#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz s SER 2 N 0.00 4.00 -0.25 1.61 0.01 -1.26 -4.94 113.70 112.86 2dkz s SER 2 Ca 0.00 2.40 0.11 0.00 1.31 0.00 0.00 55.95 59.78 2dkz s SER 2 Cb 0.00 -2.59 0.50 0.00 0.21 0.00 0.00 66.02 64.14 2dkz s SER 2 CO 0.00 -2.40 1.43 -1.20 0.41 0.00 0.00 173.24 171.48 2dkz n SER 3 N -2.85 2.79 -4.85 2.44 7.64 -1.26 -5.03 113.62 112.51 2dkz n SER 3 Ca 0.14 -3.56 -0.32 0.00 1.01 0.00 0.00 58.87 56.14 2dkz n SER 3 Cb 0.50 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 2dkz n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 4 N -2.42 2.22 0.10 0.23 0.00 -1.26 -4.99 107.32 101.20 2dkz s GLY 4 Ca 0.43 0.08 0.09 0.00 0.00 0.00 0.00 44.72 45.32 2dkz s GLY 4 CO 0.02 0.31 1.17 0.23 0.00 0.00 0.00 173.10 174.83 2dkz h SER 5 N 1.76 0.00 -3.39 1.64 0.87 -2.06 -3.44 113.55 108.93 2dkz h SER 5 Ca -0.48 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 59.69 2dkz h SER 5 Cb 1.18 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.78 2dkz h SER 5 CO 0.63 0.96 -0.76 -0.94 -0.53 0.00 0.00 176.83 176.20 2dkz s SER 6 N -6.56 0.99 -0.02 6.23 1.04 -1.26 -5.14 113.70 108.97 2dkz s SER 6 Ca 0.00 -0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 2dkz s SER 6 Cb 0.09 -0.33 0.12 0.00 0.10 0.00 0.00 66.02 66.00 2dkz s SER 6 CO 0.82 -0.14 1.23 -0.83 0.98 0.00 0.00 173.24 175.30 2dkz s GLY 7 N 1.43 -0.38 0.61 7.32 0.00 -1.26 -5.16 107.32 109.88 2dkz s GLY 7 Ca -0.04 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.28 2dkz s GLY 7 CO -0.03 0.17 1.12 2.56 0.00 0.00 0.00 173.10 176.92 2dkz s PRO 8 N -2.53 3.04 0.08 2.90 0.04 -1.26 -5.04 135.00 132.23 2dkz s PRO 8 Ca 0.13 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 2dkz s PRO 8 Cb 0.03 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2dkz s PRO 8 CO -0.03 -1.08 0.38 -0.46 0.04 0.00 0.00 177.00 175.85 2dkz s TRP 9 N -2.09 3.56 0.05 0.56 -0.00 -1.26 -5.10 118.94 114.65 2dkz s TRP 9 Ca 0.69 0.71 -0.04 0.00 -0.00 0.00 0.00 56.10 57.46 2dkz s TRP 9 Cb -0.22 -2.10 -0.02 0.00 -0.00 0.00 0.00 33.47 31.13 2dkz s TRP 9 CO 0.35 0.51 0.06 1.14 -0.00 0.00 0.00 176.95 179.02 2dkz s GLN 10 N -2.04 0.63 0.56 5.86 -2.07 -1.26 -5.01 119.66 116.33 2dkz s GLN 10 Ca 0.34 -0.96 -0.19 0.00 -1.82 0.00 0.00 55.36 52.73 2dkz s GLN 10 Cb -0.13 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 31.98 2dkz s GLN 10 CO 0.19 -0.15 1.13 -1.25 -1.32 0.00 0.00 175.29 173.88 2dkz s PRO 11 N -3.28 3.25 1.25 9.60 0.04 -1.26 -5.04 135.00 139.55 2dkz s PRO 11 Ca 0.01 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.41 2dkz s PRO 11 Cb 0.03 -1.99 0.31 0.00 0.04 0.00 0.00 34.50 32.88 2dkz s PRO 11 CO -0.08 -0.92 1.11 -0.35 0.04 0.00 0.00 177.00 176.79 2dkz n PRO 12 N -1.51 -3.18 -1.04 0.56 -0.04 -1.26 -4.96 135.00 123.57 2dkz n PRO 12 Ca 0.11 -1.77 -0.11 0.00 -0.04 0.00 0.00 63.50 61.70 2dkz n PRO 12 Cb 0.51 -1.66 0.25 0.00 -0.04 0.00 0.00 33.50 32.56 2dkz n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkz n ALA 13 N -4.90 4.81 0.00 0.55 0.00 -1.26 -4.40 120.51 115.31 2dkz n ALA 13 Ca -0.21 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.60 2dkz n ALA 13 Cb 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2dkz n ALA 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dkz n ASP 14 N -0.63 0.88 -2.39 0.00 2.03 -1.26 -5.02 116.55 110.15 2dkz n ASP 14 Ca 0.45 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.62 2dkz n ASP 14 Cb 1.42 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.81 2dkz n ASP 14 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dkz n LEU 15 N -2.17 -1.33 -0.98 -2.67 4.32 -1.26 -4.83 117.00 108.09 2dkz n LEU 15 Ca 0.00 0.15 -0.01 0.00 -0.02 0.00 0.00 56.01 56.14 2dkz n LEU 15 Cb 0.18 -2.33 0.20 0.00 -1.62 0.00 0.00 43.42 39.85 2dkz n LEU 15 CO 0.00 -0.18 0.61 -0.24 -1.22 0.00 0.00 177.39 176.36 2dkz n SER 16 N -1.80 2.33 -0.69 -1.43 2.88 -1.26 -2.74 113.62 110.91 2dkz n SER 16 Ca -0.17 -3.76 -0.03 0.00 -1.33 0.00 0.00 58.87 53.58 2dkz n SER 16 Cb 0.62 -0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 17 N -1.11 0.22 3.64 0.46 0.00 -1.26 -4.71 105.19 102.43 2dkz n GLY 17 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 2dkz n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkz s LEU 18 N 0.00 4.09 0.98 0.99 1.43 -1.26 -5.00 118.68 119.91 2dkz s LEU 18 Ca 0.00 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 2dkz s LEU 18 Cb 0.00 -2.11 0.16 0.00 0.03 0.00 0.00 46.19 44.27 2dkz s LEU 18 CO 0.00 0.03 0.98 -1.54 0.23 0.00 0.00 176.35 176.05 2dkz n SER 19 N 4.49 -0.50 0.06 2.29 3.41 -1.26 -0.73 113.62 121.39 2dkz n SER 19 Ca -0.15 0.28 0.19 0.00 -0.26 0.00 0.00 58.87 58.93 2dkz n SER 19 Cb 0.52 -1.38 0.71 0.00 -0.26 0.00 0.00 64.21 63.80 2dkz n SER 19 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2dkz h ILE 20 N -2.02 0.69 0.00 -1.33 2.04 -1.94 0.14 117.51 115.09 2dkz h ILE 20 Ca -0.47 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.21 2dkz h ILE 20 Cb 1.29 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2dkz h ILE 20 CO 0.41 0.00 -0.95 -0.08 0.00 0.00 0.00 178.15 177.53 2dkz h GLU 21 N 0.00 0.00 -0.06 2.37 4.81 -1.88 -3.28 114.58 116.54 2dkz h GLU 21 Ca 0.20 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2dkz h GLU 21 Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2dkz h GLU 21 CO -0.00 0.74 -0.48 0.93 -0.73 0.00 0.00 179.01 179.47 2dkz h GLU 22 N 0.00 0.15 -0.21 1.92 4.39 -1.05 -2.91 114.58 116.86 2dkz h GLU 22 Ca -0.05 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 2dkz h GLU 22 Cb 1.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.31 2dkz h GLU 22 CO 0.10 0.60 -0.04 0.28 -1.16 0.00 0.00 179.01 178.79 2dkz h VAL 23 N 0.12 1.16 -0.67 3.13 2.07 -1.47 -2.23 116.25 118.35 2dkz h VAL 23 Ca 0.00 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.01 2dkz h VAL 23 Cb 0.90 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2dkz h VAL 23 CO 0.07 0.21 0.45 0.28 0.02 0.00 0.00 177.57 178.60 2dkz h SER 24 N 0.31 0.38 0.84 0.57 0.02 -1.64 -0.47 113.55 113.56 2dkz h SER 24 Ca 0.07 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 2dkz h SER 24 Cb 0.27 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2dkz h SER 24 CO 0.01 0.21 -1.26 0.11 -1.14 0.00 0.00 176.83 174.76 2dkz h LYS 25 N 0.41 0.00 -0.71 3.45 1.57 -1.56 -3.32 116.57 116.42 2dkz h LYS 25 Ca 0.32 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2dkz h LYS 25 Cb 0.68 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 2dkz h LYS 25 CO -0.09 0.50 0.33 0.77 -0.57 0.00 0.00 179.45 180.38 2dkz h SER 26 N 0.00 0.39 0.66 0.86 0.02 -0.67 -0.22 113.55 114.59 2dkz h SER 26 Ca -0.14 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2dkz h SER 26 Cb 1.70 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.24 2dkz h SER 26 CO 0.07 0.21 -0.57 -0.07 -1.14 0.00 0.00 176.83 175.33 2dkz h LEU 27 N 0.54 0.00 -2.01 5.07 3.38 -1.65 -3.02 115.31 117.62 2dkz h LEU 27 Ca 0.36 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.48 2dkz h LEU 27 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2dkz h LEU 27 CO -0.31 0.57 0.43 -0.09 0.09 0.00 0.00 178.44 179.13 2dkz h ARG 28 N 0.00 0.00 -0.37 1.13 9.65 -1.13 -0.59 114.38 123.07 2dkz h ARG 28 Ca -0.01 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2dkz h ARG 28 Cb 1.05 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.57 2dkz h ARG 28 CO 0.07 0.00 -0.02 0.35 2.80 0.00 0.00 179.97 183.18 2dkz h PHE 29 N 0.00 -0.05 0.00 2.20 3.57 -1.45 -2.43 116.94 118.78 2dkz h PHE 29 Ca 0.25 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.61 2dkz h PHE 29 Cb 1.11 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 2dkz h PHE 29 CO 0.00 -0.09 -1.11 -0.84 -2.23 0.00 0.00 178.31 174.05 2dkz h ILE 30 N 0.08 0.79 -2.31 1.41 3.07 -1.47 -3.49 117.51 115.59 2dkz h ILE 30 Ca 0.18 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 64.28 2dkz h ILE 30 Cb 0.25 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2dkz h ILE 30 CO -0.31 0.45 0.00 0.61 -1.05 0.00 0.00 178.15 177.85 2dkz n GLY 31 N 1.35 -1.08 3.93 0.16 0.00 -0.34 -5.11 105.19 104.09 2dkz n GLY 31 Ca -0.05 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 2dkz n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkz s LEU 32 N -0.48 2.82 0.35 0.99 1.43 -1.25 -5.04 118.68 117.51 2dkz s LEU 32 Ca 0.00 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 2dkz s LEU 32 Cb 0.00 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 2dkz s LEU 32 CO 0.00 -1.12 1.16 -0.55 0.23 0.00 0.00 176.35 176.07 2dkz s SER 33 N -4.34 6.81 0.55 2.29 0.15 -1.26 -4.90 113.70 113.00 2dkz s SER 33 Ca 0.40 2.35 0.27 0.00 0.70 0.00 0.00 55.95 59.67 2dkz s SER 33 Cb -0.03 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.12 2dkz s SER 33 CO 0.25 -0.47 1.98 1.05 1.20 0.00 0.00 173.24 177.25 2dkz h GLU 34 N 3.10 0.00 -0.22 5.44 -0.00 -2.00 -0.55 114.58 120.35 2dkz h GLU 34 Ca -0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.81 2dkz h GLU 34 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2dkz h GLU 34 CO 0.64 0.00 -0.14 -0.44 -0.00 0.00 0.00 179.01 179.07 2dkz h ASP 35 N 0.00 0.51 0.11 3.06 5.19 -1.99 -2.70 116.42 120.61 2dkz h ASP 35 Ca 0.23 -0.43 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2dkz h ASP 35 Cb 1.01 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2dkz h ASP 35 CO -0.00 0.83 -0.13 0.58 -3.12 0.00 0.00 179.24 177.40 2dkz h VAL 36 N 0.19 0.70 0.04 -1.35 2.07 -1.48 0.45 116.25 116.87 2dkz h VAL 36 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2dkz h VAL 36 Cb 0.66 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2dkz h VAL 36 CO 0.04 0.00 -0.35 0.40 0.02 0.00 0.00 177.57 177.68 2dkz h ILE 37 N -0.28 0.26 0.00 4.57 2.04 -1.53 -0.48 117.51 122.10 2dkz h ILE 37 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2dkz h ILE 37 Cb 0.27 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2dkz h ILE 37 CO -0.05 0.00 -0.01 -1.28 0.00 0.00 0.00 178.15 176.82 2dkz h SER 38 N -0.53 0.00 0.26 1.72 0.87 -1.36 -0.56 113.55 113.95 2dkz h SER 38 Ca 0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2dkz h SER 38 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2dkz h SER 38 CO -0.26 0.01 -0.12 -0.26 -0.53 0.00 0.00 176.83 175.67 2dkz h PHE 39 N 0.00 0.00 0.09 2.24 0.04 0.80 0.26 116.94 120.37 2dkz h PHE 39 Ca -0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 2dkz h PHE 39 Cb 0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2dkz h PHE 39 CO 0.00 0.12 -1.66 0.74 -0.60 0.00 0.00 178.31 176.91 2dkz h PHE 40 N 0.00 0.34 0.00 -0.55 -1.00 -0.84 -3.20 116.94 111.70 2dkz h PHE 40 Ca -0.00 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.50 2dkz h PHE 40 Cb 0.28 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2dkz h PHE 40 CO 0.00 1.65 -0.17 0.28 -1.61 0.00 0.00 178.31 178.46 2dkz h VAL 41 N -0.32 0.65 0.00 -0.55 2.07 -1.29 0.23 116.25 117.05 2dkz h VAL 41 Ca -0.38 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.29 2dkz h VAL 41 Cb 1.77 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2dkz h VAL 41 CO -0.01 0.17 -0.80 0.00 0.02 0.00 0.00 177.57 176.95 2dkz h THR 42 N 0.00 0.73 -0.57 2.57 1.03 -1.09 -3.26 112.91 112.31 2dkz h THR 42 Ca -0.00 -2.11 -0.15 0.00 -0.01 0.00 0.00 66.41 64.14 2dkz h THR 42 Cb 0.45 2.27 -0.09 0.00 -1.07 0.00 0.00 68.15 69.71 2dkz h THR 42 CO 0.02 0.41 0.19 -0.62 -0.01 0.00 0.00 175.52 175.51 2dkz n GLU 43 N -3.10 3.32 -2.01 0.00 -0.58 -0.89 -4.87 120.64 112.51 2dkz n GLU 43 Ca -0.02 -2.44 -0.16 0.00 -0.42 0.00 0.00 57.16 54.12 2dkz n GLU 43 Cb 0.76 -2.04 -0.04 0.00 -0.57 0.00 0.00 31.44 29.55 2dkz n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dkz n LYS 44 N 0.02 -1.70 -2.47 3.49 4.81 -1.16 -4.90 118.16 116.25 2dkz n LYS 44 Ca 0.31 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 2dkz n LYS 44 Cb 1.16 -5.37 -0.02 0.00 0.02 0.00 0.00 35.03 30.81 2dkz n LYS 44 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2dkz s ILE 45 N -2.64 4.31 0.34 3.15 -1.09 0.77 -5.00 121.20 121.05 2dkz s ILE 45 Ca 0.00 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 2dkz s ILE 45 Cb 0.00 -4.04 -0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2dkz s ILE 45 CO 0.00 -0.05 0.01 -0.90 -1.23 0.00 0.00 174.94 172.78 2dkz n ASP 46 N 5.62 2.78 0.17 3.58 5.68 -1.26 -4.47 116.55 128.66 2dkz n ASP 46 Ca 0.12 -2.53 -0.14 0.00 -0.50 0.00 0.00 54.79 51.73 2dkz n ASP 46 Cb 0.46 0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 40.66 2dkz n ASP 46 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dkz h GLY 47 N 0.87 -0.68 1.45 6.12 0.00 -1.13 0.19 103.07 109.89 2dkz h GLY 47 Ca -0.28 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.49 2dkz h GLY 47 CO 0.47 -0.26 0.20 -0.57 0.00 0.00 0.00 176.54 176.37 2dkz h ASN 48 N -0.62 0.00 -0.01 0.19 -1.24 -1.73 -1.49 115.58 110.67 2dkz h ASN 48 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 2dkz h ASN 48 Cb 0.59 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.66 2dkz h ASN 48 CO -0.10 0.00 -0.74 0.25 -1.29 0.00 0.00 177.43 175.54 2dkz h LEU 49 N 0.00 0.67 0.18 0.34 7.12 -1.61 -3.10 115.31 118.91 2dkz h LEU 49 Ca 0.13 -0.74 -0.00 0.00 0.13 0.00 0.00 57.88 57.39 2dkz h LEU 49 Cb 0.52 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2dkz h LEU 49 CO -0.00 1.32 -0.14 0.25 -0.13 0.00 0.00 178.44 179.75 2dkz h LEU 50 N 0.08 -0.35 -2.23 2.25 5.85 0.34 -0.35 115.31 120.90 2dkz h LEU 50 Ca -0.09 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2dkz h LEU 50 Cb 1.43 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 2dkz h LEU 50 CO 0.15 -0.21 0.20 -0.37 -0.34 0.00 0.00 178.44 177.86 2dkz h VAL 51 N -0.32 0.46 0.04 1.05 -1.51 -1.49 0.09 116.25 114.58 2dkz h VAL 51 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.21 2dkz h VAL 51 Cb 0.29 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 2dkz h VAL 51 CO -0.01 0.00 -1.24 1.56 -1.23 0.00 0.00 177.57 176.65 2dkz h GLN 52 N 0.00 0.09 -6.96 5.19 4.20 -1.23 -3.46 115.11 112.94 2dkz h GLN 52 Ca 0.08 -0.15 -0.54 0.00 0.06 0.00 0.00 58.65 58.10 2dkz h GLN 52 Cb 0.48 0.06 0.11 0.00 0.30 0.00 0.00 27.48 28.43 2dkz h GLN 52 CO -0.00 0.98 0.76 -0.51 -0.67 0.00 0.00 178.83 179.39 2dkz s LEU 53 N -6.74 4.25 0.29 1.46 1.43 0.02 -5.02 118.68 114.37 2dkz s LEU 53 Ca -0.02 3.03 0.09 0.00 -1.03 0.00 0.00 54.13 56.20 2dkz s LEU 53 Cb 0.09 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 2dkz s LEU 53 CO 0.84 -0.99 -0.12 0.42 0.23 0.00 0.00 176.35 176.72 2dkz s THR 54 N -1.14 2.11 0.56 5.49 -4.23 -1.26 -5.00 115.64 112.17 2dkz s THR 54 Ca 0.56 -2.25 0.26 0.00 -1.18 0.00 0.00 61.69 59.08 2dkz s THR 54 Cb -0.46 -2.42 0.37 0.00 1.34 0.00 0.00 72.50 71.32 2dkz s THR 54 CO 0.62 -0.33 2.04 -0.08 -0.54 0.00 0.00 174.62 176.33 2dkz h GLU 55 N 2.22 0.00 -0.05 3.99 4.81 -1.95 0.10 114.58 123.70 2dkz h GLU 55 Ca -0.40 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.62 2dkz h GLU 55 Cb 1.25 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.64 2dkz h GLU 55 CO 0.66 0.00 -0.79 0.93 -0.73 0.00 0.00 179.01 179.08 2dkz h GLU 56 N 0.00 0.63 0.00 1.92 4.39 -1.97 -2.78 114.58 116.77 2dkz h GLU 56 Ca 0.15 -0.60 -0.12 0.00 0.34 0.00 0.00 59.36 59.13 2dkz h GLU 56 Cb 0.71 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 2dkz h GLU 56 CO -0.00 1.21 -0.56 0.82 -1.16 0.00 0.00 179.01 179.33 2dkz h ILE 57 N 0.26 1.22 0.00 3.13 2.04 -1.55 0.18 117.51 122.79 2dkz h ILE 57 Ca -0.08 -2.04 -0.09 0.00 1.00 0.00 0.00 64.86 63.64 2dkz h ILE 57 Cb 1.45 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 2dkz h ILE 57 CO 0.16 0.55 -0.44 -0.07 0.00 0.00 0.00 178.15 178.35 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.89 -0.25 115.31 118.99 2dkz h LEU 58 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 2dkz h LEU 58 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2dkz h LEU 58 CO 0.07 0.44 -2.12 -0.24 0.09 0.00 0.00 178.44 176.68 2dkz n SER 59 N -3.45 0.15 -0.06 -0.43 2.88 -1.05 -0.48 113.62 111.18 2dkz n SER 59 Ca 0.00 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.57 2dkz n SER 59 Cb 0.58 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 65.15 2dkz n SER 59 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dkz h GLU 60 N 0.00 0.00 0.00 -1.46 4.39 -0.66 -3.26 114.58 113.59 2dkz h GLU 60 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2dkz h GLU 60 Cb 1.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2dkz h GLU 60 CO 0.03 0.18 0.00 -0.25 -1.16 0.00 0.00 179.01 177.81 2dkz n ASP 61 N -4.69 0.00 -0.29 1.42 9.92 -0.14 -4.25 116.55 118.53 2dkz n ASP 61 Ca -0.06 0.30 0.15 0.00 -0.53 0.00 0.00 54.79 54.66 2dkz n ASP 61 Cb 0.18 -0.31 0.40 0.00 -0.64 0.00 0.00 41.12 40.75 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2dkz h PHE 62 N 0.00 0.82 -2.69 1.24 0.04 -1.56 -3.45 116.94 111.33 2dkz h PHE 62 Ca 0.00 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.43 2dkz h PHE 62 Cb 0.00 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 37.85 2dkz h PHE 62 CO 0.00 0.23 -0.43 1.17 -0.60 0.00 0.00 178.31 178.68 2dkz n LYS 63 N -4.61 -1.74 -0.45 1.51 4.81 0.37 -4.94 118.16 113.11 2dkz n LYS 63 Ca 0.20 0.93 -0.29 0.00 -0.87 0.00 0.00 58.31 58.28 2dkz n LYS 63 Cb 0.59 -5.49 0.27 0.00 0.02 0.00 0.00 35.03 30.42 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dkz s LEU 64 N -5.48 0.24 0.65 3.14 1.43 -0.77 -4.95 118.68 112.94 2dkz s LEU 64 Ca 0.00 1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 2dkz s LEU 64 Cb 0.00 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 2dkz s LEU 64 CO 0.00 -4.61 1.11 -0.44 0.23 0.00 0.00 176.35 172.64 2dkz s SER 65 N -2.56 5.18 0.38 2.29 0.01 -1.26 -4.72 113.70 113.03 2dkz s SER 65 Ca 0.69 2.01 0.13 0.00 1.31 0.00 0.00 55.95 60.08 2dkz s SER 65 Cb -0.23 -2.55 0.94 0.00 0.21 0.00 0.00 66.02 64.38 2dkz s SER 65 CO 0.64 -1.58 1.85 0.50 0.41 0.00 0.00 173.24 175.06 2dkz h LYS 66 N 0.14 0.54 -0.45 12.44 1.63 -1.99 0.73 116.57 129.61 2dkz h LYS 66 Ca -0.47 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.17 2dkz h LYS 66 Cb 1.25 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2dkz h LYS 66 CO 0.54 0.36 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.63 2dkz h LEU 67 N 0.56 0.95 0.45 5.20 -0.00 -1.99 -2.27 115.31 118.22 2dkz h LEU 67 Ca 0.48 -0.40 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2dkz h LEU 67 Cb 0.96 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2dkz h LEU 67 CO -0.22 1.14 -0.22 1.56 -0.00 0.00 0.00 178.44 180.70 2dkz h GLN 68 N 0.76 -0.59 -0.84 1.13 4.20 -1.35 -0.79 115.11 117.63 2dkz h GLN 68 Ca 0.10 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.08 2dkz h GLN 68 Cb 0.77 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 2dkz h GLN 68 CO 0.06 -0.29 0.59 0.28 -0.67 0.00 0.00 178.83 178.81 2dkz h VAL 69 N -1.02 0.60 0.01 -0.54 2.07 -1.03 0.11 116.25 116.47 2dkz h VAL 69 Ca -0.06 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2dkz h VAL 69 Cb 0.57 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2dkz h VAL 69 CO 0.10 0.02 -0.23 0.50 0.02 0.00 0.00 177.57 177.97 2dkz h LYS 70 N 0.09 0.14 -0.01 1.57 3.64 -1.33 -2.79 116.57 117.87 2dkz h LYS 70 Ca 0.41 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2dkz h LYS 70 Cb 1.49 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2dkz h LYS 70 CO -0.04 0.95 0.01 -0.22 -2.27 0.00 0.00 179.45 177.87 2dkz h LYS 71 N -0.60 0.01 -0.29 1.90 3.64 0.23 -1.91 116.57 119.55 2dkz h LYS 71 Ca -0.03 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2dkz h LYS 71 Cb 1.04 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 2dkz h LYS 71 CO 0.05 0.01 0.05 0.82 -2.27 0.00 0.00 179.45 178.11 2dkz h ILE 72 N 0.00 0.85 -0.24 2.00 2.04 -0.97 -1.82 117.51 119.38 2dkz h ILE 72 Ca 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2dkz h ILE 72 Cb 0.00 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2dkz h ILE 72 CO -0.00 0.03 -0.10 0.24 0.00 0.00 0.00 178.15 178.31 2dkz h MET 73 N 0.15 -0.07 -0.16 2.37 2.86 -1.31 0.22 114.93 118.98 2dkz h MET 73 Ca 0.14 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2dkz h MET 73 Cb 0.15 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2dkz h MET 73 CO -0.19 -0.04 0.13 0.37 1.06 0.00 0.00 176.91 178.23 2dkz h GLN 74 N -0.07 0.00 -0.02 1.72 4.15 -0.96 -1.85 115.11 118.09 2dkz h GLN 74 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 2dkz h GLN 74 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2dkz h GLN 74 CO -0.28 0.00 -0.20 0.35 -1.93 0.00 0.00 178.83 176.77 2dkz h PHE 75 N 0.00 0.23 -0.24 3.99 3.57 -0.18 0.32 116.94 124.64 2dkz h PHE 75 Ca 0.08 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.50 2dkz h PHE 75 Cb 0.34 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2dkz h PHE 75 CO 0.00 0.88 0.02 0.82 -2.23 0.00 0.00 178.31 177.80 2dkz h ILE 76 N -0.48 0.86 -0.20 1.41 2.04 -0.48 -2.84 117.51 117.82 2dkz h ILE 76 Ca -0.02 -0.04 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 2dkz h ILE 76 Cb 0.92 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2dkz h ILE 76 CO 0.04 0.02 -0.42 0.78 0.00 0.00 0.00 178.15 178.57 2dkz h ASN 77 N 0.11 0.73 -1.22 1.72 2.35 -1.46 -3.49 115.58 114.31 2dkz h ASN 77 Ca 0.11 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2dkz h ASN 77 Cb 0.12 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2dkz h ASN 77 CO -0.16 1.15 0.00 0.61 -1.65 0.00 0.00 177.43 177.37 2dkz n GLY 78 N 0.42 -0.28 3.73 2.83 0.00 0.10 -4.98 105.19 107.02 2dkz n GLY 78 Ca -0.06 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2dkz n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkz n SER 79 N -0.08 3.64 -0.90 1.61 2.88 -1.24 -4.99 113.62 114.54 2dkz n SER 79 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2dkz n SER 79 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 2dkz n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 80 N 2.05 4.67 3.73 0.46 0.00 -1.26 -5.13 105.19 109.72 2dkz n GLY 80 Ca 0.09 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2dkz n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkz s PRO 81 N -1.07 4.38 -0.30 1.61 0.04 -1.26 -5.01 135.00 133.38 2dkz s PRO 81 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2dkz s PRO 81 Cb 0.00 -3.21 0.19 0.00 0.04 0.00 0.00 34.50 31.51 2dkz s PRO 81 CO 0.00 -0.29 0.62 -1.12 0.04 0.00 0.00 177.00 176.25 2dkz s SER 82 N 0.54 -1.33 0.04 6.66 0.01 -1.26 -5.16 113.70 113.20 2dkz s SER 82 Ca 0.58 0.91 0.04 0.00 1.31 0.00 0.00 55.95 58.79 2dkz s SER 82 Cb -0.36 2.15 -0.02 0.00 0.21 0.00 0.00 66.02 67.99 2dkz s SER 82 CO 0.36 -0.25 -0.11 -0.44 0.41 0.00 0.00 173.24 173.21 2dkz s SER 83 N 2.86 1.28 0.00 2.44 0.01 -1.26 -5.32 113.70 113.71 2dkz s SER 83 Ca 0.18 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2dkz s SER 83 Cb -0.15 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2dkz s SER 83 CO -0.20 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 173.99