THR 26 N 0.00 0.83 -4.35 3.16 1.35 -1.99 -3.45 112.91 108.45 2dk2 h THR 26 Ca -0.09 -1.86 -0.50 0.00 -0.55 0.00 0.00 66.41 63.40 2dk2 h THR 26 Cb 1.47 2.19 0.09 0.00 -1.73 0.00 0.00 68.15 70.16 2dk2 h THR 26 CO 0.05 0.42 0.38 0.68 -0.25 0.00 0.00 175.52 176.80 2dk2 s VAL 27 N -3.25 3.84 0.30 6.82 -7.23 -1.25 -5.09 120.40 114.54 2dk2 s VAL 27 Ca 0.02 0.60 0.04 0.00 -1.81 0.00 0.00 61.98 60.83 2dk2 s VAL 27 Cb 0.09 -3.43 -0.06 0.00 0.56 0.00 0.00 36.38 33.54 2dk2 s VAL 27 CO 0.71 -0.78 0.02 0.28 -0.31 0.00 0.00 175.10 175.02 2dk2 s THR 28 N -3.15 1.26 0.55 5.32 -1.32 -1.26 -4.98 115.64 112.07 2dk2 s THR 28 Ca 0.58 -2.03 0.27 0.00 -1.21 0.00 0.00 61.69 59.30 2dk2 s THR 28 Cb -0.13 -2.63 0.40 0.00 -1.51 0.00 0.00 72.50 68.63 2dk2 s THR 28 CO 0.54 -0.14 1.97 -0.33 -2.21 0.00 0.00 174.62 174.46 2dk2 h GLU 29 N 2.22 0.00 0.27 7.08 5.08 -1.98 -1.54 114.58 125.71 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 30.49 2dk2 h GLU 29 CO 0.68 0.00 -0.13 1.49 -1.00 0.00 0.00 179.01 180.05 2dk2 h GLU 30 N 0.00 -0.35 -0.01 2.33 4.81 -1.99 -0.40 114.58 118.97 2dk2 h GLU 30 Ca 0.24 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2dk2 h GLU 30 Cb 1.05 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 2dk2 h GLU 30 CO -0.00 -0.09 0.01 0.82 -0.73 0.00 0.00 179.01 179.01 2dk2 h ILE 31 N -0.58 1.06 -0.59 2.32 2.04 -1.71 -1.53 117.51 118.52 2dk2 h ILE 31 Ca -0.04 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2dk2 h ILE 31 Cb 0.42 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2dk2 h ILE 31 CO 0.06 0.05 0.39 -0.07 0.00 0.00 0.00 178.15 178.58 2dk2 h LEU 32 N -0.05 0.51 -0.29 1.44 3.38 -1.40 0.12 115.31 119.03 2dk2 h LEU 32 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2dk2 h LEU 32 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dk2 h LEU 32 CO -0.00 0.34 -0.14 -0.33 0.09 0.00 0.00 178.44 178.39 2dk2 h GLU 33 N 0.59 0.60 0.00 1.13 5.08 -0.64 -2.96 114.58 118.38 2dk2 h GLU 33 Ca 0.25 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2dk2 h GLU 33 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2dk2 h GLU 33 CO -0.07 0.84 -0.34 0.87 -1.00 0.00 0.00 179.01 179.30 2dk2 h LYS 34 N 0.35 0.00 -0.74 2.33 1.57 -0.53 0.24 116.57 119.78 2dk2 h LYS 34 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2dk2 h LYS 34 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2dk2 h LYS 34 CO 0.04 0.34 0.23 0.77 -0.57 0.00 0.00 179.45 180.26 2dk2 h SER 35 N 0.00 1.08 0.23 0.86 0.02 -0.63 -2.93 113.55 112.18 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 0.86 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2dk2 h SER 35 CO 0.04 1.00 -2.05 0.49 -1.14 0.00 0.00 176.83 175.18 2dk2 n PHE 36 N -4.25 0.61 0.05 3.45 3.72 -1.15 -4.15 117.46 115.74 2dk2 n PHE 36 Ca 0.06 0.19 0.20 0.00 -0.05 0.00 0.00 57.45 57.86 2dk2 n PHE 36 Cb 0.23 -1.10 0.73 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.10 4.37 0.87 -0.51 0.24 113.55 118.62 2dk2 h SER 37 Ca -0.42 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 2dk2 h SER 37 Cb 2.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.04 2dk2 h SER 37 CO 0.05 0.00 -0.04 1.05 -0.53 0.00 0.00 176.83 177.35 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 4.11 -1.67 -2.94 114.58 116.32 2dk2 h GLU 38 Ca 0.22 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.57 2dk2 h GLU 38 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2dk2 h GLU 38 CO -0.00 0.04 -0.46 0.74 0.07 0.00 0.00 179.01 179.40 2dk2 h PHE 39 N 0.00 0.00 -2.56 2.06 -1.00 -0.78 -3.49 116.94 111.16 2dk2 h PHE 39 Ca -0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 2dk2 h PHE 39 Cb 0.10 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.53 2dk2 h PHE 39 CO 0.00 1.07 0.38 0.20 -1.61 0.00 0.00 178.31 178.35 2dk2 s GLY 40 N -4.40 -0.51 -0.36 -1.45 0.00 -1.11 -5.06 107.32 94.42 2dk2 s GLY 40 Ca -0.21 0.78 -0.34 0.00 0.00 0.00 0.00 44.72 44.96 2dk2 s GLY 40 CO 0.59 0.26 2.23 0.28 0.00 0.00 0.00 173.10 176.46 2dk2 n LYS 41 N -0.30 1.16 -1.01 2.90 4.76 -1.26 -4.29 118.16 120.11 2dk2 n LYS 41 Ca -0.12 0.30 -0.29 0.00 -2.87 0.00 0.00 58.31 55.33 2dk2 n LYS 41 Cb 0.63 -2.60 0.21 0.00 -1.84 0.00 0.00 35.03 31.44 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 7.82 1.06 -0.11 -0.35 1.43 -1.26 -3.84 118.68 123.43 2dk2 s LEU 42 Ca 1.09 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.20 2dk2 s LEU 42 Cb -0.76 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2dk2 s LEU 42 CO 0.46 -3.70 -0.13 1.21 0.23 0.00 0.00 176.35 174.42 2dk2 n GLU 43 N -4.53 0.24 -3.65 1.70 0.00 0.84 -4.73 120.64 110.51 2dk2 n GLU 43 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 57.16 57.32 2dk2 n GLU 43 Cb 0.58 -0.97 -0.07 0.00 0.00 0.00 0.00 31.44 30.98 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 -2.21 0.03 0.09 5.31 3.52 -1.23 -4.93 118.95 119.53 2dk2 s ARG 44 Ca -0.15 0.04 0.10 0.00 -0.13 0.00 0.00 55.73 55.59 2dk2 s ARG 44 Cb 0.05 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 2dk2 s ARG 44 CO 0.21 -0.00 -0.26 0.08 -0.81 0.00 0.00 175.30 174.52 2dk2 s VAL 45 N 0.44 2.12 -0.05 7.11 1.01 -1.26 -0.79 120.40 128.97 2dk2 s VAL 45 Ca 0.01 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 2dk2 s VAL 45 Cb -0.04 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2dk2 s VAL 45 CO -0.13 0.19 0.13 -0.75 0.00 0.00 0.00 175.10 174.54 2dk2 s LYS 46 N -1.65 0.13 -0.62 2.72 2.47 -0.33 -4.98 119.74 117.47 2dk2 s LYS 46 Ca 0.12 0.23 -0.22 0.00 -1.56 0.00 0.00 55.97 54.54 2dk2 s LYS 46 Cb -0.10 -0.01 0.07 0.00 -1.46 0.00 0.00 37.83 36.33 2dk2 s LYS 46 CO 0.04 -0.06 0.89 0.21 0.16 0.00 0.00 175.35 176.59 2dk2 s LYS 47 N 0.41 3.13 -0.23 4.03 2.20 -1.26 -1.36 119.74 126.66 2dk2 s LYS 47 Ca -0.03 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 2dk2 s LYS 47 Cb -0.04 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.14 2dk2 s LYS 47 CO -0.02 -1.68 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.72 2dk2 s LEU 48 N 3.71 2.60 0.00 5.43 2.01 -1.13 -5.03 118.68 126.27 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 44.82 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 4.66 0.00 0.21 1.70 4.76 -1.26 -2.89 118.16 125.34 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 34.40 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 -4.85 4.39 3.32 -1.96 -3.43 116.42 113.90 2dk2 h ASP 50 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 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 -2.52 -1.60 -3.91 4.55 0.18 -1.14 -1.07 117.16 111.64 2dk2 n TYR 51 Ca -0.02 -1.09 -0.09 0.00 1.88 0.00 0.00 57.90 58.59 2dk2 n TYR 51 Cb 0.07 -0.23 -0.08 0.00 -0.38 0.00 0.00 39.34 38.71 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 -0.06 -0.29 -3.48 0.00 -0.36 -2.85 121.76 112.35 2dk2 s ALA 52 Ca 0.20 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2dk2 s ALA 52 Cb -0.02 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2dk2 s ALA 52 CO 0.13 -0.44 -0.04 -0.06 0.00 0.00 0.00 175.76 175.35 2dk2 s PHE 53 N -3.62 3.40 -0.04 0.00 0.08 -0.46 -3.65 117.98 113.68 2dk2 s PHE 53 Ca 0.03 -2.40 0.05 0.00 0.12 0.00 0.00 56.93 54.74 2dk2 s PHE 53 Cb 0.04 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2dk2 s PHE 53 CO -0.09 -0.89 -0.20 0.08 -0.10 0.00 0.00 175.22 174.02 2dk2 s VAL 54 N 1.09 2.59 0.12 -0.44 1.01 -1.26 -1.19 120.40 122.32 2dk2 s VAL 54 Ca -0.03 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.12 2dk2 s VAL 54 Cb -0.20 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2dk2 s VAL 54 CO -0.05 0.58 -0.06 -1.00 0.00 0.00 0.00 175.10 174.57 2dk2 s HIS 55 N -0.59 2.80 0.16 5.22 3.76 0.03 -4.00 115.29 122.67 2dk2 s HIS 55 Ca 0.09 -0.13 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 2dk2 s HIS 55 Cb -0.11 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 2dk2 s HIS 55 CO 0.00 0.46 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.12 2dk2 s PHE 56 N -1.39 1.76 0.57 1.40 0.40 -1.26 -0.11 117.98 119.35 2dk2 s PHE 56 Ca 0.24 -0.49 0.27 0.00 -0.60 0.00 0.00 56.93 56.35 2dk2 s PHE 56 Cb -0.11 -0.88 1.50 0.00 0.51 0.00 0.00 43.02 44.05 2dk2 s PHE 56 CO 0.16 0.31 2.00 0.93 0.70 0.00 0.00 175.22 179.32 2dk2 h GLU 57 N 3.22 0.00 0.00 0.44 4.39 -1.85 -3.45 114.58 117.33 2dk2 h GLU 57 Ca -0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 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 0.52 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.90 2dk2 n ASP 58 N -4.00 -0.04 0.06 1.42 -0.08 -1.26 -5.05 116.55 107.60 2dk2 n ASP 58 Ca 0.06 -1.03 -0.12 0.00 -1.51 0.00 0.00 54.79 52.20 2dk2 n ASP 58 Cb 0.53 0.07 -0.13 0.00 2.34 0.00 0.00 41.12 43.92 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 0.12 0.10 -0.67 1.12 -1.87 -3.32 114.38 109.86 2dk2 h ARG 59 Ca -0.01 -0.21 -0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2dk2 h ARG 59 Cb 0.02 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2dk2 h ARG 59 CO 0.01 1.01 -0.05 0.78 -3.11 0.00 0.00 179.97 178.61 2dk2 h GLY 60 N 2.43 -0.14 1.52 2.80 0.00 -1.93 0.51 103.07 108.26 2dk2 h GLY 60 Ca -0.13 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.30 2dk2 h GLY 60 CO 0.15 -0.05 0.19 0.00 0.00 0.00 0.00 176.54 176.83 2dk2 h ALA 61 N 0.69 1.77 0.09 3.60 0.00 -1.98 0.30 119.26 123.73 2dk2 h ALA 61 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2dk2 h ALA 61 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dk2 h ALA 61 CO 0.02 -0.28 -1.00 0.00 0.00 0.00 0.00 179.25 178.00 2dk2 h ALA 62 N 1.77 0.08 0.42 0.00 0.00 -1.51 -3.23 119.26 116.79 2dk2 h ALA 62 Ca 0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 2dk2 h ALA 62 Cb 0.46 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dk2 h ALA 62 CO -0.00 0.55 -0.20 0.28 0.00 0.00 0.00 179.25 179.88 2dk2 h VAL 63 N -0.52 0.58 -0.62 0.00 2.07 -0.18 0.11 116.25 117.69 2dk2 h VAL 63 Ca -0.21 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.20 2dk2 h VAL 63 Cb 1.55 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2dk2 h VAL 63 CO 0.04 0.05 0.48 0.50 0.02 0.00 0.00 177.57 178.67 2dk2 h LYS 64 N -0.73 0.00 0.00 1.57 3.11 -1.15 0.19 116.57 119.56 2dk2 h LYS 64 Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2dk2 h LYS 64 Cb 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 2dk2 h LYS 64 CO 0.09 0.00 -0.03 0.00 -2.81 0.00 0.00 179.45 176.71 2dk2 h ALA 65 N 1.62 0.00 -0.29 5.00 0.00 -1.49 -3.33 119.26 120.77 2dk2 h ALA 65 Ca 0.30 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2dk2 h ALA 65 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2dk2 h ALA 65 CO -0.00 0.02 0.29 1.98 0.00 0.00 0.00 179.25 181.54 2dk2 h MET 66 N -1.00 0.00 -0.45 0.00 1.85 -0.36 0.25 114.93 115.22 2dk2 h MET 66 Ca -0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 2dk2 h MET 66 Cb 0.15 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 2dk2 h MET 66 CO -0.00 0.00 0.21 -0.44 -0.40 0.00 0.00 176.91 176.28 2dk2 h ASP 67 N 0.00 0.28 0.06 1.39 5.19 -0.74 -0.34 116.42 122.27 2dk2 h ASP 67 Ca 0.14 0.03 -0.34 0.00 -0.62 0.00 0.00 57.03 56.24 2dk2 h ASP 67 Cb 0.72 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 2dk2 h ASP 67 CO -0.00 0.20 -1.91 -0.62 -3.12 0.00 0.00 179.24 173.79 2dk2 n GLU 68 N -4.93 0.68 -0.34 3.56 1.02 -0.52 -4.27 120.64 115.83 2dk2 n GLU 68 Ca 0.03 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 2dk2 n GLU 68 Cb 0.13 -1.67 0.28 0.00 -0.02 0.00 0.00 31.44 30.16 2dk2 n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2dk2 h MET 69 N -0.34 0.75 -5.56 3.49 2.86 -0.59 -3.40 114.93 112.14 2dk2 h MET 69 Ca -0.45 -0.05 -0.54 0.00 -2.06 0.00 0.00 59.70 56.61 2dk2 h MET 69 Cb 1.77 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.24 2dk2 h MET 69 CO -0.07 0.50 1.61 -1.71 1.06 0.00 0.00 176.91 178.30 2dk2 n ASN 70 N -4.76 1.75 -0.04 1.22 5.15 -0.14 -0.82 115.26 117.62 2dk2 n ASN 70 Ca 0.21 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 2dk2 n ASN 70 Cb 0.50 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 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 6.29 1.34 4.00 8.20 0.00 -1.26 -5.01 105.19 118.75 2dk2 n GLY 71 Ca 0.46 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.10 2.57 -0.38 1.61 -0.14 0.00 -5.04 119.74 117.26 2dk2 s LYS 72 Ca 0.00 -1.47 0.03 0.00 -1.36 0.00 0.00 55.97 53.17 2dk2 s LYS 72 Cb 0.00 -2.63 0.11 0.00 -1.68 0.00 0.00 37.83 33.63 2dk2 s LYS 72 CO 0.00 -0.49 0.12 -2.00 -0.76 0.00 0.00 175.35 172.21 2dk2 s GLU 73 N -4.43 1.46 -0.28 1.68 2.12 -1.26 -3.48 118.70 114.50 2dk2 s GLU 73 Ca 0.55 -1.93 -0.15 0.00 0.36 0.00 0.00 54.97 53.81 2dk2 s GLU 73 Cb -0.07 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 2dk2 s GLU 73 CO 0.34 -1.00 0.38 0.42 -0.54 0.00 0.00 175.26 174.85 2dk2 s ILE 74 N 0.72 5.17 -1.46 -3.70 1.01 -1.12 -4.24 121.20 117.58 2dk2 s ILE 74 Ca 0.13 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 2dk2 s ILE 74 Cb -0.21 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.57 2dk2 s ILE 74 CO -0.08 0.13 0.43 1.21 0.00 0.00 0.00 174.94 176.63 2dk2 n GLU 75 N 5.35 -3.78 -1.52 2.79 0.00 -1.26 -0.51 120.64 121.70 2dk2 n GLU 75 Ca -0.08 0.77 -0.15 0.00 0.00 0.00 0.00 57.16 57.70 2dk2 n GLU 75 Cb 0.51 -5.54 -0.06 0.00 0.00 0.00 0.00 31.44 26.35 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 -1.28 1.31 3.20 8.31 0.00 -1.26 -4.99 105.19 110.48 2dk2 n GLY 76 Ca -0.11 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.41 3.04 -0.14 1.61 0.41 0.33 -5.08 118.70 115.47 2dk2 s GLU 77 Ca 0.00 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 2dk2 s GLU 77 Cb 0.00 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.91 2dk2 s GLU 77 CO 0.00 0.10 2.12 0.39 -0.49 0.00 0.00 175.26 177.37 2dk2 n GLU 78 N 3.75 2.20 -4.08 1.61 1.02 -1.26 -2.78 120.64 121.10 2dk2 n GLU 78 Ca -0.19 0.70 -0.35 0.00 -0.02 0.00 0.00 57.16 57.30 2dk2 n GLU 78 Cb 0.52 -3.06 -0.10 0.00 -0.02 0.00 0.00 31.44 28.79 2dk2 n GLU 78 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2dk2 s ILE 79 N 6.67 4.70 0.14 -3.67 -5.25 -1.23 -4.66 121.20 117.90 2dk2 s ILE 79 Ca 0.97 -0.07 0.05 0.00 -0.99 0.00 0.00 60.65 60.61 2dk2 s ILE 79 Cb -0.44 -3.09 -0.04 0.00 2.95 0.00 0.00 42.46 41.84 2dk2 s ILE 79 CO 0.40 0.49 0.09 -1.61 -1.79 0.00 0.00 174.94 172.52 2dk2 s GLU 80 N 0.11 2.77 -0.03 0.37 8.01 0.08 -4.19 118.70 125.83 2dk2 s GLU 80 Ca 0.04 -0.87 -0.02 0.00 0.01 0.00 0.00 54.97 54.13 2dk2 s GLU 80 Cb -0.12 -2.60 0.02 0.00 -4.31 0.00 0.00 34.13 27.11 2dk2 s GLU 80 CO 0.01 0.50 0.07 0.42 0.01 0.00 0.00 175.26 176.27 2dk2 s ILE 81 N -1.63 -0.02 -0.11 -1.63 1.01 -1.26 -0.74 121.20 116.82 2dk2 s ILE 81 Ca 0.29 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 2dk2 s ILE 81 Cb -0.10 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.28 2dk2 s ILE 81 CO 0.22 0.03 0.35 0.68 0.00 0.00 0.00 174.94 176.21 2dk2 s VAL 82 N 0.39 0.01 -0.04 2.92 -7.23 -0.63 -5.00 120.40 110.82 2dk2 s VAL 82 Ca -0.03 -0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 2dk2 s VAL 82 Cb -0.04 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 2dk2 s VAL 82 CO -0.01 -0.04 1.99 -0.76 -0.31 0.00 0.00 175.10 175.96 2dk2 s LEU 83 N -0.06 4.19 -0.02 1.32 1.43 -1.26 -1.30 118.68 122.98 2dk2 s LEU 83 Ca -0.02 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2dk2 s LEU 83 Cb -0.03 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2dk2 s LEU 83 CO 0.01 -1.25 0.93 0.00 0.23 0.00 0.00 176.35 176.27 2dk2 s ALA 84 N 5.30 3.21 0.13 4.21 0.00 -1.16 -4.87 121.76 128.58 2dk2 s ALA 84 Ca 0.89 0.45 0.08 0.00 0.00 0.00 0.00 51.96 53.38 2dk2 s ALA 84 Cb -0.39 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2dk2 s ALA 84 CO 0.39 -0.23 -0.11 0.15 0.00 0.00 0.00 175.76 175.95 2dk2 s LYS 85 N 1.03 2.04 0.96 0.00 3.01 -1.26 -4.70 119.74 120.83 2dk2 s LYS 85 Ca 0.49 -1.12 -0.12 0.00 -1.01 0.00 0.00 55.97 54.21 2dk2 s LYS 85 Cb -0.20 -2.23 0.17 0.00 -1.01 0.00 0.00 37.83 34.56 2dk2 s LYS 85 CO 0.26 0.48 1.09 -1.25 0.51 0.00 0.00 175.35 176.44 2dk2 s PRO 86 N -2.37 0.73 0.49 -1.68 0.04 -1.26 -5.01 135.00 125.94 2dk2 s PRO 86 Ca 0.22 0.63 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 2dk2 s PRO 86 Cb -0.10 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 2dk2 s PRO 86 CO 0.13 -2.55 1.15 -1.25 0.04 0.00 0.00 177.00 174.52 2dk2 s PRO 87 N -4.95 3.60 -0.75 0.56 0.04 -1.26 -4.97 135.00 127.26 2dk2 s PRO 87 Ca 0.65 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2dk2 s PRO 87 Cb -0.18 -2.24 0.36 0.00 0.04 0.00 0.00 34.50 32.48 2dk2 s PRO 87 CO 0.57 -0.67 1.76 -0.25 0.04 0.00 0.00 177.00 178.45 2dk2 n ASP 88 N -0.81 6.74 -3.83 6.66 9.92 -1.26 -4.84 116.55 129.13 2dk2 n ASP 88 Ca 0.09 -3.79 -0.28 0.00 -0.53 0.00 0.00 54.79 50.28 2dk2 n ASP 88 Cb 0.49 -0.91 0.04 0.00 -0.64 0.00 0.00 41.12 40.10 2dk2 n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2dk2 n LYS 89 N -0.48 -5.87 -2.49 -1.24 4.76 -1.26 -4.90 118.16 106.68 2dk2 n LYS 89 Ca 0.49 0.64 -0.16 0.00 -2.87 0.00 0.00 58.31 56.41 2dk2 n LYS 89 Cb 0.34 -5.52 0.02 0.00 -1.84 0.00 0.00 35.03 28.04 2dk2 n LYS 89 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dk2 n LYS 90 N -4.68 2.54 -1.70 1.97 4.76 -1.26 -5.08 118.16 114.71 2dk2 n LYS 90 Ca -0.01 -3.91 -0.43 0.00 -2.87 0.00 0.00 58.31 51.09 2dk2 n LYS 90 Cb 0.55 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2dk2 n LYS 90 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dk2 n ARG 91 N -0.44 2.67 -4.12 1.97 3.00 -1.26 -4.98 116.66 113.49 2dk2 n ARG 91 Ca 0.26 0.96 -0.34 0.00 -0.01 0.00 0.00 57.85 58.72 2dk2 n ARG 91 Cb 0.80 -2.81 -0.15 0.00 0.00 0.00 0.00 32.46 30.30 2dk2 n ARG 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dk2 s SER 92 N 1.70 3.85 0.00 0.55 0.15 -1.26 -4.92 113.70 113.76 2dk2 s SER 92 Ca 0.78 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2dk2 s SER 92 Cb -0.53 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2dk2 s SER 92 CO 0.35 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2dk2 n GLY 93 N 4.55 -0.23 3.60 9.45 0.00 -1.26 -5.17 105.19 116.13 2dk2 n GLY 93 Ca -0.19 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -1.04 -0.34 1.61 0.04 -1.26 -5.03 135.00 128.97 2dk2 s PRO 94 Ca 0.00 -0.01 0.16 0.00 0.04 0.00 0.00 61.00 61.19 2dk2 s PRO 94 Cb 0.00 -1.61 0.44 0.00 0.04 0.00 0.00 34.50 33.37 2dk2 s PRO 94 CO 0.00 -3.61 1.02 -1.13 0.04 0.00 0.00 177.00 173.33 2dk2 n SER 95 N -4.70 0.72 0.13 6.66 3.41 -1.26 -4.96 113.62 113.63 2dk2 n SER 95 Ca 0.12 -2.69 -0.13 0.00 -0.26 0.00 0.00 58.87 55.91 2dk2 n SER 95 Cb 0.59 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 2dk2 n SER 95 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dk2 h SER 96 N 2.81 -0.29 -0.01 4.04 0.02 -2.09 -3.58 113.55 114.45 2dk2 h SER 96 Ca -0.13 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2dk2 h SER 96 Cb 1.19 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2dk2 h SER 96 CO 0.38 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.72