#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 6.49 0.35 1.61 0.01 -1.26 -4.67 113.70 116.23 2dkz s SER 2 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2dkz s SER 2 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2dkz s SER 2 CO 0.00 -0.85 0.00 -1.54 0.41 0.00 0.00 173.24 171.26 2dkz n SER 3 N 6.63 -2.65 0.00 2.44 3.41 -1.26 -5.16 113.62 117.04 2dkz n SER 3 Ca 0.03 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2dkz n SER 3 Cb 0.48 2.57 0.00 0.00 -0.26 0.00 0.00 64.21 67.01 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 4 N -0.74 0.74 3.43 5.00 0.00 -1.26 -5.00 105.19 107.36 2dkz n GLY 4 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2dkz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkz s SER 5 N -4.00 -0.52 -0.47 1.61 1.04 -1.26 -5.13 113.70 104.97 2dkz s SER 5 Ca 0.00 0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 2dkz s SER 5 Cb 0.00 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2dkz s SER 5 CO 0.00 -0.68 0.34 -0.55 0.98 0.00 0.00 173.24 173.33 2dkz s SER 6 N -1.69 5.75 0.06 7.02 0.15 -1.26 -5.04 113.70 118.69 2dkz s SER 6 Ca -0.08 -1.80 0.01 0.00 0.70 0.00 0.00 55.95 54.79 2dkz s SER 6 Cb -0.01 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2dkz s SER 6 CO 0.02 -0.68 0.05 0.61 1.20 0.00 0.00 173.24 174.45 2dkz n GLY 7 N 4.95 3.84 3.77 9.45 0.00 -1.26 -5.15 105.19 120.80 2dkz n GLY 7 Ca -0.09 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.25 3.18 0.33 1.61 0.04 -1.26 -5.02 135.00 131.63 2dkz s PRO 8 Ca 0.07 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 2dkz s PRO 8 Cb 0.00 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2dkz s PRO 8 CO 0.05 -0.98 0.87 -0.46 0.04 0.00 0.00 177.00 176.52 2dkz s TRP 9 N -1.96 3.52 0.06 0.56 -0.00 -1.26 -5.08 118.94 114.79 2dkz s TRP 9 Ca 0.71 1.57 -0.08 0.00 -0.00 0.00 0.00 56.10 58.29 2dkz s TRP 9 Cb -0.23 -2.78 -0.00 0.00 -0.00 0.00 0.00 33.47 30.46 2dkz s TRP 9 CO 0.32 0.12 0.18 1.14 -0.00 0.00 0.00 176.95 178.71 2dkz s GLN 10 N -2.51 0.76 0.57 5.86 -2.07 -1.26 -5.05 119.66 115.96 2dkz s GLN 10 Ca 0.53 -0.82 -0.19 0.00 -1.82 0.00 0.00 55.36 53.06 2dkz s GLN 10 Cb -0.14 0.31 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 2dkz s GLN 10 CO 0.19 -0.23 1.13 -1.25 -1.32 0.00 0.00 175.29 173.81 2dkz s PRO 11 N -3.25 3.25 0.57 9.60 0.04 -1.26 -5.05 135.00 138.89 2dkz s PRO 11 Ca 0.00 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 2dkz s PRO 11 Cb 0.02 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.71 2dkz s PRO 11 CO -0.08 -0.93 0.50 -0.35 0.04 0.00 0.00 177.00 176.19 2dkz n PRO 12 N -1.52 -2.00 0.00 0.56 -0.04 -1.26 -5.00 135.00 125.74 2dkz n PRO 12 Ca 0.11 -0.80 -0.17 0.00 -0.04 0.00 0.00 63.50 62.60 2dkz n PRO 12 Cb 0.51 -0.75 -0.14 0.00 -0.04 0.00 0.00 33.50 33.08 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 -2.34 0.54 0.10 0.55 0.00 -1.98 -3.38 119.26 112.74 2dkz h ALA 13 Ca -0.19 -1.40 -0.21 0.00 0.00 0.00 0.00 54.91 53.12 2dkz h ALA 13 Cb 0.58 0.60 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2dkz h ALA 13 CO 0.12 1.39 -0.87 -0.44 0.00 0.00 0.00 179.25 179.46 2dkz h ASP 14 N 0.05 0.59 -3.05 0.00 3.32 -1.94 -3.48 116.42 111.91 2dkz h ASP 14 Ca -0.36 -0.87 -0.37 0.00 0.02 0.00 0.00 57.03 55.45 2dkz h ASP 14 Cb 2.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 41.36 2dkz h ASP 14 CO 0.09 1.40 -0.46 -0.11 -1.72 0.00 0.00 179.24 178.44 2dkz n LEU 15 N -4.07 -1.68 -1.03 1.55 0.00 -1.26 -4.85 117.00 105.67 2dkz n LEU 15 Ca -0.13 0.08 -0.01 0.00 0.00 0.00 0.00 56.01 55.96 2dkz n LEU 15 Cb 0.82 -2.70 0.21 0.00 0.00 0.00 0.00 43.42 41.75 2dkz n LEU 15 CO 0.51 -0.26 0.67 -1.20 0.00 0.00 0.00 177.39 177.10 2dkz n SER 16 N -1.87 2.65 -0.80 1.96 7.64 -1.26 -3.80 113.62 118.13 2dkz n SER 16 Ca -0.22 -3.62 -0.01 0.00 1.01 0.00 0.00 58.87 56.03 2dkz n SER 16 Cb 0.66 -0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.75 3.80 0.23 0.00 -1.26 -4.60 105.19 103.07 2dkz n GLY 17 Ca 0.30 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 4.03 0.77 0.99 1.43 -1.26 -5.01 118.68 119.63 2dkz s LEU 18 Ca 0.07 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 2dkz s LEU 18 Cb 0.08 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2dkz s LEU 18 CO -0.03 0.36 1.11 -0.94 0.23 0.00 0.00 176.35 177.08 2dkz s SER 19 N -1.17 4.52 0.52 2.29 1.04 -1.26 -0.60 113.70 119.04 2dkz s SER 19 Ca 0.17 0.56 0.20 0.00 0.48 0.00 0.00 55.95 57.35 2dkz s SER 19 Cb -0.12 -1.08 1.30 0.00 0.10 0.00 0.00 66.02 66.22 2dkz s SER 19 CO 0.06 -1.84 2.07 0.40 0.98 0.00 0.00 173.24 174.92 2dkz h ILE 20 N -0.88 0.88 -0.04 -1.02 2.04 -1.93 -0.26 117.51 116.29 2dkz h ILE 20 Ca -0.45 -0.01 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 2dkz h ILE 20 Cb 1.31 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2dkz h ILE 20 CO 0.60 0.01 -0.75 -0.33 0.00 0.00 0.00 178.15 177.68 2dkz h GLU 21 N 0.04 0.26 0.00 2.37 5.08 -1.92 -3.11 114.58 117.30 2dkz h GLU 21 Ca 0.13 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2dkz h GLU 21 Cb 0.47 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2dkz h GLU 21 CO -0.01 0.89 -0.55 0.93 -1.00 0.00 0.00 179.01 179.28 2dkz h GLU 22 N 0.17 0.00 -0.65 2.33 4.39 -1.44 -3.17 114.58 116.21 2dkz h GLU 22 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2dkz h GLU 22 Cb 1.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 2dkz h GLU 22 CO 0.12 0.55 0.22 0.28 -1.16 0.00 0.00 179.01 179.02 2dkz h VAL 23 N 0.00 1.24 -0.29 3.13 2.07 -1.23 -0.93 116.25 120.24 2dkz h VAL 23 Ca -0.01 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2dkz h VAL 23 Cb 1.17 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2dkz h VAL 23 CO 0.07 0.31 0.24 0.28 0.02 0.00 0.00 177.57 178.50 2dkz h SER 24 N 0.96 0.00 0.36 0.57 0.02 -1.58 -0.66 113.55 113.21 2dkz h SER 24 Ca 0.22 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.95 2dkz h SER 24 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2dkz h SER 24 CO -0.01 0.00 -1.83 0.29 -1.14 0.00 0.00 176.83 174.14 2dkz n LYS 25 N -4.13 0.65 -0.10 3.45 5.02 -0.82 -4.05 118.16 118.18 2dkz n LYS 25 Ca 0.04 0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 2dkz n LYS 25 Cb 0.40 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.24 0.51 4.39 0.02 0.24 -0.59 113.55 117.88 2dkz h SER 26 Ca -0.27 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 2dkz h SER 26 Cb 1.73 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.44 2dkz h SER 26 CO 0.04 -0.08 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.25 2dkz h LEU 27 N 0.04 0.00 -2.01 5.07 3.38 -1.71 -2.76 115.31 117.31 2dkz h LEU 27 Ca 0.17 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2dkz h LEU 27 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2dkz h LEU 27 CO -0.32 0.32 0.40 -0.09 0.09 0.00 0.00 178.44 178.84 2dkz h ARG 28 N 0.00 0.00 -0.30 1.13 2.43 -1.24 -0.20 114.38 116.19 2dkz h ARG 28 Ca -0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2dkz h ARG 28 Cb 0.67 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 2dkz h ARG 28 CO 0.04 0.00 -0.14 0.35 -1.51 0.00 0.00 179.97 178.71 2dkz h PHE 29 N 0.00 -0.34 0.00 2.20 3.57 -1.42 -2.41 116.94 118.54 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 1.04 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2dkz h PHE 29 CO 0.00 -0.21 -1.10 -0.84 -2.23 0.00 0.00 178.31 173.93 2dkz h ILE 30 N -0.09 0.86 -2.56 1.41 3.07 -1.53 -3.50 117.51 115.17 2dkz h ILE 30 Ca 0.16 -2.39 0.00 0.00 1.55 0.00 0.00 64.86 64.18 2dkz h ILE 30 Cb 0.33 2.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2dkz h ILE 30 CO -0.36 0.49 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 2dkz n GLY 31 N 1.36 -1.65 3.23 0.16 0.00 -0.17 -5.11 105.19 103.00 2dkz n GLY 31 Ca -0.05 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.17 0.00 -4.76 0.99 4.77 -1.25 -5.04 117.00 111.53 2dkz n LEU 32 Ca 0.00 -2.34 -0.40 0.00 -0.03 0.00 0.00 56.01 53.23 2dkz n LEU 32 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2dkz n LEU 32 CO 0.00 -0.57 0.88 -0.44 -1.33 0.00 0.00 177.39 175.93 2dkz s SER 33 N -3.80 7.03 0.49 -1.43 0.01 -1.26 -4.90 113.70 109.84 2dkz s SER 33 Ca 0.33 2.47 0.24 0.00 1.31 0.00 0.00 55.95 60.29 2dkz s SER 33 Cb -0.03 -2.64 1.30 0.00 0.21 0.00 0.00 66.02 64.87 2dkz s SER 33 CO 0.21 -0.34 1.92 -0.33 0.41 0.00 0.00 173.24 175.11 2dkz h GLU 34 N 3.67 0.15 -0.38 12.44 4.39 -2.00 0.49 114.58 133.34 2dkz h GLU 34 Ca -0.48 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 2dkz h GLU 34 Cb 1.22 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2dkz h GLU 34 CO 0.67 0.10 -0.24 0.22 -1.16 0.00 0.00 179.01 178.59 2dkz h ASP 35 N 0.15 0.87 0.09 1.42 1.82 -1.99 -2.78 116.42 116.01 2dkz h ASP 35 Ca 0.37 -0.43 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2dkz h ASP 35 Cb 1.24 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 2dkz h ASP 35 CO -0.06 1.11 -0.06 0.58 -1.61 0.00 0.00 179.24 179.20 2dkz h VAL 36 N 0.64 0.87 0.04 2.25 2.07 -1.28 0.50 116.25 121.35 2dkz h VAL 36 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2dkz h VAL 36 Cb 0.81 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2dkz h VAL 36 CO 0.07 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 177.77 2dkz h ILE 37 N -0.15 0.37 0.00 4.57 2.04 -1.48 -0.85 117.51 122.01 2dkz h ILE 37 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2dkz h ILE 37 Cb 0.13 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2dkz h ILE 37 CO 0.01 0.00 -0.06 0.28 0.00 0.00 0.00 178.15 178.38 2dkz h SER 38 N -0.46 0.00 0.29 1.72 0.02 -1.40 -1.09 113.55 112.64 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 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2dkz h SER 38 CO -0.22 0.06 -0.14 -0.26 -1.14 0.00 0.00 176.83 175.13 2dkz h PHE 39 N 0.00 0.00 0.09 3.45 0.04 0.58 0.06 116.94 121.15 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 0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2dkz h PHE 39 CO 0.00 0.14 -1.66 0.74 -0.60 0.00 0.00 178.31 176.93 2dkz h PHE 40 N 0.00 0.34 0.00 -0.55 -1.00 -0.92 -3.21 116.94 111.60 2dkz h PHE 40 Ca -0.00 -0.25 -0.04 0.00 2.81 0.00 0.00 57.97 60.49 2dkz h PHE 40 Cb 0.33 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2dkz h PHE 40 CO 0.00 1.65 -0.18 0.28 -1.61 0.00 0.00 178.31 178.45 2dkz h VAL 41 N -0.32 0.74 0.00 -0.55 2.07 -1.31 0.23 116.25 117.11 2dkz h VAL 41 Ca -0.38 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 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 -0.00 0.18 -0.72 0.00 0.02 0.00 0.00 177.57 177.04 2dkz h THR 42 N 0.00 0.78 -0.58 2.57 1.03 -1.13 -3.25 112.91 112.33 2dkz h THR 42 Ca -0.00 -2.16 -0.15 0.00 -0.01 0.00 0.00 66.41 64.08 2dkz h THR 42 Cb 0.45 2.33 -0.09 0.00 -1.07 0.00 0.00 68.15 69.76 2dkz h THR 42 CO 0.02 0.44 0.19 -0.62 -0.01 0.00 0.00 175.52 175.55 2dkz n GLU 43 N -3.14 3.31 -2.01 0.00 -0.58 -0.87 -4.87 120.64 112.48 2dkz n GLU 43 Ca -0.01 -2.45 -0.17 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 0.01 -1.70 -2.45 3.49 4.81 -1.16 -4.90 118.16 116.27 2dkz n LYS 44 Ca 0.31 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 58.21 2dkz n LYS 44 Cb 1.16 -5.37 -0.02 0.00 0.02 0.00 0.00 35.03 30.82 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 4.33 0.34 3.15 -1.09 0.77 -4.99 121.20 121.07 2dkz s ILE 45 Ca 0.00 1.60 0.01 0.00 -2.23 0.00 0.00 60.65 60.03 2dkz s ILE 45 Cb 0.00 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2dkz s ILE 45 CO 0.00 -0.14 0.09 -0.90 -1.23 0.00 0.00 174.94 172.76 2dkz n ASP 46 N 6.53 2.66 -0.14 3.58 5.75 -1.26 -4.46 116.55 129.21 2dkz n ASP 46 Ca 0.14 -2.37 -0.06 0.00 -0.01 0.00 0.00 54.79 52.48 2dkz n ASP 46 Cb 0.45 0.15 0.03 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.67 0.62 2.00 6.12 0.00 -1.03 0.61 103.07 112.06 2dkz h GLY 47 Ca -0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 2dkz h GLY 47 CO 0.42 0.14 -0.30 -0.57 0.00 0.00 0.00 176.54 176.22 2dkz h ASN 48 N 0.49 0.00 -0.06 0.19 -1.24 -1.71 -2.58 115.58 110.67 2dkz h ASN 48 Ca 0.19 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.97 2dkz h ASN 48 Cb 0.06 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.13 2dkz h ASN 48 CO -0.11 0.30 -0.83 0.25 -1.29 0.00 0.00 177.43 175.75 2dkz h LEU 49 N 0.00 0.84 0.40 0.34 7.12 -1.68 -3.09 115.31 119.25 2dkz h LEU 49 Ca -0.00 -0.69 -0.02 0.00 0.13 0.00 0.00 57.88 57.29 2dkz h LEU 49 Cb 0.56 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2dkz h LEU 49 CO 0.04 1.41 -0.19 0.25 -0.13 0.00 0.00 178.44 179.82 2dkz h LEU 50 N 0.34 -0.46 -2.04 2.25 5.85 -0.69 -0.95 115.31 119.60 2dkz h LEU 50 Ca -0.09 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.75 2dkz h LEU 50 Cb 1.48 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2dkz h LEU 50 CO 0.17 -0.30 0.37 -0.37 -0.34 0.00 0.00 178.44 177.96 2dkz h VAL 51 N -0.57 0.54 0.08 1.05 -1.51 -1.57 0.12 116.25 114.37 2dkz h VAL 51 Ca -0.06 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.17 2dkz h VAL 51 Cb 0.43 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2dkz h VAL 51 CO 0.09 0.00 -1.15 1.56 -1.23 0.00 0.00 177.57 176.84 2dkz h GLN 52 N 0.00 0.16 -7.04 5.19 4.20 -1.32 -3.46 115.11 112.85 2dkz h GLN 52 Ca 0.19 -0.28 -0.55 0.00 0.06 0.00 0.00 58.65 58.08 2dkz h GLN 52 Cb 0.93 0.10 0.14 0.00 0.30 0.00 0.00 27.48 28.95 2dkz h GLN 52 CO -0.00 1.13 0.63 1.28 -0.67 0.00 0.00 178.83 181.20 2dkz n LEU 53 N -3.46 5.56 -4.41 1.46 4.77 0.40 -5.03 117.00 116.29 2dkz n LEU 53 Ca -0.05 1.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.72 2dkz n LEU 53 Cb 0.99 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 2dkz n LEU 53 CO 0.51 -0.49 -0.33 0.42 -1.33 0.00 0.00 177.39 176.18 2dkz s THR 54 N -1.27 1.38 0.54 -5.08 -4.23 -1.26 -5.00 115.64 100.72 2dkz s THR 54 Ca 0.70 -2.06 0.21 0.00 -1.18 0.00 0.00 61.69 59.36 2dkz s THR 54 Cb -0.42 -2.53 0.32 0.00 1.34 0.00 0.00 72.50 71.21 2dkz s THR 54 CO 0.50 -0.22 2.11 -0.08 -0.54 0.00 0.00 174.62 176.39 2dkz h GLU 55 N 2.27 0.00 -0.10 3.99 4.81 -1.96 0.25 114.58 123.85 2dkz h GLU 55 Ca -0.40 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 2dkz h GLU 55 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2dkz h GLU 55 CO 0.68 0.00 -0.26 0.93 -0.73 0.00 0.00 179.01 179.63 2dkz h GLU 56 N 0.00 0.35 0.00 1.92 4.39 -1.98 -2.60 114.58 116.66 2dkz h GLU 56 Ca 0.08 -0.24 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 2dkz h GLU 56 Cb 0.35 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2dkz h GLU 56 CO -0.00 0.86 -0.65 0.82 -1.16 0.00 0.00 179.01 178.87 2dkz h ILE 57 N -0.11 1.46 0.00 3.13 2.04 -1.77 0.23 117.51 122.50 2dkz h ILE 57 Ca -0.00 -2.25 -0.07 0.00 1.00 0.00 0.00 64.86 63.54 2dkz h ILE 57 Cb 0.87 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2dkz h ILE 57 CO 0.06 0.64 -0.35 -0.07 0.00 0.00 0.00 178.15 178.43 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.55 -0.28 115.31 119.30 2dkz h LEU 58 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 2dkz h LEU 58 Cb 1.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2dkz h LEU 58 CO 0.08 0.35 -2.27 -0.24 0.09 0.00 0.00 178.44 176.45 2dkz n SER 59 N -3.61 0.05 -0.02 -0.43 2.88 -0.98 -0.19 113.62 111.32 2dkz n SER 59 Ca -0.01 0.02 -0.05 0.00 -1.33 0.00 0.00 58.87 57.51 2dkz n SER 59 Cb 0.46 1.11 -0.04 0.00 -0.75 0.00 0.00 64.21 64.99 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 -0.07 0.00 -1.46 4.39 -0.50 -3.19 114.58 113.75 2dkz h GLU 60 Ca -0.44 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2dkz h GLU 60 Cb 2.01 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2dkz h GLU 60 CO 0.03 0.22 0.00 -0.25 -1.16 0.00 0.00 179.01 177.85 2dkz n ASP 61 N -4.79 0.00 -0.34 1.42 9.92 -0.13 -4.36 116.55 118.27 2dkz n ASP 61 Ca -0.04 0.26 0.10 0.00 -0.53 0.00 0.00 54.79 54.58 2dkz n ASP 61 Cb 0.16 -0.31 0.27 0.00 -0.64 0.00 0.00 41.12 40.60 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 1.01 -4.90 1.24 -1.00 -1.59 -3.45 116.94 108.25 2dkz h PHE 62 Ca 0.00 0.03 -0.36 0.00 2.81 0.00 0.00 57.97 60.45 2dkz h PHE 62 Cb 0.00 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.23 2dkz h PHE 62 CO 0.00 0.27 -0.53 1.63 -1.61 0.00 0.00 178.31 178.07 2dkz n LYS 63 N -4.76 -3.60 -0.33 1.51 5.02 0.74 -4.94 118.16 111.80 2dkz n LYS 63 Ca 0.21 0.62 -0.29 0.00 -2.02 0.00 0.00 58.31 56.83 2dkz n LYS 63 Cb 0.48 -5.35 0.27 0.00 -0.02 0.00 0.00 35.03 30.41 2dkz n LYS 63 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dkz n LEU 64 N -3.66 0.00 -4.75 -0.35 4.77 -1.06 -4.97 117.00 106.98 2dkz n LEU 64 Ca -0.07 -0.87 -0.32 0.00 -0.03 0.00 0.00 56.01 54.72 2dkz n LEU 64 Cb 0.58 -0.94 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2dkz n LEU 64 CO 0.45 -2.67 0.73 -0.55 -1.33 0.00 0.00 177.39 174.01 2dkz s SER 65 N -3.23 4.55 0.49 -1.43 0.15 -1.26 -4.74 113.70 108.22 2dkz s SER 65 Ca 0.64 2.01 0.16 0.00 0.70 0.00 0.00 55.95 59.46 2dkz s SER 65 Cb -0.10 -2.55 1.18 0.00 -1.71 0.00 0.00 66.02 62.84 2dkz s SER 65 CO 0.53 -2.01 2.06 0.07 1.20 0.00 0.00 173.24 175.08 2dkz h LYS 66 N -0.61 0.18 0.19 5.44 2.10 -1.99 -0.35 116.57 121.52 2dkz h LYS 66 Ca -0.45 -0.01 -0.31 0.00 -2.00 0.00 0.00 60.65 57.88 2dkz h LYS 66 Cb 1.25 -0.04 0.03 0.00 -0.90 0.00 0.00 32.23 32.57 2dkz h LYS 66 CO 0.51 0.12 -1.36 -0.07 -2.00 0.00 0.00 179.45 176.65 2dkz h LEU 67 N 0.18 0.72 0.43 7.07 -0.00 -1.99 -3.14 115.31 118.57 2dkz h LEU 67 Ca 0.15 -0.74 -0.02 0.00 -0.00 0.00 0.00 57.88 57.27 2dkz h LEU 67 Cb 0.37 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2dkz h LEU 67 CO -0.02 1.57 -0.20 1.56 -0.00 0.00 0.00 178.44 181.34 2dkz h GLN 68 N 0.15 -0.55 -0.51 1.13 4.20 -1.67 0.18 115.11 118.03 2dkz h GLN 68 Ca -0.20 0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.69 2dkz h GLN 68 Cb 2.06 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 29.94 2dkz h GLN 68 CO 0.25 -0.26 0.39 0.28 -0.67 0.00 0.00 178.83 178.82 2dkz h VAL 69 N -0.80 0.65 0.17 -0.54 2.07 -1.24 0.18 116.25 116.73 2dkz h VAL 69 Ca -0.06 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.20 2dkz h VAL 69 Cb 0.54 0.72 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2dkz h VAL 69 CO 0.10 0.00 -1.19 0.50 0.02 0.00 0.00 177.57 176.99 2dkz h LYS 70 N 0.00 0.36 -0.23 1.57 3.11 -1.45 -2.99 116.57 116.94 2dkz h LYS 70 Ca 0.24 -0.62 -0.02 0.00 -2.81 0.00 0.00 60.65 57.44 2dkz h LYS 70 Cb 1.03 0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 2dkz h LYS 70 CO -0.00 1.30 0.06 -0.22 -2.81 0.00 0.00 179.45 177.78 2dkz h LYS 71 N -0.18 0.37 0.03 1.90 3.64 0.61 -2.35 116.57 120.59 2dkz h LYS 71 Ca -0.22 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2dkz h LYS 71 Cb 1.85 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.61 2dkz h LYS 71 CO 0.17 0.47 -0.03 0.82 -2.27 0.00 0.00 179.45 178.61 2dkz h ILE 72 N 0.20 0.94 -0.82 2.00 2.04 -0.85 -1.98 117.51 119.04 2dkz h ILE 72 Ca 0.07 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.06 2dkz h ILE 72 Cb 0.26 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 2dkz h ILE 72 CO -0.00 0.00 0.42 0.24 0.00 0.00 0.00 178.15 178.81 2dkz h MET 73 N -0.06 0.62 0.00 2.37 2.86 -1.49 0.19 114.93 119.42 2dkz h MET 73 Ca 0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2dkz h MET 73 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2dkz h MET 73 CO -0.01 0.41 -0.23 1.96 1.06 0.00 0.00 176.91 180.11 2dkz h GLN 74 N 0.63 0.00 -0.06 1.72 1.08 -1.05 -2.67 115.11 114.76 2dkz h GLN 74 Ca 0.43 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.47 2dkz h GLN 74 Cb 0.56 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2dkz h GLN 74 CO -0.33 0.23 -0.60 0.35 -0.95 0.00 0.00 178.83 177.53 2dkz h PHE 75 N 0.00 0.72 0.04 2.96 3.57 0.08 -0.77 116.94 123.54 2dkz h PHE 75 Ca -0.00 -0.35 0.01 0.00 3.53 0.00 0.00 57.97 61.16 2dkz h PHE 75 Cb 0.46 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2dkz h PHE 75 CO 0.00 1.15 -0.06 0.82 -2.23 0.00 0.00 178.31 177.99 2dkz h ILE 76 N 0.10 0.86 -0.19 1.41 2.04 -0.98 -3.06 117.51 117.69 2dkz h ILE 76 Ca -0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2dkz h ILE 76 Cb 1.26 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2dkz h ILE 76 CO 0.12 0.00 -0.10 -1.13 0.00 0.00 0.00 178.15 177.04 2dkz h ASN 77 N -0.12 0.41 -5.73 1.72 -0.73 -1.57 -3.47 115.58 106.08 2dkz h ASN 77 Ca 0.01 -0.42 -0.43 0.00 1.87 0.00 0.00 56.30 57.33 2dkz h ASN 77 Cb 0.13 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2dkz h ASN 77 CO -0.04 0.73 -0.67 0.61 -0.37 0.00 0.00 177.43 177.70 2dkz n GLY 78 N 0.00 -0.50 3.20 1.57 0.00 -0.29 -4.95 105.19 104.22 2dkz n GLY 78 Ca -0.05 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2dkz n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkz s SER 79 N -3.04 4.92 0.66 1.61 0.01 -1.26 -5.01 113.70 111.60 2dkz s SER 79 Ca 0.53 -1.20 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 2dkz s SER 79 Cb -0.26 -1.74 0.09 0.00 0.21 0.00 0.00 66.02 64.32 2dkz s SER 79 CO 0.65 -0.26 0.92 -0.83 0.41 0.00 0.00 173.24 174.14 2dkz s GLY 80 N 1.29 1.78 0.06 3.44 0.00 -1.26 -5.03 107.32 107.61 2dkz s GLY 80 Ca -0.04 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 42.94 2dkz s GLY 80 CO -0.01 -1.09 1.38 -0.56 0.00 0.00 0.00 173.10 172.82 2dkz h PRO 81 N -0.33 0.50 0.00 2.90 0.13 -2.05 -3.40 132.00 129.75 2dkz h PRO 81 Ca -0.39 -0.26 -0.14 0.00 -0.87 0.00 0.00 66.00 64.34 2dkz h PRO 81 Cb 1.28 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2dkz h PRO 81 CO 0.45 0.84 -1.50 0.45 -0.23 0.00 0.00 178.00 178.01 2dkz n SER 82 N -4.44 1.75 -4.57 1.44 2.88 -1.26 -5.04 113.62 104.39 2dkz n SER 82 Ca -0.05 0.05 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 2dkz n SER 82 Cb 0.41 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 2dkz n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dkz n SER 83 N -3.14 0.13 0.00 -3.46 7.64 -1.26 -5.24 113.62 108.28 2dkz n SER 83 Ca -0.17 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2dkz n SER 83 Cb 0.64 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64