#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 -7.09 0.00 1.61 7.64 -1.26 -4.70 113.62 109.81 2dkz n SER 2 Ca 0.00 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2dkz n SER 2 Cb 0.00 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.22 2dkz n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkz n SER 3 N -3.60 0.00 0.00 6.43 2.88 -1.26 -5.11 113.62 112.96 2dkz n SER 3 Ca 0.00 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2dkz n SER 3 Cb 0.30 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 4 N 2.10 2.40 0.10 0.46 0.00 -1.26 -5.04 105.19 103.94 2dkz n GLY 4 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.00 -2.90 1.61 7.64 -1.26 -4.93 113.62 114.78 2dkz n SER 5 Ca 0.00 -0.03 0.02 0.00 1.01 0.00 0.00 58.87 59.87 2dkz n SER 5 Cb 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2dkz n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkz s SER 6 N -5.46 -0.66 0.20 6.43 1.04 -1.26 -5.17 113.70 108.82 2dkz s SER 6 Ca -0.14 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 2dkz s SER 6 Cb 0.06 0.87 0.01 0.00 0.10 0.00 0.00 66.02 67.05 2dkz s SER 6 CO 0.68 -0.08 0.44 -0.83 0.98 0.00 0.00 173.24 174.44 2dkz s GLY 7 N 1.97 0.28 0.59 7.32 0.00 -1.26 -5.16 107.32 111.06 2dkz s GLY 7 Ca 0.15 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 2dkz s GLY 7 CO -0.13 -0.55 1.12 2.56 0.00 0.00 0.00 173.10 176.10 2dkz s PRO 8 N -3.95 3.14 0.41 2.90 0.04 -1.26 -5.01 135.00 131.27 2dkz s PRO 8 Ca 0.16 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2dkz s PRO 8 Cb 0.00 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2dkz s PRO 8 CO 0.02 -1.00 1.06 -0.46 0.04 0.00 0.00 177.00 176.66 2dkz s TRP 9 N -1.99 3.21 0.10 0.56 -0.00 -1.26 -5.06 118.94 114.49 2dkz s TRP 9 Ca 0.70 1.63 -0.09 0.00 -0.00 0.00 0.00 56.10 58.34 2dkz s TRP 9 Cb -0.23 -3.16 -0.00 0.00 -0.00 0.00 0.00 33.47 30.09 2dkz s TRP 9 CO 0.33 -0.75 0.20 -0.65 -0.00 0.00 0.00 176.95 176.08 2dkz s GLN 10 N -2.56 0.88 0.56 5.86 -0.21 -1.26 -5.08 119.66 117.85 2dkz s GLN 10 Ca 0.59 -0.99 -0.19 0.00 0.02 0.00 0.00 55.36 54.79 2dkz s GLN 10 Cb -0.23 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.08 2dkz s GLN 10 CO 0.28 -0.28 1.13 -1.25 -2.12 0.00 0.00 175.29 173.04 2dkz s PRO 11 N -3.88 3.25 0.90 2.91 0.04 -1.26 -5.05 135.00 131.92 2dkz s PRO 11 Ca 0.06 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 2dkz s PRO 11 Cb 0.05 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.82 2dkz s PRO 11 CO -0.10 -0.92 0.80 -0.35 0.04 0.00 0.00 177.00 176.47 2dkz n PRO 12 N -1.51 -2.58 -1.07 0.56 -0.04 -1.26 -4.96 135.00 124.15 2dkz n PRO 12 Ca 0.11 -1.28 -0.15 0.00 -0.04 0.00 0.00 63.50 62.15 2dkz n PRO 12 Cb 0.51 -1.20 0.21 0.00 -0.04 0.00 0.00 33.50 32.99 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 -4.37 5.03 0.00 0.55 0.00 -1.26 -4.42 120.51 116.04 2dkz n ALA 13 Ca -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.47 2dkz n ALA 13 Cb 0.43 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2dkz n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dkz n ASP 14 N -0.92 0.26 -2.10 0.00 8.00 -1.26 -5.02 116.55 115.51 2dkz n ASP 14 Ca 0.49 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.82 2dkz n ASP 14 Cb 1.45 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.52 2dkz n ASP 14 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dkz n LEU 15 N -1.81 -1.50 -3.87 0.64 4.32 -1.26 -4.90 117.00 108.62 2dkz n LEU 15 Ca 0.00 0.20 -0.33 0.00 -0.02 0.00 0.00 56.01 55.86 2dkz n LEU 15 Cb 0.04 -2.57 -0.07 0.00 -1.62 0.00 0.00 43.42 39.21 2dkz n LEU 15 CO 0.00 -0.44 0.31 -1.54 -1.22 0.00 0.00 177.39 174.50 2dkz n SER 16 N -1.60 4.18 0.00 -1.43 3.41 -1.26 -3.22 113.62 113.70 2dkz n SER 16 Ca -0.20 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 2dkz n SER 16 Cb 0.63 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.70 0.38 3.64 5.00 0.00 -1.26 -4.80 105.19 109.84 2dkz n GLY 17 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2dkz n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkz n LEU 18 N 0.00 2.84 -4.83 0.99 4.77 -1.26 -4.77 117.00 114.73 2dkz n LEU 18 Ca 0.00 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 2dkz n LEU 18 Cb 0.00 -1.40 0.13 0.00 -2.33 0.00 0.00 43.42 39.82 2dkz n LEU 18 CO 0.00 -1.01 0.75 -0.94 -1.33 0.00 0.00 177.39 174.86 2dkz s SER 19 N -0.50 3.76 0.47 -1.43 1.04 -1.26 -0.12 113.70 115.65 2dkz s SER 19 Ca 0.59 0.84 0.15 0.00 0.48 0.00 0.00 55.95 58.00 2dkz s SER 19 Cb -0.60 -1.34 1.08 0.00 0.10 0.00 0.00 66.02 65.26 2dkz s SER 19 CO 0.60 -2.38 2.04 0.40 0.98 0.00 0.00 173.24 174.88 2dkz h ILE 20 N -1.38 1.09 0.00 -1.02 2.04 -1.94 -1.52 117.51 114.78 2dkz h ILE 20 Ca -0.48 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 2dkz h ILE 20 Cb 1.32 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 2dkz h ILE 20 CO 0.61 0.12 -0.63 -0.08 0.00 0.00 0.00 178.15 178.17 2dkz h GLU 21 N 0.02 0.00 -0.05 2.37 4.57 -1.92 -3.27 114.58 116.29 2dkz h GLU 21 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 2dkz h GLU 21 Cb 0.22 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2dkz h GLU 21 CO 0.02 0.63 -0.95 0.93 -1.18 0.00 0.00 179.01 178.45 2dkz h GLU 22 N 0.00 0.73 -0.89 1.92 4.39 -1.66 -3.23 114.58 115.84 2dkz h GLU 22 Ca -0.01 -0.72 0.14 0.00 0.34 0.00 0.00 59.36 59.11 2dkz h GLU 22 Cb 1.39 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 30.16 2dkz h GLU 22 CO 0.08 1.31 0.57 0.28 -1.16 0.00 0.00 179.01 180.09 2dkz h VAL 23 N 0.43 0.84 -0.62 3.13 2.07 -1.42 0.69 116.25 121.37 2dkz h VAL 23 Ca -0.11 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.33 2dkz h VAL 23 Cb 1.60 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2dkz h VAL 23 CO 0.19 0.13 0.43 0.28 0.02 0.00 0.00 177.57 178.62 2dkz h SER 24 N 0.70 0.10 0.72 0.57 0.02 -1.64 0.64 113.55 114.66 2dkz h SER 24 Ca 0.45 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.23 2dkz h SER 24 Cb 0.70 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2dkz h SER 24 CO -0.20 0.05 -1.40 0.11 -1.14 0.00 0.00 176.83 174.25 2dkz h LYS 25 N 0.11 0.00 -0.97 3.45 1.57 -1.04 -3.33 116.57 116.36 2dkz h LYS 25 Ca 0.30 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.14 2dkz h LYS 25 Cb 1.02 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.26 2dkz h LYS 25 CO -0.03 0.32 0.62 0.77 -0.57 0.00 0.00 179.45 180.56 2dkz h SER 26 N 0.00 0.99 0.61 0.86 0.02 -0.14 -1.35 113.55 114.54 2dkz h SER 26 Ca -0.17 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 2dkz h SER 26 Cb 1.61 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 2dkz h SER 26 CO 0.05 0.63 -0.71 -0.07 -1.14 0.00 0.00 176.83 175.59 2dkz h LEU 27 N 1.12 0.10 -2.11 5.07 3.38 -1.65 -3.06 115.31 118.16 2dkz h LEU 27 Ca 0.42 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.41 2dkz h LEU 27 Cb 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2dkz h LEU 27 CO -0.18 0.77 0.30 -0.09 0.09 0.00 0.00 178.44 179.33 2dkz h ARG 28 N 0.05 0.00 -0.59 1.13 2.43 -1.35 -0.84 114.38 115.21 2dkz h ARG 28 Ca -0.01 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2dkz h ARG 28 Cb 1.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 2dkz h ARG 28 CO 0.10 0.00 0.24 0.35 -1.51 0.00 0.00 179.97 179.15 2dkz h PHE 29 N 0.00 0.43 0.00 2.20 3.57 -1.46 -2.54 116.94 119.13 2dkz h PHE 29 Ca 0.14 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 2dkz h PHE 29 Cb 0.73 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2dkz h PHE 29 CO 0.00 0.14 -1.45 0.44 -2.23 0.00 0.00 178.31 175.21 2dkz n ILE 30 N -4.96 1.22 -1.02 1.41 -5.35 -0.56 -5.04 119.36 105.07 2dkz n ILE 30 Ca 0.08 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 2dkz n ILE 30 Cb 0.24 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.38 2dkz n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dkz n GLY 31 N 1.41 -0.41 4.01 3.28 0.00 -0.43 -5.12 105.19 107.94 2dkz n GLY 31 Ca -0.10 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.61 2.91 0.41 0.99 1.43 -1.25 -5.04 118.68 117.52 2dkz s LEU 32 Ca 0.00 -1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 51.84 2dkz s LEU 32 Cb 0.00 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.77 2dkz s LEU 32 CO 0.00 -1.37 1.15 -0.44 0.23 0.00 0.00 176.35 175.92 2dkz s SER 33 N -4.61 6.49 0.53 2.29 0.01 -1.26 -4.91 113.70 112.24 2dkz s SER 33 Ca 0.55 2.28 0.23 0.00 1.31 0.00 0.00 55.95 60.32 2dkz s SER 33 Cb -0.04 -2.61 1.37 0.00 0.21 0.00 0.00 66.02 64.95 2dkz s SER 33 CO 0.35 -0.69 2.04 -0.33 0.41 0.00 0.00 173.24 175.02 2dkz h GLU 34 N 2.50 0.00 -0.04 12.44 5.08 -2.01 0.21 114.58 132.77 2dkz h GLU 34 Ca -0.49 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.69 2dkz h GLU 34 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dkz h GLU 34 CO 0.62 0.00 -0.77 -0.44 -1.00 0.00 0.00 179.01 177.42 2dkz h ASP 35 N 0.00 0.36 0.20 1.42 3.32 -1.99 -3.09 116.42 116.64 2dkz h ASP 35 Ca 0.18 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2dkz h ASP 35 Cb 0.71 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2dkz h ASP 35 CO -0.00 1.00 -0.10 0.58 -1.72 0.00 0.00 179.24 179.00 2dkz h VAL 36 N 0.19 0.87 -0.22 -1.35 2.07 -1.33 -0.53 116.25 115.95 2dkz h VAL 36 Ca -0.03 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2dkz h VAL 36 Cb 1.36 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 2dkz h VAL 36 CO 0.12 0.09 -0.15 0.40 0.02 0.00 0.00 177.57 178.05 2dkz h ILE 37 N -0.47 0.57 0.00 4.57 2.04 -1.55 -0.28 117.51 122.39 2dkz h ILE 37 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2dkz h ILE 37 Cb 0.36 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2dkz h ILE 37 CO 0.05 0.00 -0.14 0.77 0.00 0.00 0.00 178.15 178.83 2dkz h SER 38 N -0.15 0.00 0.28 1.72 4.64 -1.52 -1.73 113.55 116.78 2dkz h SER 38 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2dkz h SER 38 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2dkz h SER 38 CO -0.31 0.14 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.39 2dkz h PHE 39 N 0.00 0.00 0.10 4.77 0.04 0.65 0.47 116.94 122.97 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 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2dkz h PHE 39 CO 0.00 0.14 -1.64 0.74 -0.60 0.00 0.00 178.31 176.96 2dkz h PHE 40 N 0.00 0.37 0.00 -0.55 -1.00 -1.04 -3.21 116.94 111.51 2dkz h PHE 40 Ca -0.00 -0.27 -0.05 0.00 2.81 0.00 0.00 57.97 60.46 2dkz h PHE 40 Cb 0.32 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 2dkz h PHE 40 CO 0.00 1.64 -0.24 0.28 -1.61 0.00 0.00 178.31 178.38 2dkz h VAL 41 N -0.29 0.88 0.00 -0.55 2.07 -1.31 0.16 116.25 117.20 2dkz h VAL 41 Ca -0.37 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.12 2dkz h VAL 41 Cb 1.78 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 2dkz h VAL 41 CO 0.01 0.24 -0.56 0.00 0.02 0.00 0.00 177.57 177.29 2dkz h THR 42 N 0.00 0.81 -0.56 2.57 1.03 -1.05 -3.21 112.91 112.50 2dkz h THR 42 Ca -0.00 -2.17 -0.14 0.00 -0.01 0.00 0.00 66.41 64.09 2dkz h THR 42 Cb 0.53 2.38 -0.08 0.00 -1.07 0.00 0.00 68.15 69.91 2dkz h THR 42 CO 0.03 0.46 0.18 -0.62 -0.01 0.00 0.00 175.52 175.56 2dkz n GLU 43 N -3.20 3.34 -2.10 0.00 -0.58 -0.92 -4.87 120.64 112.32 2dkz n GLU 43 Ca 0.01 -2.43 -0.16 0.00 -0.42 0.00 0.00 57.16 54.17 2dkz n GLU 43 Cb 0.74 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 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 0.05 -1.79 -2.51 3.49 4.81 -1.17 -4.90 118.16 116.14 2dkz n LYS 44 Ca 0.30 0.81 -0.43 0.00 -0.87 0.00 0.00 58.31 58.13 2dkz n LYS 44 Cb 1.14 -5.32 -0.02 0.00 0.02 0.00 0.00 35.03 30.85 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 -2.62 4.41 0.02 3.15 -1.09 0.51 -4.99 121.20 120.57 2dkz s ILE 45 Ca 0.00 1.71 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 2dkz s ILE 45 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2dkz s ILE 45 CO 0.00 -0.10 0.00 -0.90 -1.23 0.00 0.00 174.94 172.71 2dkz n ASP 46 N 6.06 1.94 0.46 3.58 5.75 -1.26 -4.48 116.55 128.59 2dkz n ASP 46 Ca 0.12 -1.07 -0.20 0.00 -0.01 0.00 0.00 54.79 53.64 2dkz n ASP 46 Cb 0.46 0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.46 2dkz n ASP 46 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dkz h GLY 47 N 0.04 -1.23 1.23 6.12 0.00 -0.69 0.13 103.07 108.67 2dkz h GLY 47 Ca -0.01 0.46 0.10 0.00 0.00 0.00 0.00 47.33 47.88 2dkz h GLY 47 CO 0.02 -0.44 0.29 -0.57 0.00 0.00 0.00 176.54 175.84 2dkz h ASN 48 N -1.16 0.00 0.01 0.19 -1.24 -1.73 -1.43 115.58 110.22 2dkz h ASN 48 Ca -0.12 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.79 2dkz h ASN 48 Cb 0.90 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.96 2dkz h ASN 48 CO 0.18 0.00 -0.42 0.25 -1.29 0.00 0.00 177.43 176.15 2dkz h LEU 49 N 0.00 0.36 -0.15 0.34 7.12 -1.75 -3.03 115.31 118.20 2dkz h LEU 49 Ca 0.16 -0.79 0.04 0.00 0.13 0.00 0.00 57.88 57.42 2dkz h LEU 49 Cb 0.74 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.72 2dkz h LEU 49 CO -0.00 1.10 -0.07 0.25 -0.13 0.00 0.00 178.44 179.58 2dkz h LEU 50 N -0.35 -0.24 -2.37 2.25 5.85 0.28 0.93 115.31 121.67 2dkz h LEU 50 Ca -0.05 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dkz h LEU 50 Cb 1.17 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2dkz h LEU 50 CO 0.08 -0.10 -0.00 -0.37 -0.34 0.00 0.00 178.44 177.71 2dkz h VAL 51 N -0.06 0.62 0.01 1.05 -1.51 -1.50 -1.18 116.25 113.69 2dkz h VAL 51 Ca 0.08 -0.01 -0.23 0.00 -1.23 0.00 0.00 66.70 65.31 2dkz h VAL 51 Cb 0.18 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2dkz h VAL 51 CO -0.19 0.00 -1.16 1.56 -1.23 0.00 0.00 177.57 176.55 2dkz h GLN 52 N 0.00 0.02 -6.96 5.19 4.20 -1.01 -3.46 115.11 113.08 2dkz h GLN 52 Ca -0.00 -0.03 -0.55 0.00 0.06 0.00 0.00 58.65 58.13 2dkz h GLN 52 Cb 0.01 0.01 0.12 0.00 0.30 0.00 0.00 27.48 27.92 2dkz h GLN 52 CO 0.00 0.91 0.69 1.28 -0.67 0.00 0.00 178.83 181.05 2dkz n LEU 53 N -3.30 4.97 -4.50 1.46 4.77 0.17 -5.02 117.00 115.56 2dkz n LEU 53 Ca -0.04 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.84 2dkz n LEU 53 Cb 0.97 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.36 2dkz n LEU 53 CO 0.47 -0.16 -0.31 0.42 -1.33 0.00 0.00 177.39 176.48 2dkz s THR 54 N -1.18 1.58 0.36 -5.08 -4.23 -1.26 -5.00 115.64 100.83 2dkz s THR 54 Ca 0.60 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 2dkz s THR 54 Cb -0.46 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 70.82 2dkz s THR 54 CO 0.58 -0.09 1.93 -0.08 -0.54 0.00 0.00 174.62 176.43 2dkz h GLU 55 N 2.06 0.54 -0.22 3.99 4.81 -1.95 0.19 114.58 123.99 2dkz h GLU 55 Ca -0.41 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2dkz h GLU 55 Cb 1.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2dkz h GLU 55 CO 0.72 0.50 0.03 0.93 -0.73 0.00 0.00 179.01 180.46 2dkz h GLU 56 N 0.53 0.37 -0.03 1.92 5.08 -1.98 -1.98 114.58 118.49 2dkz h GLU 56 Ca 0.12 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2dkz h GLU 56 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2dkz h GLU 56 CO -0.00 0.53 -0.72 0.82 -1.00 0.00 0.00 179.01 178.64 2dkz h ILE 57 N 0.16 1.45 0.00 3.13 2.04 -1.90 0.13 117.51 122.52 2dkz h ILE 57 Ca 0.07 -2.29 -0.05 0.00 1.00 0.00 0.00 64.86 63.58 2dkz h ILE 57 Cb 0.34 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2dkz h ILE 57 CO 0.01 0.67 -0.25 -0.07 0.00 0.00 0.00 178.15 178.51 2dkz h LEU 58 N 0.11 0.00 0.00 1.44 3.38 -0.53 0.12 115.31 119.82 2dkz h LEU 58 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 2dkz h LEU 58 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2dkz h LEU 58 CO 0.11 0.25 -2.20 -0.24 0.09 0.00 0.00 178.44 176.44 2dkz n SER 59 N -3.79 0.07 -0.04 -0.43 2.88 -0.75 -0.84 113.62 110.72 2dkz n SER 59 Ca -0.01 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2dkz n SER 59 Cb 0.35 1.23 -0.00 0.00 -0.75 0.00 0.00 64.21 65.04 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 0.01 -1.46 4.39 -0.59 -3.22 114.58 113.70 2dkz h GLU 60 Ca -0.36 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 2dkz h GLU 60 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2dkz h GLU 60 CO 0.02 0.00 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.43 2dkz h ASP 61 N -0.72 -0.01 -0.77 1.42 5.19 -1.00 -3.36 116.42 117.17 2dkz h ASP 61 Ca 0.00 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.53 2dkz h ASP 61 Cb 0.07 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.49 2dkz h ASP 61 CO 0.00 0.01 0.37 -0.26 -3.12 0.00 0.00 179.24 176.24 2dkz h PHE 62 N -0.04 0.65 -2.24 4.55 0.04 -1.55 -3.45 116.94 114.90 2dkz h PHE 62 Ca -0.00 0.03 -0.41 0.00 2.80 0.00 0.00 57.97 60.39 2dkz h PHE 62 Cb 0.01 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 37.91 2dkz h PHE 62 CO 0.03 0.17 -0.47 1.17 -0.60 0.00 0.00 178.31 178.61 2dkz n LYS 63 N -4.90 -1.56 -0.26 1.51 4.81 -0.02 -4.95 118.16 112.80 2dkz n LYS 63 Ca 0.14 1.07 -0.30 0.00 -0.87 0.00 0.00 58.31 58.34 2dkz n LYS 63 Cb 0.36 -5.61 0.29 0.00 0.02 0.00 0.00 35.03 30.10 2dkz n LYS 63 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dkz n LEU 64 N -2.72 -0.53 -4.77 3.14 4.77 -1.00 -4.97 117.00 110.92 2dkz n LEU 64 Ca -0.23 -0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 54.68 2dkz n LEU 64 Cb 0.68 -1.05 0.13 0.00 -2.33 0.00 0.00 43.42 40.85 2dkz n LEU 64 CO 0.29 -4.47 0.70 -0.55 -1.33 0.00 0.00 177.39 172.03 2dkz s SER 65 N -2.99 3.59 0.26 -1.43 0.15 -1.26 -4.81 113.70 107.20 2dkz s SER 65 Ca 0.68 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 58.42 2dkz s SER 65 Cb -0.14 -1.74 0.32 0.00 -1.71 0.00 0.00 66.02 62.75 2dkz s SER 65 CO 0.58 -2.52 1.73 0.07 1.20 0.00 0.00 173.24 174.31 2dkz h LYS 66 N -1.47 0.73 -0.36 5.44 2.10 -1.99 -1.07 116.57 119.96 2dkz h LYS 66 Ca -0.50 -0.23 -0.13 0.00 -2.00 0.00 0.00 60.65 57.79 2dkz h LYS 66 Cb 1.31 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2dkz h LYS 66 CO 0.60 0.80 -0.28 -0.07 -2.00 0.00 0.00 179.45 178.51 2dkz h LEU 67 N 0.67 0.87 0.30 7.07 -0.00 -1.99 -2.66 115.31 119.56 2dkz h LEU 67 Ca 0.12 -0.44 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 2dkz h LEU 67 Cb 0.54 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2dkz h LEU 67 CO 0.03 1.13 -0.14 1.56 -0.00 0.00 0.00 178.44 181.02 2dkz h GLN 68 N 0.61 -0.38 -0.81 1.13 4.20 -1.89 -0.45 115.11 117.52 2dkz h GLN 68 Ca 0.07 0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.02 2dkz h GLN 68 Cb 0.85 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 2dkz h GLN 68 CO 0.07 -0.07 0.57 0.28 -0.67 0.00 0.00 178.83 179.01 2dkz h VAL 69 N -0.72 0.64 0.04 -0.54 2.07 -1.26 0.12 116.25 116.60 2dkz h VAL 69 Ca -0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2dkz h VAL 69 Cb 0.49 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2dkz h VAL 69 CO 0.07 0.02 -0.02 0.50 0.02 0.00 0.00 177.57 178.16 2dkz h LYS 70 N 0.12 -0.06 -0.38 1.57 3.64 -1.31 -2.78 116.57 117.38 2dkz h LYS 70 Ca 0.40 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2dkz h LYS 70 Cb 1.38 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 2dkz h LYS 70 CO -0.05 0.50 0.03 -0.22 -2.27 0.00 0.00 179.45 177.44 2dkz h LYS 71 N -0.95 0.14 0.19 1.90 3.64 -0.36 -0.70 116.57 120.43 2dkz h LYS 71 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2dkz h LYS 71 Cb 0.58 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2dkz h LYS 71 CO 0.01 0.09 -0.18 0.82 -2.27 0.00 0.00 179.45 177.92 2dkz h ILE 72 N 0.14 0.61 -0.20 2.00 2.04 -0.93 -1.28 117.51 119.90 2dkz h ILE 72 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 2dkz h ILE 72 Cb 0.24 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2dkz h ILE 72 CO -0.28 0.00 -0.22 0.24 0.00 0.00 0.00 178.15 177.88 2dkz h MET 73 N -0.40 -0.24 -0.49 2.37 2.86 -1.17 0.39 114.93 118.25 2dkz h MET 73 Ca -0.00 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2dkz h MET 73 Cb 0.37 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2dkz h MET 73 CO -0.04 -0.16 0.34 1.96 1.06 0.00 0.00 176.91 180.07 2dkz h GLN 74 N -0.25 0.24 -0.27 1.72 4.20 -0.97 -1.06 115.11 118.72 2dkz h GLN 74 Ca 0.12 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 2dkz h GLN 74 Cb 0.44 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2dkz h GLN 74 CO -0.35 0.16 -0.44 0.35 -0.67 0.00 0.00 178.83 177.88 2dkz h PHE 75 N 0.24 0.96 -0.32 2.96 3.57 0.22 0.06 116.94 124.64 2dkz h PHE 75 Ca 0.23 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2dkz h PHE 75 Cb 0.58 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2dkz h PHE 75 CO -0.00 1.12 0.08 0.82 -2.23 0.00 0.00 178.31 178.10 2dkz h ILE 76 N 0.52 1.22 -0.05 1.41 2.04 0.11 -3.21 117.51 119.55 2dkz h ILE 76 Ca 0.02 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2dkz h ILE 76 Cb 1.04 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2dkz h ILE 76 CO 0.10 0.24 -0.04 0.78 0.00 0.00 0.00 178.15 179.23 2dkz h ASN 77 N 0.36 0.12 -0.93 1.72 2.35 -1.31 -3.50 115.58 114.39 2dkz h ASN 77 Ca 0.10 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2dkz h ASN 77 Cb 0.29 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2dkz h ASN 77 CO 0.00 0.56 0.00 0.61 -1.65 0.00 0.00 177.43 176.95 2dkz n GLY 78 N 0.15 -0.27 3.63 2.83 0.00 0.01 -5.03 105.19 106.50 2dkz n GLY 78 Ca -0.08 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2dkz n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkz s SER 79 N 0.00 6.26 0.69 1.61 0.15 -1.26 -5.05 113.70 116.10 2dkz s SER 79 Ca 0.00 0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.95 2dkz s SER 79 Cb 0.00 -2.19 0.11 0.00 -1.71 0.00 0.00 66.02 62.23 2dkz s SER 79 CO 0.00 -0.11 0.95 -0.83 1.20 0.00 0.00 173.24 174.45 2dkz s GLY 80 N 1.43 1.76 -0.88 9.45 0.00 -1.26 -4.98 107.32 112.84 2dkz s GLY 80 Ca 0.14 -1.76 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 2dkz s GLY 80 CO 0.09 -1.23 1.94 2.56 0.00 0.00 0.00 173.10 176.46 2dkz s PRO 81 N -5.05 2.56 -0.41 2.90 0.04 -1.26 -4.64 135.00 129.14 2dkz s PRO 81 Ca 0.65 -0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.50 2dkz s PRO 81 Cb -0.06 -5.02 0.31 0.00 0.04 0.00 0.00 34.50 29.77 2dkz s PRO 81 CO 0.43 -3.33 1.19 -1.13 0.04 0.00 0.00 177.00 174.19 2dkz n SER 82 N 13.88 -2.01 -4.73 6.66 3.41 -1.26 -5.14 113.62 124.44 2dkz n SER 82 Ca 0.39 -2.97 -0.37 0.00 -0.26 0.00 0.00 58.87 55.65 2dkz n SER 82 Cb 0.47 1.60 -0.06 0.00 -0.26 0.00 0.00 64.21 65.96 2dkz n SER 82 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dkz s SER 83 N -0.93 6.63 0.00 4.04 1.04 -1.26 -5.24 113.70 117.98 2dkz s SER 83 Ca 0.23 0.75 0.25 0.00 0.48 0.00 0.00 55.95 57.66 2dkz s SER 83 Cb 0.28 -2.26 0.39 0.00 0.10 0.00 0.00 66.02 64.53 2dkz s SER 83 CO -0.12 0.05 1.37 0.61 0.98 0.00 0.00 173.24 176.13