#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz n SER 2 N 0.00 -8.14 -3.58 1.61 7.64 -1.26 -4.95 113.62 104.94 2dkz n SER 2 Ca 0.00 1.01 -0.14 0.00 1.01 0.00 0.00 58.87 60.74 2dkz n SER 2 Cb 0.00 -4.43 -0.13 0.00 -1.01 0.00 0.00 64.21 58.64 2dkz n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkz s SER 3 N -7.12 0.62 0.00 6.43 0.01 -1.26 -5.11 113.70 107.27 2dkz s SER 3 Ca 0.00 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2dkz s SER 3 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2dkz s SER 3 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dkz n GLY 4 N 5.34 3.77 3.37 3.44 0.00 -1.26 -5.05 105.19 114.79 2dkz n GLY 4 Ca -0.06 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2dkz n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkz n SER 5 N 0.00 -6.52 -4.65 1.61 7.64 -1.26 -4.90 113.62 105.54 2dkz n SER 5 Ca 0.00 -0.55 -0.43 0.00 1.01 0.00 0.00 58.87 58.90 2dkz n SER 5 Cb 0.00 -4.18 -0.02 0.00 -1.01 0.00 0.00 64.21 59.00 2dkz n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkz s SER 6 N -3.16 6.98 0.29 6.43 0.15 -1.26 -4.87 113.70 118.27 2dkz s SER 6 Ca 0.18 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.98 2dkz s SER 6 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2dkz s SER 6 CO 0.80 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2dkz n GLY 7 N 3.69 -1.85 3.77 9.45 0.00 -1.26 -4.87 105.19 114.12 2dkz n GLY 7 Ca 0.12 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2dkz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkz s PRO 8 N -0.78 3.24 0.01 1.61 0.04 -1.26 -5.06 135.00 132.80 2dkz s PRO 8 Ca 0.00 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2dkz s PRO 8 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2dkz s PRO 8 CO 0.00 -0.93 -0.12 -0.46 0.04 0.00 0.00 177.00 175.53 2dkz s TRP 9 N -1.89 1.05 0.05 0.56 -0.00 -1.26 -5.16 118.94 112.30 2dkz s TRP 9 Ca 0.71 -0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 56.50 2dkz s TRP 9 Cb -0.23 -0.65 -0.02 0.00 -0.00 0.00 0.00 33.47 32.57 2dkz s TRP 9 CO 0.30 -0.00 0.06 1.14 -0.00 0.00 0.00 176.95 178.45 2dkz s GLN 10 N -0.70 0.63 0.57 5.86 0.00 -1.26 -4.92 119.66 119.84 2dkz s GLN 10 Ca 0.02 -0.96 -0.19 0.00 -0.00 0.00 0.00 55.36 54.24 2dkz s GLN 10 Cb -0.06 0.24 -0.05 0.00 0.00 0.00 0.00 33.01 33.14 2dkz s GLN 10 CO 0.00 -0.15 1.13 -1.25 0.00 0.00 0.00 175.29 175.01 2dkz s PRO 11 N -3.28 3.25 0.94 9.60 0.04 -1.26 -5.05 135.00 139.24 2dkz s PRO 11 Ca 0.01 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 2dkz s PRO 11 Cb 0.03 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.81 2dkz s PRO 11 CO -0.08 -0.92 0.84 -0.35 0.04 0.00 0.00 177.00 176.52 2dkz n PRO 12 N -1.52 -2.64 -0.13 0.56 -0.04 -1.26 -4.96 135.00 125.01 2dkz n PRO 12 Ca 0.11 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.13 2dkz n PRO 12 Cb 0.51 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 2dkz n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkz h ALA 13 N -2.57 0.71 -3.24 0.55 0.00 -2.03 -3.42 119.26 109.26 2dkz h ALA 13 Ca -0.31 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.55 2dkz h ALA 13 Cb 0.96 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.37 2dkz h ALA 13 CO 0.21 0.67 -0.68 -0.51 0.00 0.00 0.00 179.25 178.93 2dkz s ASP 14 N -6.77 4.68 -0.50 0.00 1.01 -1.26 -5.00 116.67 108.83 2dkz s ASP 14 Ca -0.11 -0.19 -0.02 0.00 0.71 0.00 0.00 52.55 52.95 2dkz s ASP 14 Cb 0.12 -1.77 0.33 0.00 1.01 0.00 0.00 42.92 42.61 2dkz s ASP 14 CO 0.86 0.13 2.05 0.18 0.21 0.00 0.00 175.17 178.60 2dkz n LEU 15 N 3.78 7.09 -1.02 1.23 4.77 -1.26 -4.33 117.00 127.26 2dkz n LEU 15 Ca -0.17 -3.82 -0.00 0.00 -0.03 0.00 0.00 56.01 51.99 2dkz n LEU 15 Cb 0.52 -1.02 0.21 0.00 -2.33 0.00 0.00 43.42 40.80 2dkz n LEU 15 CO 0.32 1.36 0.68 -1.54 -1.33 0.00 0.00 177.39 176.88 2dkz n SER 16 N -0.26 2.76 -0.90 -1.43 3.41 -1.26 -3.66 113.62 112.28 2dkz n SER 16 Ca 0.47 -3.57 -0.02 0.00 -0.26 0.00 0.00 58.87 55.49 2dkz n SER 16 Cb 0.61 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 17 N -1.00 0.73 3.54 5.00 0.00 -1.26 -4.76 105.19 107.44 2dkz n GLY 17 Ca 0.29 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.24 0.89 0.99 1.43 -1.26 -5.02 118.68 118.94 2dkz s LEU 18 Ca 0.07 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 2dkz s LEU 18 Cb 0.08 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.68 2dkz s LEU 18 CO -0.03 0.26 1.17 -0.94 0.23 0.00 0.00 176.35 177.04 2dkz s SER 19 N -0.21 3.75 0.38 2.29 1.04 -1.26 -0.20 113.70 119.50 2dkz s SER 19 Ca 0.03 0.80 0.11 0.00 0.48 0.00 0.00 55.95 57.37 2dkz s SER 19 Cb -0.13 -1.27 0.89 0.00 0.10 0.00 0.00 66.02 65.62 2dkz s SER 19 CO 0.02 -2.38 1.91 0.40 0.98 0.00 0.00 173.24 174.17 2dkz h ILE 20 N -1.39 0.86 -0.05 -1.02 2.04 -1.93 -0.21 117.51 115.82 2dkz h ILE 20 Ca -0.48 -0.20 -0.20 0.00 1.00 0.00 0.00 64.86 64.98 2dkz h ILE 20 Cb 1.32 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2dkz h ILE 20 CO 0.60 0.11 -0.81 -0.08 0.00 0.00 0.00 178.15 177.97 2dkz h GLU 21 N 0.60 0.39 -0.02 2.37 4.81 -1.92 -3.14 114.58 117.66 2dkz h GLU 21 Ca 0.39 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2dkz h GLU 21 Cb 0.66 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2dkz h GLU 21 CO -0.15 1.01 -0.41 0.93 -0.73 0.00 0.00 179.01 179.66 2dkz h GLU 22 N 0.25 0.04 -0.51 1.92 4.39 -1.43 -2.85 114.58 116.38 2dkz h GLU 22 Ca -0.05 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2dkz h GLU 22 Cb 1.40 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 2dkz h GLU 22 CO 0.14 0.44 0.13 0.28 -1.16 0.00 0.00 179.01 178.84 2dkz h VAL 23 N 0.04 1.22 -0.89 3.13 2.07 -1.15 -1.73 116.25 118.93 2dkz h VAL 23 Ca 0.00 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.88 2dkz h VAL 23 Cb 0.74 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2dkz h VAL 23 CO 0.05 0.29 0.57 0.28 0.02 0.00 0.00 177.57 178.78 2dkz h SER 24 N 0.75 0.67 0.99 0.57 0.02 -1.55 -0.37 113.55 114.64 2dkz h SER 24 Ca 0.17 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.00 2dkz h SER 24 Cb 0.27 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2dkz h SER 24 CO -0.00 0.35 -1.07 0.11 -1.14 0.00 0.00 176.83 175.07 2dkz h LYS 25 N 0.71 0.00 -0.94 3.45 1.57 -1.57 -3.32 116.57 116.47 2dkz h LYS 25 Ca 0.44 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.38 2dkz h LYS 25 Cb 0.68 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 2dkz h LYS 25 CO -0.20 0.46 0.60 0.77 -0.57 0.00 0.00 179.45 180.51 2dkz h SER 26 N 0.00 0.72 1.28 0.86 0.02 -0.17 0.11 113.55 116.37 2dkz h SER 26 Ca -0.10 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 2dkz h SER 26 Cb 1.57 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 2dkz h SER 26 CO 0.07 0.34 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.39 2dkz h LEU 27 N 0.74 0.00 -1.72 5.07 3.38 -1.63 -3.25 115.31 117.91 2dkz h LEU 27 Ca 0.49 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.66 2dkz h LEU 27 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2dkz h LEU 27 CO -0.25 0.63 0.56 -0.09 0.09 0.00 0.00 178.44 179.38 2dkz h ARG 28 N 0.00 0.24 -0.10 1.13 9.65 -0.87 0.09 114.38 124.52 2dkz h ARG 28 Ca -0.01 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 2dkz h ARG 28 Cb 1.43 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.91 2dkz h ARG 28 CO 0.08 0.16 -0.25 0.35 2.80 0.00 0.00 179.97 183.11 2dkz h PHE 29 N 0.24 -0.66 0.00 2.20 3.57 -1.58 -2.06 116.94 118.66 2dkz h PHE 29 Ca 0.41 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.84 2dkz h PHE 29 Cb 1.24 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 2dkz h PHE 29 CO -0.00 -0.33 -0.48 -0.84 -2.23 0.00 0.00 178.31 174.43 2dkz h ILE 30 N -0.33 0.87 -3.00 1.41 3.07 -1.52 -3.49 117.51 114.52 2dkz h ILE 30 Ca 0.09 -2.09 0.00 0.00 1.55 0.00 0.00 64.86 64.41 2dkz h ILE 30 Cb 0.46 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.35 2dkz h ILE 30 CO -0.29 0.47 -0.00 0.61 -1.05 0.00 0.00 178.15 177.89 2dkz n GLY 31 N 1.04 -2.28 3.86 0.16 0.00 -0.08 -5.11 105.19 102.78 2dkz n GLY 31 Ca 0.02 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.25 2.61 0.40 0.99 1.43 -1.25 -5.04 118.68 117.57 2dkz s LEU 32 Ca 0.00 -1.35 -0.25 0.00 -1.03 0.00 0.00 54.13 51.50 2dkz s LEU 32 Cb -0.00 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 45.05 2dkz s LEU 32 CO 0.00 -1.01 1.15 -0.44 0.23 0.00 0.00 176.35 176.28 2dkz s SER 33 N -4.16 6.53 0.45 2.29 0.01 -1.26 -4.91 113.70 112.65 2dkz s SER 33 Ca 0.27 2.31 0.16 0.00 1.31 0.00 0.00 55.95 60.00 2dkz s SER 33 Cb -0.01 -2.61 1.11 0.00 0.21 0.00 0.00 66.02 64.72 2dkz s SER 33 CO 0.16 -0.66 1.97 -0.33 0.41 0.00 0.00 173.24 174.79 2dkz h GLU 34 N 2.60 0.31 -0.45 12.44 4.39 -2.00 -0.99 114.58 130.88 2dkz h GLU 34 Ca -0.49 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 2dkz h GLU 34 Cb 1.23 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2dkz h GLU 34 CO 0.62 0.21 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.24 2dkz h ASP 35 N 0.32 0.78 0.22 1.42 3.32 -1.99 -2.47 116.42 118.03 2dkz h ASP 35 Ca 0.29 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2dkz h ASP 35 Cb 0.69 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2dkz h ASP 35 CO -0.07 0.90 -0.13 0.58 -1.72 0.00 0.00 179.24 178.79 2dkz h VAL 36 N 0.64 0.72 0.06 -1.35 2.07 -1.56 0.21 116.25 117.03 2dkz h VAL 36 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.67 2dkz h VAL 36 Cb 0.50 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2dkz h VAL 36 CO 0.02 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.71 2dkz h ILE 37 N -0.34 0.34 0.00 4.57 2.04 -1.46 -0.71 117.51 121.95 2dkz h ILE 37 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2dkz h ILE 37 Cb 0.28 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2dkz h ILE 37 CO 0.02 0.00 -0.01 0.28 0.00 0.00 0.00 178.15 178.45 2dkz h SER 38 N -0.49 0.00 0.29 1.72 0.02 -1.36 -0.50 113.55 113.23 2dkz h SER 38 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2dkz h SER 38 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2dkz h SER 38 CO -0.21 0.01 -0.13 0.15 -1.14 0.00 0.00 176.83 175.50 2dkz h PHE 39 N 0.00 0.00 0.10 3.45 3.04 0.62 -0.09 116.94 124.06 2dkz h PHE 39 Ca -0.00 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.63 2dkz h PHE 39 Cb 0.01 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 2dkz h PHE 39 CO 0.00 0.13 -1.74 0.74 -2.02 0.00 0.00 178.31 175.41 2dkz h PHE 40 N 0.00 0.38 0.00 0.41 -1.00 -0.88 -3.21 116.94 112.64 2dkz h PHE 40 Ca -0.00 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.46 2dkz h PHE 40 Cb 0.31 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2dkz h PHE 40 CO 0.00 1.69 -0.19 0.28 -1.61 0.00 0.00 178.31 178.47 2dkz h VAL 41 N -0.23 0.72 0.00 -0.55 2.07 -1.30 0.24 116.25 117.21 2dkz h VAL 41 Ca -0.39 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.21 2dkz h VAL 41 Cb 1.83 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 2dkz h VAL 41 CO 0.02 0.19 -0.76 0.00 0.02 0.00 0.00 177.57 177.04 2dkz h THR 42 N 0.00 0.76 -0.57 2.57 1.03 -1.16 -3.25 112.91 112.29 2dkz h THR 42 Ca -0.00 -2.15 -0.14 0.00 -0.01 0.00 0.00 66.41 64.10 2dkz h THR 42 Cb 0.48 2.31 -0.09 0.00 -1.07 0.00 0.00 68.15 69.78 2dkz h THR 42 CO 0.03 0.44 0.18 -0.62 -0.01 0.00 0.00 175.52 175.53 2dkz n GLU 43 N -3.13 3.33 -2.05 0.00 -0.58 -0.90 -4.87 120.64 112.44 2dkz n GLU 43 Ca -0.01 -2.44 -0.16 0.00 -0.42 0.00 0.00 57.16 54.13 2dkz n GLU 43 Cb 0.76 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.04 -1.74 -2.45 3.49 4.81 -1.16 -4.90 118.16 116.25 2dkz n LYS 44 Ca 0.31 0.84 -0.43 0.00 -0.87 0.00 0.00 58.31 58.16 2dkz n LYS 44 Cb 1.15 -5.34 -0.02 0.00 0.02 0.00 0.00 35.03 30.83 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 -2.63 4.31 0.38 3.15 -1.09 0.78 -4.99 121.20 121.12 2dkz s ILE 45 Ca 0.00 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 2dkz s ILE 45 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2dkz s ILE 45 CO 0.00 -0.12 0.01 -0.90 -1.23 0.00 0.00 174.94 172.70 2dkz n ASP 46 N 6.41 3.01 -0.09 3.58 5.68 -1.26 -4.48 116.55 129.40 2dkz n ASP 46 Ca 0.13 -2.65 -0.07 0.00 -0.50 0.00 0.00 54.79 51.71 2dkz n ASP 46 Cb 0.45 0.25 0.01 0.00 -1.14 0.00 0.00 41.12 40.69 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 0.89 0.40 2.00 6.12 0.00 -0.75 0.24 103.07 111.97 2dkz h GLY 47 Ca -0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2dkz h GLY 47 CO 0.52 0.01 -0.14 -0.57 0.00 0.00 0.00 176.54 176.35 2dkz h ASN 48 N 0.23 0.00 0.23 0.19 -1.24 -1.72 -2.55 115.58 110.72 2dkz h ASN 48 Ca 0.15 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.85 2dkz h ASN 48 Cb 0.14 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.23 2dkz h ASN 48 CO -0.17 0.14 -1.35 0.25 -1.29 0.00 0.00 177.43 175.01 2dkz h LEU 49 N 0.00 0.78 -0.08 0.34 7.12 -1.56 -3.22 115.31 118.69 2dkz h LEU 49 Ca -0.00 -0.93 0.02 0.00 0.13 0.00 0.00 57.88 57.10 2dkz h LEU 49 Cb 0.33 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 2dkz h LEU 49 CO 0.02 1.65 -0.03 0.25 -0.13 0.00 0.00 178.44 180.21 2dkz h LEU 50 N 0.04 -0.09 -2.29 2.25 5.85 -0.24 -0.03 115.31 120.79 2dkz h LEU 50 Ca -0.24 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2dkz h LEU 50 Cb 2.07 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 2dkz h LEU 50 CO 0.25 -0.03 0.08 -0.37 -0.34 0.00 0.00 178.44 178.03 2dkz h VAL 51 N -0.01 0.60 0.00 1.05 -1.51 -1.59 -0.58 116.25 114.20 2dkz h VAL 51 Ca 0.04 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.29 2dkz h VAL 51 Cb 0.07 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 2dkz h VAL 51 CO -0.09 0.00 -1.14 1.56 -1.23 0.00 0.00 177.57 176.68 2dkz h GLN 52 N 0.00 0.00 -6.80 5.19 4.20 -1.27 -3.46 115.11 112.97 2dkz h GLN 52 Ca 0.04 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.22 2dkz h GLN 52 Cb 0.21 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.07 2dkz h GLN 52 CO -0.00 0.82 0.86 -0.51 -0.67 0.00 0.00 178.83 179.33 2dkz s LEU 53 N -6.52 4.35 0.39 1.46 1.43 -0.13 -5.01 118.68 114.65 2dkz s LEU 53 Ca -0.00 2.91 0.08 0.00 -1.03 0.00 0.00 54.13 56.08 2dkz s LEU 53 Cb 0.09 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 2dkz s LEU 53 CO 0.81 -0.87 0.03 0.42 0.23 0.00 0.00 176.35 176.97 2dkz s THR 54 N -0.09 2.19 0.47 5.49 -4.23 -1.26 -4.99 115.64 113.22 2dkz s THR 54 Ca 0.62 -1.96 0.19 0.00 -1.18 0.00 0.00 61.69 59.36 2dkz s THR 54 Cb -0.47 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2dkz s THR 54 CO 0.48 -0.06 2.07 -0.08 -0.54 0.00 0.00 174.62 176.49 2dkz h GLU 55 N 1.73 0.00 -0.03 3.99 4.81 -1.95 0.66 114.58 123.79 2dkz h GLU 55 Ca -0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.60 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 0.75 0.12 -0.76 0.93 -0.73 0.00 0.00 179.01 179.32 2dkz h GLU 56 N 0.00 0.56 0.00 1.92 4.39 -1.98 -2.68 114.58 116.79 2dkz h GLU 56 Ca -0.00 -0.57 -0.09 0.00 0.34 0.00 0.00 59.36 59.04 2dkz h GLU 56 Cb 0.23 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2dkz h GLU 56 CO 0.02 1.19 -0.43 0.82 -1.16 0.00 0.00 179.01 179.44 2dkz h ILE 57 N 0.16 0.91 0.00 3.13 2.04 -1.86 0.83 117.51 122.72 2dkz h ILE 57 Ca -0.09 -1.77 -0.11 0.00 1.00 0.00 0.00 64.86 63.89 2dkz h ILE 57 Cb 1.44 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 2dkz h ILE 57 CO 0.15 0.42 -0.52 -0.07 0.00 0.00 0.00 178.15 178.14 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.90 -1.17 115.31 118.06 2dkz h LEU 58 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2dkz h LEU 58 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2dkz h LEU 58 CO 0.06 0.52 -2.02 -0.24 0.09 0.00 0.00 178.44 176.84 2dkz n SER 59 N -3.35 0.25 -0.05 -0.43 2.88 -1.01 -0.54 113.62 111.36 2dkz n SER 59 Ca 0.01 0.11 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 2dkz n SER 59 Cb 0.68 0.99 -0.01 0.00 -0.75 0.00 0.00 64.21 65.12 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 -0.88 -3.26 114.58 113.38 2dkz h GLU 60 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2dkz h GLU 60 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 2dkz h GLU 60 CO 0.03 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.41 2dkz n ASP 61 N -4.53 0.00 -0.27 1.42 2.03 -0.46 -4.19 116.55 110.54 2dkz n ASP 61 Ca -0.03 0.41 0.05 0.00 0.52 0.00 0.00 54.79 55.75 2dkz n ASP 61 Cb 0.11 -0.30 0.19 0.00 -0.72 0.00 0.00 41.12 40.39 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2dkz h PHE 62 N 0.00 0.65 -2.33 -0.67 -1.00 -1.59 -3.45 116.94 108.54 2dkz h PHE 62 Ca 0.00 0.03 -0.39 0.00 2.81 0.00 0.00 57.97 60.42 2dkz h PHE 62 Cb 0.00 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.34 2dkz h PHE 62 CO 0.03 0.15 -0.47 1.17 -1.61 0.00 0.00 178.31 177.59 2dkz n LYS 63 N -4.91 -1.51 -0.26 1.51 4.81 0.30 -4.96 118.16 113.13 2dkz n LYS 63 Ca 0.15 1.01 -0.31 0.00 -0.87 0.00 0.00 58.31 58.28 2dkz n LYS 63 Cb 0.39 -5.53 0.30 0.00 0.02 0.00 0.00 35.03 30.21 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 -5.33 -1.61 0.58 3.14 1.43 -1.02 -4.97 118.68 110.90 2dkz s LEU 64 Ca 0.00 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 2dkz s LEU 64 Cb 0.00 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2dkz s LEU 64 CO 0.00 -5.69 1.03 -0.55 0.23 0.00 0.00 176.35 171.37 2dkz s SER 65 N -3.15 6.12 0.27 2.29 0.15 -1.26 -4.82 113.70 113.31 2dkz s SER 65 Ca 0.68 1.63 -0.00 0.00 0.70 0.00 0.00 55.95 58.97 2dkz s SER 65 Cb -0.12 -2.51 0.52 0.00 -1.71 0.00 0.00 66.02 62.20 2dkz s SER 65 CO 0.57 -0.93 1.83 0.50 1.20 0.00 0.00 173.24 176.41 2dkz h LYS 66 N 0.35 0.92 -0.52 5.44 3.64 -1.99 0.12 116.57 124.54 2dkz h LYS 66 Ca -0.46 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 2dkz h LYS 66 Cb 1.20 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 2dkz h LYS 66 CO 0.60 0.61 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.32 2dkz h LEU 67 N 0.95 0.84 0.08 5.20 -0.00 -1.99 -2.41 115.31 117.99 2dkz h LEU 67 Ca 0.47 -0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2dkz h LEU 67 Cb 0.46 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2dkz h LEU 67 CO -0.26 0.91 -0.04 1.56 -0.00 0.00 0.00 178.44 180.61 2dkz h GLN 68 N 0.81 -0.10 -0.40 1.13 4.20 -1.51 -1.27 115.11 117.96 2dkz h GLN 68 Ca 0.15 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.99 2dkz h GLN 68 Cb 0.49 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2dkz h GLN 68 CO 0.02 0.37 0.36 0.28 -0.67 0.00 0.00 178.83 179.19 2dkz h VAL 69 N -0.62 0.55 0.00 -0.54 2.07 -0.81 0.33 116.25 117.23 2dkz h VAL 69 Ca -0.01 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 2dkz h VAL 69 Cb 0.51 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2dkz h VAL 69 CO 0.02 0.00 -1.23 0.50 0.02 0.00 0.00 177.57 176.88 2dkz h LYS 70 N 0.00 0.00 0.00 1.57 3.64 -1.34 -2.88 116.57 117.57 2dkz h LYS 70 Ca 0.19 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 2dkz h LYS 70 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2dkz h LYS 70 CO -0.00 0.44 -0.84 -0.22 -2.27 0.00 0.00 179.45 176.56 2dkz h LYS 71 N 0.00 0.00 0.00 1.90 3.64 0.56 -2.97 116.57 119.71 2dkz h LYS 71 Ca -0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 2dkz h LYS 71 Cb 1.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2dkz h LYS 71 CO 0.06 0.59 -0.30 0.82 -2.27 0.00 0.00 179.45 178.35 2dkz h ILE 72 N 0.00 0.99 -0.44 2.00 2.04 -0.63 -3.27 117.51 118.20 2dkz h ILE 72 Ca -0.05 -1.84 0.05 0.00 1.00 0.00 0.00 64.86 64.02 2dkz h ILE 72 Cb 1.54 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 39.54 2dkz h ILE 72 CO 0.08 0.34 0.18 0.24 0.00 0.00 0.00 178.15 178.99 2dkz h MET 73 N -1.00 0.36 -0.33 2.37 2.86 -1.66 -0.48 114.93 117.05 2dkz h MET 73 Ca -0.07 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2dkz h MET 73 Cb 0.76 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2dkz h MET 73 CO -0.04 0.24 0.29 -0.56 1.06 0.00 0.00 176.91 177.90 2dkz h GLN 74 N 0.37 0.00 0.00 1.72 -0.00 -1.69 0.17 115.11 115.69 2dkz h GLN 74 Ca 0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.67 2dkz h GLN 74 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.61 2dkz h GLN 74 CO -0.18 0.00 -0.85 0.35 -0.00 0.00 0.00 178.83 178.15 2dkz h PHE 75 N 0.00 0.00 -0.12 0.06 3.57 -1.16 0.85 116.94 120.14 2dkz h PHE 75 Ca 0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2dkz h PHE 75 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2dkz h PHE 75 CO 0.00 0.83 -0.31 0.82 -2.23 0.00 0.00 178.31 177.42 2dkz h ILE 76 N 0.00 1.38 0.11 1.41 2.04 -0.08 -3.34 117.51 119.02 2dkz h ILE 76 Ca -0.02 -1.60 -0.24 0.00 1.00 0.00 0.00 64.86 64.00 2dkz h ILE 76 Cb 1.64 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2dkz h ILE 76 CO 0.11 0.47 -1.20 0.78 0.00 0.00 0.00 178.15 178.31 2dkz h ASN 77 N 0.01 0.36 -2.57 1.72 2.35 -1.48 -3.48 115.58 112.50 2dkz h ASN 77 Ca -0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2dkz h ASN 77 Cb 0.91 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2dkz h ASN 77 CO 0.07 1.53 0.00 0.61 -1.65 0.00 0.00 177.43 177.99 2dkz n GLY 78 N 1.70 -2.39 3.65 2.83 0.00 0.29 -5.01 105.19 106.25 2dkz n GLY 78 Ca -0.22 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2dkz n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkz s SER 79 N 0.00 6.41 0.00 1.61 1.04 -1.25 -4.94 113.70 116.57 2dkz s SER 79 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2dkz s SER 79 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2dkz s SER 79 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dkz n GLY 80 N 4.11 -0.28 0.17 7.32 0.00 -1.26 -4.50 105.19 110.75 2dkz n GLY 80 Ca -0.08 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.18 2dkz n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkz h PRO 81 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.43 132.00 128.27 2dkz h PRO 81 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dkz h PRO 81 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dkz h PRO 81 CO 0.00 0.46 0.00 0.43 -0.23 0.00 0.00 178.00 178.66 2dkz n SER 82 N -3.91 -0.80 -0.89 1.44 7.64 -1.26 -5.17 113.62 110.68 2dkz n SER 82 Ca -0.01 0.20 0.02 0.00 1.01 0.00 0.00 58.87 60.09 2dkz n SER 82 Cb 0.49 1.02 -0.00 0.00 -1.01 0.00 0.00 64.21 64.71 2dkz n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkz n SER 83 N -2.74 -5.34 0.00 6.43 2.88 -1.26 -4.98 113.62 108.60 2dkz n SER 83 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2dkz n SER 83 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42