#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 6.89 0.34 1.61 0.01 -1.26 -5.07 113.70 116.22 2dkz s SER 2 Ca 0.00 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.17 2dkz s SER 2 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2dkz s SER 2 CO 0.00 -0.40 0.08 -0.24 0.41 0.00 0.00 173.24 173.10 2dkz n SER 3 N -0.16 2.69 -0.26 2.44 2.88 -1.26 -5.02 113.62 114.93 2dkz n SER 3 Ca 0.05 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 2dkz n SER 3 Cb 0.51 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.91 0.51 0.05 0.46 0.00 -1.26 -4.97 105.19 100.88 2dkz n GLY 4 Ca -0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.11 2.25 -0.12 1.61 7.64 -1.26 -4.33 113.62 119.30 2dkz n SER 5 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2dkz n SER 5 Cb 0.02 0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 63.94 2dkz n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkz n SER 6 N -2.37 1.78 -3.36 6.43 2.88 -1.26 -4.78 113.62 112.94 2dkz n SER 6 Ca -0.17 -0.11 -0.26 0.00 -1.33 0.00 0.00 58.87 57.00 2dkz n SER 6 Cb 0.82 -0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 64.00 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 7 N 2.23 3.13 3.60 0.46 0.00 -1.26 -5.08 105.19 108.27 2dkz n GLY 7 Ca -0.42 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.10 3.35 -0.08 1.61 0.04 -1.26 -4.87 135.00 132.68 2dkz s PRO 8 Ca 0.34 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 2dkz s PRO 8 Cb 0.11 -4.17 0.04 0.00 0.04 0.00 0.00 34.50 30.52 2dkz s PRO 8 CO -0.12 -1.84 0.41 -0.46 0.04 0.00 0.00 177.00 175.03 2dkz s TRP 9 N 6.66 -0.37 0.10 0.56 -0.00 -1.26 -5.11 118.94 119.51 2dkz s TRP 9 Ca 0.74 0.78 -0.08 0.00 -0.00 0.00 0.00 56.10 57.54 2dkz s TRP 9 Cb -0.20 0.17 -0.00 0.00 -0.00 0.00 0.00 33.47 33.44 2dkz s TRP 9 CO 0.33 -0.35 0.19 -0.65 -0.00 0.00 0.00 176.95 176.47 2dkz s GLN 10 N -0.62 0.87 0.56 5.86 -0.21 -1.26 -5.09 119.66 119.77 2dkz s GLN 10 Ca -0.07 -0.99 -0.19 0.00 0.02 0.00 0.00 55.36 54.13 2dkz s GLN 10 Cb -0.04 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.27 2dkz s GLN 10 CO 0.03 -0.28 1.13 -1.25 -2.12 0.00 0.00 175.29 172.80 2dkz s PRO 11 N -3.88 3.26 0.82 2.91 0.04 -1.26 -5.05 135.00 131.85 2dkz s PRO 11 Ca 0.06 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 2dkz s PRO 11 Cb 0.05 -2.00 0.20 0.00 0.04 0.00 0.00 34.50 32.80 2dkz s PRO 11 CO -0.10 -0.92 0.73 -0.35 0.04 0.00 0.00 177.00 176.40 2dkz n PRO 12 N -1.50 -2.45 -0.06 0.56 -0.04 -1.26 -5.01 135.00 125.25 2dkz n PRO 12 Ca 0.11 -1.17 -0.02 0.00 -0.04 0.00 0.00 63.50 62.39 2dkz n PRO 12 Cb 0.51 -1.09 -0.15 0.00 -0.04 0.00 0.00 33.50 32.73 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 -4.25 2.01 -0.01 0.55 0.00 -1.26 -4.48 120.51 113.07 2dkz n ALA 13 Ca -0.14 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.27 2dkz n ALA 13 Cb 0.39 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 2dkz n ALA 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2dkz h ASP 14 N 0.00 0.11 -3.15 0.00 3.32 -1.97 -3.48 116.42 111.26 2dkz h ASP 14 Ca -0.30 -0.24 -0.29 0.00 0.02 0.00 0.00 57.03 56.21 2dkz h ASP 14 Cb 1.65 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 2dkz h ASP 14 CO 0.02 1.22 -0.35 0.18 -1.72 0.00 0.00 179.24 178.58 2dkz n LEU 15 N -3.17 -1.30 -1.26 1.55 4.32 -1.26 -4.82 117.00 111.06 2dkz n LEU 15 Ca -0.20 0.18 -0.05 0.00 -0.02 0.00 0.00 56.01 55.93 2dkz n LEU 15 Cb 1.05 -2.32 0.21 0.00 -1.62 0.00 0.00 43.42 40.73 2dkz n LEU 15 CO 0.45 -0.28 0.76 -1.20 -1.22 0.00 0.00 177.39 175.91 2dkz n SER 16 N -1.62 2.82 -0.78 -1.43 7.64 -1.26 -3.54 113.62 115.45 2dkz n SER 16 Ca -0.17 -3.66 -0.04 0.00 1.01 0.00 0.00 58.87 56.02 2dkz n SER 16 Cb 0.60 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 17 N -1.04 0.73 3.85 0.23 0.00 -1.26 -4.77 105.19 102.93 2dkz n GLY 17 Ca 0.35 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 4.36 0.65 0.99 1.43 -1.26 -5.01 118.68 119.84 2dkz s LEU 18 Ca 0.01 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2dkz s LEU 18 Cb 0.01 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2dkz s LEU 18 CO -0.00 0.36 0.93 -0.94 0.23 0.00 0.00 176.35 176.93 2dkz s SER 19 N -0.78 4.99 0.53 2.29 1.04 -1.26 -0.78 113.70 119.73 2dkz s SER 19 Ca 0.14 0.30 0.24 0.00 0.48 0.00 0.00 55.95 57.11 2dkz s SER 19 Cb -0.12 -1.04 1.40 0.00 0.10 0.00 0.00 66.02 66.36 2dkz s SER 19 CO 0.03 -1.43 2.02 0.40 0.98 0.00 0.00 173.24 175.25 2dkz h ILE 20 N -0.35 0.74 -0.15 -1.02 2.04 -1.94 0.18 117.51 117.02 2dkz h ILE 20 Ca -0.44 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.23 2dkz h ILE 20 Cb 1.31 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2dkz h ILE 20 CO 0.57 0.00 -0.71 -0.33 0.00 0.00 0.00 178.15 177.69 2dkz h GLU 21 N 0.00 0.65 -0.19 2.37 3.07 -1.92 -3.21 114.58 115.35 2dkz h GLU 21 Ca 0.21 -0.50 -0.18 0.00 -0.50 0.00 0.00 59.36 58.39 2dkz h GLU 21 Cb 0.86 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2dkz h GLU 21 CO -0.00 1.12 -0.63 0.93 -1.40 0.00 0.00 179.01 179.03 2dkz h GLU 22 N 0.46 0.65 -0.97 2.33 4.39 -1.38 -3.17 114.58 116.88 2dkz h GLU 22 Ca -0.03 -0.45 0.13 0.00 0.34 0.00 0.00 59.36 59.35 2dkz h GLU 22 Cb 1.30 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.93 2dkz h GLU 22 CO 0.14 1.07 0.60 0.28 -1.16 0.00 0.00 179.01 179.94 2dkz h VAL 23 N 0.48 0.87 -0.49 3.13 2.07 -1.17 0.13 116.25 121.27 2dkz h VAL 23 Ca -0.01 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.33 2dkz h VAL 23 Cb 1.21 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2dkz h VAL 23 CO 0.12 0.17 0.35 0.28 0.02 0.00 0.00 177.57 178.51 2dkz h SER 24 N 0.91 0.06 0.52 0.57 0.02 -1.55 -0.40 113.55 113.69 2dkz h SER 24 Ca 0.50 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.26 2dkz h SER 24 Cb 0.56 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2dkz h SER 24 CO -0.29 0.03 -1.63 0.29 -1.14 0.00 0.00 176.83 174.10 2dkz n LYS 25 N -4.41 0.63 -0.33 3.45 5.02 0.24 -3.99 118.16 118.77 2dkz n LYS 25 Ca 0.09 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.61 2dkz n LYS 25 Cb 0.52 -1.74 0.24 0.00 -0.02 0.00 0.00 35.03 34.03 2dkz n LYS 25 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dkz h SER 26 N 0.00 0.75 1.11 4.39 0.02 0.81 0.60 113.55 121.23 2dkz h SER 26 Ca -0.21 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 2dkz h SER 26 Cb 1.65 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 2dkz h SER 26 CO 0.04 0.35 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.43 2dkz h LEU 27 N 0.81 0.00 -1.94 5.07 3.38 -1.69 -3.19 115.31 117.75 2dkz h LEU 27 Ca 0.49 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.64 2dkz h LEU 27 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2dkz h LEU 27 CO -0.31 0.59 0.47 -0.09 0.09 0.00 0.00 178.44 179.18 2dkz h ARG 28 N 0.00 0.05 -0.15 1.13 2.43 -1.00 0.44 114.38 117.28 2dkz h ARG 28 Ca -0.01 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2dkz h ARG 28 Cb 1.30 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 2dkz h ARG 28 CO 0.08 0.04 -0.17 0.35 -1.51 0.00 0.00 179.97 178.75 2dkz h PHE 29 N 0.06 -0.44 0.00 2.20 3.57 -1.53 -2.55 116.94 118.24 2dkz h PHE 29 Ca 0.32 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.66 2dkz h PHE 29 Cb 1.19 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 2dkz h PHE 29 CO -0.00 -0.25 -0.96 -0.84 -2.23 0.00 0.00 178.31 174.03 2dkz h ILE 30 N -0.21 1.27 -2.59 1.41 3.07 -1.52 -3.49 117.51 115.45 2dkz h ILE 30 Ca 0.10 -2.87 0.00 0.00 1.55 0.00 0.00 64.86 63.64 2dkz h ILE 30 Cb 0.36 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.52 2dkz h ILE 30 CO -0.27 0.72 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 2dkz n GLY 31 N 1.34 -1.39 3.80 0.16 0.00 0.05 -5.11 105.19 104.04 2dkz n GLY 31 Ca -0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2dkz n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkz n LEU 32 N -0.23 0.00 -4.77 0.99 4.77 -1.25 -5.04 117.00 111.47 2dkz n LEU 32 Ca 0.00 -2.66 -0.39 0.00 -0.03 0.00 0.00 56.01 52.93 2dkz n LEU 32 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2dkz n LEU 32 CO 0.00 -0.64 0.86 -0.55 -1.33 0.00 0.00 177.39 175.73 2dkz s SER 33 N -4.35 6.77 0.40 -1.43 0.15 -1.26 -4.91 113.70 109.07 2dkz s SER 33 Ca 0.45 2.40 0.16 0.00 0.70 0.00 0.00 55.95 59.65 2dkz s SER 33 Cb -0.04 -2.62 1.02 0.00 -1.71 0.00 0.00 66.02 62.67 2dkz s SER 33 CO 0.28 -0.51 1.85 1.05 1.20 0.00 0.00 173.24 177.12 2dkz h GLU 34 N 3.09 0.45 -0.10 5.44 4.11 -2.01 0.21 114.58 125.78 2dkz h GLU 34 Ca -0.48 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 58.78 2dkz h GLU 34 Cb 1.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2dkz h GLU 34 CO 0.64 0.30 -0.55 -0.44 0.07 0.00 0.00 179.01 179.03 2dkz h ASP 35 N 0.47 0.33 0.11 3.06 5.19 -1.99 -2.84 116.42 120.74 2dkz h ASP 35 Ca 0.47 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2dkz h ASP 35 Cb 1.07 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2dkz h ASP 35 CO -0.19 0.82 -0.05 0.58 -3.12 0.00 0.00 179.24 177.27 2dkz h VAL 36 N 0.23 1.00 0.34 -1.35 2.07 -0.96 -1.22 116.25 116.36 2dkz h VAL 36 Ca 0.00 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2dkz h VAL 36 Cb 1.04 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2dkz h VAL 36 CO 0.09 0.10 -0.26 0.40 0.02 0.00 0.00 177.57 177.91 2dkz h ILE 37 N -0.32 0.45 -0.22 4.57 2.04 -1.46 -1.83 117.51 120.73 2dkz h ILE 37 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2dkz h ILE 37 Cb 0.27 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2dkz h ILE 37 CO 0.02 0.00 0.20 -1.28 0.00 0.00 0.00 178.15 177.09 2dkz h SER 38 N -0.61 0.00 0.23 1.72 0.87 -1.52 0.88 113.55 115.13 2dkz h SER 38 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2dkz h SER 38 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2dkz h SER 38 CO -0.01 0.00 -0.10 -0.26 -0.53 0.00 0.00 176.83 175.93 2dkz h PHE 39 N 0.00 0.00 0.10 2.24 0.04 -0.33 0.21 116.94 119.20 2dkz h PHE 39 Ca 0.11 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.56 2dkz h PHE 39 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 2dkz h PHE 39 CO 0.00 0.10 -1.65 0.74 -0.60 0.00 0.00 178.31 176.89 2dkz h PHE 40 N 0.00 0.40 0.00 -0.55 -1.00 -0.75 -3.17 116.94 111.87 2dkz h PHE 40 Ca -0.00 -0.29 -0.06 0.00 2.81 0.00 0.00 57.97 60.43 2dkz h PHE 40 Cb 0.24 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2dkz h PHE 40 CO 0.00 1.65 -0.29 0.28 -1.61 0.00 0.00 178.31 178.34 2dkz h VAL 41 N -0.25 1.14 0.00 -0.55 2.07 -1.26 0.20 116.25 117.60 2dkz h VAL 41 Ca -0.37 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 2dkz h VAL 41 Cb 1.82 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 2dkz h VAL 41 CO 0.03 0.28 -0.50 0.00 0.02 0.00 0.00 177.57 177.40 2dkz h THR 42 N 0.00 0.71 -0.55 2.57 1.03 -1.10 -3.21 112.91 112.36 2dkz h THR 42 Ca -0.00 -2.02 -0.13 0.00 -0.01 0.00 0.00 66.41 64.25 2dkz h THR 42 Cb 0.53 2.33 -0.08 0.00 -1.07 0.00 0.00 68.15 69.86 2dkz h THR 42 CO 0.04 0.41 0.16 -0.62 -0.01 0.00 0.00 175.52 175.50 2dkz n GLU 43 N -3.18 3.39 -2.29 0.00 -0.58 -0.91 -4.88 120.64 112.20 2dkz n GLU 43 Ca 0.02 -2.43 -0.14 0.00 -0.42 0.00 0.00 57.16 54.19 2dkz n GLU 43 Cb 0.71 -2.04 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.08 -2.02 -2.60 3.49 4.81 -1.15 -4.89 118.16 115.87 2dkz n LYS 44 Ca 0.30 0.68 -0.43 0.00 -0.87 0.00 0.00 58.31 57.99 2dkz n LYS 44 Cb 1.13 -5.24 -0.02 0.00 0.02 0.00 0.00 35.03 30.91 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 -2.61 4.59 0.03 3.15 -1.09 0.64 -5.01 121.20 120.89 2dkz s ILE 45 Ca 0.00 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 2dkz s ILE 45 Cb 0.00 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2dkz s ILE 45 CO 0.00 -0.08 0.00 -0.90 -1.23 0.00 0.00 174.94 172.73 2dkz n ASP 46 N 5.74 2.00 0.47 3.58 5.75 -1.26 -4.51 116.55 128.31 2dkz n ASP 46 Ca 0.11 -1.12 -0.20 0.00 -0.01 0.00 0.00 54.79 53.57 2dkz n ASP 46 Cb 0.47 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.06 -1.22 1.17 6.12 0.00 -1.17 0.14 103.07 108.17 2dkz h GLY 47 Ca -0.02 0.45 0.10 0.00 0.00 0.00 0.00 47.33 47.86 2dkz h GLY 47 CO 0.04 -0.44 0.31 -0.57 0.00 0.00 0.00 176.54 175.88 2dkz h ASN 48 N -1.18 0.00 0.05 0.19 -1.24 -1.73 -1.09 115.58 110.59 2dkz h ASN 48 Ca -0.12 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.73 2dkz h ASN 48 Cb 0.90 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.96 2dkz h ASN 48 CO 0.20 0.00 -0.65 0.25 -1.29 0.00 0.00 177.43 175.94 2dkz h LEU 49 N 0.00 0.48 -0.20 0.34 7.12 -1.78 -3.06 115.31 118.20 2dkz h LEU 49 Ca 0.17 -0.84 0.02 0.00 0.13 0.00 0.00 57.88 57.36 2dkz h LEU 49 Cb 0.79 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 2dkz h LEU 49 CO -0.00 1.26 0.06 0.25 -0.13 0.00 0.00 178.44 179.88 2dkz h LEU 50 N -0.25 0.06 -2.28 2.25 5.85 0.49 0.25 115.31 121.68 2dkz h LEU 50 Ca -0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dkz h LEU 50 Cb 1.41 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 2dkz h LEU 50 CO 0.12 0.06 -0.04 -0.37 -0.34 0.00 0.00 178.44 177.88 2dkz h VAL 51 N 0.15 0.57 0.00 1.05 -1.51 -1.46 -1.75 116.25 113.32 2dkz h VAL 51 Ca 0.09 -0.16 -0.26 0.00 -1.23 0.00 0.00 66.70 65.13 2dkz h VAL 51 Cb 0.07 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.29 2dkz h VAL 51 CO -0.10 0.04 -1.42 1.56 -1.23 0.00 0.00 177.57 176.41 2dkz h GLN 52 N 0.00 0.01 -6.77 5.19 4.20 -1.13 -3.47 115.11 113.14 2dkz h GLN 52 Ca -0.00 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.12 2dkz h GLN 52 Cb 0.10 0.01 0.13 0.00 0.30 0.00 0.00 27.48 28.02 2dkz h GLN 52 CO 0.00 0.72 0.34 1.28 -0.67 0.00 0.00 178.83 180.50 2dkz n LEU 53 N -3.18 3.55 0.00 1.46 4.77 0.77 -5.01 117.00 119.36 2dkz n LEU 53 Ca -0.10 1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 56.81 2dkz n LEU 53 Cb 1.01 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 2dkz n LEU 53 CO 0.46 -1.08 -0.02 0.35 -1.33 0.00 0.00 177.39 175.76 2dkz n THR 54 N -0.52 0.00 -0.00 -5.08 -2.24 -1.26 -5.00 114.28 100.18 2dkz n THR 54 Ca 0.09 -0.86 -0.14 0.00 -2.27 0.00 0.00 64.05 60.87 2dkz n THR 54 Cb 0.40 -0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 2dkz n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2dkz h GLU 55 N 0.00 0.12 -0.05 -0.78 4.81 -1.95 -3.16 114.58 113.56 2dkz h GLU 55 Ca -0.14 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 2dkz h GLU 55 Cb 0.48 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2dkz h GLU 55 CO 0.23 0.82 -0.47 0.93 -0.73 0.00 0.00 179.01 179.79 2dkz h GLU 56 N 0.03 0.13 0.08 1.92 4.39 -1.97 -3.03 114.58 116.13 2dkz h GLU 56 Ca -0.32 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.06 2dkz h GLU 56 Cb 2.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.67 2dkz h GLU 56 CO 0.09 0.57 -1.12 0.82 -1.16 0.00 0.00 179.01 178.21 2dkz h ILE 57 N 0.10 1.50 0.00 3.13 2.04 -1.98 -0.95 117.51 121.35 2dkz h ILE 57 Ca 0.00 -2.93 -0.01 0.00 1.00 0.00 0.00 64.86 62.93 2dkz h ILE 57 Cb 0.87 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 2dkz h ILE 57 CO 0.07 0.86 -0.06 -0.07 0.00 0.00 0.00 178.15 178.94 2dkz h LEU 58 N 0.10 0.00 0.00 1.44 3.38 -1.49 0.24 115.31 118.98 2dkz h LEU 58 Ca -0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 2dkz h LEU 58 Cb 1.83 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2dkz h LEU 58 CO 0.18 0.06 -2.24 -0.24 0.09 0.00 0.00 178.44 176.29 2dkz n SER 59 N -4.06 0.05 -0.02 -0.43 2.88 -1.17 -0.30 113.62 110.57 2dkz n SER 59 Ca -0.03 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.43 2dkz n SER 59 Cb 0.14 1.35 -0.07 0.00 -0.75 0.00 0.00 64.21 64.88 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 -0.08 0.00 -1.46 4.39 -0.71 -3.22 114.58 113.50 2dkz h GLU 60 Ca -0.35 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2dkz h GLU 60 Cb 1.80 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2dkz h GLU 60 CO 0.02 0.38 0.00 -0.25 -1.16 0.00 0.00 179.01 178.00 2dkz n ASP 61 N -4.78 0.00 -0.23 1.42 9.92 0.82 -4.41 116.55 119.29 2dkz n ASP 61 Ca -0.06 0.22 0.20 0.00 -0.53 0.00 0.00 54.79 54.62 2dkz n ASP 61 Cb 0.25 -0.43 0.54 0.00 -0.64 0.00 0.00 41.12 40.83 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 0.47 -5.60 1.24 -1.00 -1.58 -3.45 116.94 107.02 2dkz h PHE 62 Ca 0.00 0.01 -0.42 0.00 2.81 0.00 0.00 57.97 60.37 2dkz h PHE 62 Cb 0.00 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 2dkz h PHE 62 CO 0.00 0.13 -0.65 1.63 -1.61 0.00 0.00 178.31 177.81 2dkz n LYS 63 N -4.48 -4.58 -1.51 1.51 5.02 0.59 -4.93 118.16 109.77 2dkz n LYS 63 Ca 0.19 0.61 -0.29 0.00 -2.02 0.00 0.00 58.31 56.80 2dkz n LYS 63 Cb 0.71 -5.43 0.16 0.00 -0.02 0.00 0.00 35.03 30.45 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkz s LEU 64 N -6.86 1.88 0.69 -0.35 1.43 -0.63 -4.95 118.68 109.89 2dkz s LEU 64 Ca 0.49 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 2dkz s LEU 64 Cb -0.25 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.00 2dkz s LEU 64 CO 0.61 -2.86 1.09 -0.55 0.23 0.00 0.00 176.35 174.87 2dkz s SER 65 N -4.12 5.02 0.34 2.29 0.15 -1.26 -4.75 113.70 111.38 2dkz s SER 65 Ca 0.67 1.90 0.07 0.00 0.70 0.00 0.00 55.95 59.28 2dkz s SER 65 Cb -0.12 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.40 2dkz s SER 65 CO 0.54 -1.69 1.87 0.50 1.20 0.00 0.00 173.24 175.66 2dkz h LYS 66 N -0.33 0.75 -0.41 5.44 3.64 -1.99 0.57 116.57 124.25 2dkz h LYS 66 Ca -0.46 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 2dkz h LYS 66 Cb 1.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2dkz h LYS 66 CO 0.54 0.50 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.12 2dkz h LEU 67 N 0.77 0.72 0.33 5.20 -0.00 -1.99 -2.31 115.31 118.04 2dkz h LEU 67 Ca 0.45 -0.32 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2dkz h LEU 67 Cb 0.62 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2dkz h LEU 67 CO -0.21 0.87 -0.16 1.56 -0.00 0.00 0.00 178.44 180.50 2dkz h GLN 68 N 0.56 -0.43 -0.67 1.13 4.20 -1.59 0.15 115.11 118.46 2dkz h GLN 68 Ca 0.11 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.05 2dkz h GLN 68 Cb 0.52 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2dkz h GLN 68 CO 0.03 -0.13 0.51 0.28 -0.67 0.00 0.00 178.83 178.85 2dkz h VAL 69 N -0.75 0.59 0.00 -0.54 2.07 -0.98 0.15 116.25 116.80 2dkz h VAL 69 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2dkz h VAL 69 Cb 0.50 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2dkz h VAL 69 CO 0.08 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 177.89 2dkz h LYS 70 N 0.00 0.00 -0.20 1.57 3.64 -1.21 -3.07 116.57 117.30 2dkz h LYS 70 Ca 0.32 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2dkz h LYS 70 Cb 1.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 2dkz h LYS 70 CO -0.00 0.71 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.58 2dkz h LYS 71 N -1.00 -0.06 -0.22 1.90 3.64 -0.04 0.17 116.57 120.96 2dkz h LYS 71 Ca -0.07 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2dkz h LYS 71 Cb 0.81 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 2dkz h LYS 71 CO -0.04 -0.04 -0.00 0.82 -2.27 0.00 0.00 179.45 177.92 2dkz h ILE 72 N -0.06 0.84 -0.23 2.00 2.04 -0.89 -2.29 117.51 118.92 2dkz h ILE 72 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2dkz h ILE 72 Cb 0.22 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2dkz h ILE 72 CO -0.24 0.01 0.15 0.24 0.00 0.00 0.00 178.15 178.31 2dkz h MET 73 N 0.07 0.29 -0.68 2.37 2.86 -1.35 -1.78 114.93 116.72 2dkz h MET 73 Ca 0.11 -0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.92 2dkz h MET 73 Cb 0.14 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2dkz h MET 73 CO -0.18 0.19 0.51 1.96 1.06 0.00 0.00 176.91 180.45 2dkz h GLN 74 N 0.30 0.00 0.00 1.72 1.08 -0.31 0.21 115.11 118.11 2dkz h GLN 74 Ca 0.08 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.06 2dkz h GLN 74 Cb -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2dkz h GLN 74 CO -0.02 0.00 -0.93 0.35 -0.95 0.00 0.00 178.83 177.28 2dkz h PHE 75 N 0.00 0.54 0.58 2.96 3.57 -0.77 -1.72 116.94 122.10 2dkz h PHE 75 Ca 0.32 -0.29 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2dkz h PHE 75 Cb 1.33 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 40.02 2dkz h PHE 75 CO 0.00 1.11 -0.28 0.82 -2.23 0.00 0.00 178.31 177.73 2dkz h ILE 76 N 0.20 0.33 -0.18 1.41 2.04 -0.26 -3.26 117.51 117.79 2dkz h ILE 76 Ca -0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2dkz h ILE 76 Cb 1.56 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2dkz h ILE 76 CO 0.16 0.03 0.05 0.78 0.00 0.00 0.00 178.15 179.17 2dkz h ASN 77 N -0.99 0.27 -2.89 1.72 2.35 -1.55 -3.50 115.58 111.00 2dkz h ASN 77 Ca -0.08 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2dkz h ASN 77 Cb 0.66 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2dkz h ASN 77 CO 0.13 0.41 0.00 0.61 -1.65 0.00 0.00 177.43 176.93 2dkz n GLY 78 N -0.56 -2.77 3.61 2.83 0.00 -0.65 -5.00 105.19 102.66 2dkz n GLY 78 Ca -0.04 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2dkz n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkz n SER 79 N 0.00 0.34 -0.65 1.61 7.64 -1.26 -4.56 113.62 116.76 2dkz n SER 79 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2dkz n SER 79 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 2dkz n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 80 N 1.05 0.32 0.19 0.23 0.00 -1.26 -4.98 105.19 100.75 2dkz n GLY 80 Ca 0.13 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.61 0.00 1.61 0.13 -1.97 -3.41 132.00 128.96 2dkz h PRO 81 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dkz h PRO 81 Cb 0.40 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2dkz h PRO 81 CO 0.00 0.91 0.00 -1.13 -0.23 0.00 0.00 178.00 177.55 2dkz n SER 82 N -4.35 0.00 -4.68 1.44 3.41 -1.26 -5.02 113.62 103.16 2dkz n SER 82 Ca -0.04 0.08 -0.31 0.00 -0.26 0.00 0.00 58.87 58.33 2dkz n SER 82 Cb 0.44 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2dkz n SER 82 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dkz s SER 83 N -3.69 5.03 0.00 4.04 0.01 -1.26 -5.29 113.70 112.54 2dkz s SER 83 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dkz s SER 83 Cb 0.00 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2dkz s SER 83 CO 0.00 0.22 0.41 0.61 0.41 0.00 0.00 173.24 174.89