#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 4.37 -0.37 1.61 1.04 -1.26 -5.07 113.70 114.03 2dkz s SER 2 Ca 0.00 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2dkz s SER 2 Cb 0.00 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2dkz s SER 2 CO 0.00 -1.85 0.23 -0.55 0.98 0.00 0.00 173.24 172.05 2dkz s SER 3 N -4.75 5.84 0.00 7.02 0.15 -1.26 -4.88 113.70 115.83 2dkz s SER 3 Ca 0.66 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2dkz s SER 3 Cb -0.05 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2dkz s SER 3 CO 0.44 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dkz n GLY 4 N 5.05 0.96 3.41 9.45 0.00 -1.26 -4.98 105.19 117.82 2dkz n GLY 4 Ca -0.12 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 2dkz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkz n SER 5 N 0.00 -5.97 -3.34 1.61 2.88 -1.26 -4.94 113.62 102.60 2dkz n SER 5 Ca 0.00 -0.81 -0.32 0.00 -1.33 0.00 0.00 58.87 56.41 2dkz n SER 5 Cb 0.00 -4.58 -0.03 0.00 -0.75 0.00 0.00 64.21 58.85 2dkz n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dkz n SER 6 N -3.04 5.13 0.00 -3.46 7.64 -1.26 -4.75 113.62 113.88 2dkz n SER 6 Ca -0.09 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.20 2dkz n SER 6 Cb 0.61 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 7 N 0.27 -0.91 3.76 0.23 0.00 -1.26 -5.15 105.19 102.14 2dkz n GLY 7 Ca 0.33 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 4.44 -0.13 1.61 0.04 -1.26 -5.04 135.00 134.66 2dkz s PRO 8 Ca 0.00 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2dkz s PRO 8 Cb 0.00 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.48 2dkz s PRO 8 CO 0.00 -0.09 0.72 -0.46 0.04 0.00 0.00 177.00 177.21 2dkz s TRP 9 N -0.83 -0.68 0.09 0.56 -0.00 -1.26 -5.18 118.94 111.64 2dkz s TRP 9 Ca 0.50 1.35 -0.08 0.00 -0.00 0.00 0.00 56.10 57.87 2dkz s TRP 9 Cb -0.37 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.46 2dkz s TRP 9 CO 0.46 -0.51 0.17 -0.65 -0.00 0.00 0.00 176.95 176.42 2dkz s GLN 10 N -0.65 0.85 0.56 5.86 -0.21 -1.26 -5.11 119.66 119.69 2dkz s GLN 10 Ca -0.07 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.11 2dkz s GLN 10 Cb -0.02 0.33 -0.05 0.00 1.00 0.00 0.00 33.01 34.27 2dkz s GLN 10 CO 0.06 -0.26 1.13 -1.25 -2.12 0.00 0.00 175.29 172.84 2dkz s PRO 11 N -3.88 3.26 1.19 2.91 0.04 -1.26 -5.04 135.00 132.21 2dkz s PRO 11 Ca 0.07 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 2dkz s PRO 11 Cb 0.05 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.88 2dkz s PRO 11 CO -0.10 -0.92 1.11 -1.25 0.04 0.00 0.00 177.00 175.88 2dkz s PRO 12 N -3.43 -1.11 -0.16 0.56 0.04 -1.26 -5.01 135.00 124.63 2dkz s PRO 12 Ca 0.72 -0.02 0.09 0.00 0.04 0.00 0.00 61.00 61.83 2dkz s PRO 12 Cb -0.23 -1.61 -0.23 0.00 0.04 0.00 0.00 34.50 32.47 2dkz s PRO 12 CO 0.30 -3.64 0.19 0.00 0.04 0.00 0.00 177.00 173.88 2dkz n ALA 13 N -4.72 1.38 0.04 8.56 0.00 -1.26 -4.35 120.51 120.17 2dkz n ALA 13 Ca 0.12 -1.02 -0.07 0.00 0.00 0.00 0.00 53.44 52.47 2dkz n ALA 13 Cb 0.59 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 2dkz n ALA 13 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dkz h ASP 14 N 0.01 0.00 -3.76 0.00 1.82 -1.96 -3.48 116.42 109.06 2dkz h ASP 14 Ca -0.47 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 55.88 2dkz h ASP 14 Cb 2.07 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.07 2dkz h ASP 14 CO 0.02 1.00 -0.38 0.18 -1.61 0.00 0.00 179.24 178.45 2dkz n LEU 15 N -3.28 -1.37 -1.50 2.28 4.32 -1.26 -4.83 117.00 111.35 2dkz n LEU 15 Ca -0.04 0.11 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 2dkz n LEU 15 Cb 0.96 -2.33 0.16 0.00 -1.62 0.00 0.00 43.42 40.59 2dkz n LEU 15 CO 0.47 -0.12 0.76 -1.20 -1.22 0.00 0.00 177.39 176.07 2dkz n SER 16 N -1.89 3.40 -0.90 -1.43 7.64 -1.26 -3.67 113.62 115.51 2dkz n SER 16 Ca -0.16 -3.78 -0.05 0.00 1.01 0.00 0.00 58.87 55.89 2dkz n SER 16 Cb 0.62 -0.65 -0.05 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 -1.06 0.61 3.65 0.23 0.00 -1.26 -4.83 105.19 102.54 2dkz n GLY 17 Ca 0.40 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 3.58 0.96 0.99 1.43 -1.26 -5.01 118.68 119.36 2dkz s LEU 18 Ca 0.00 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 2dkz s LEU 18 Cb 0.01 -1.84 0.21 0.00 0.03 0.00 0.00 46.19 44.59 2dkz s LEU 18 CO -0.00 0.32 1.32 -0.94 0.23 0.00 0.00 176.35 177.27 2dkz s SER 19 N -0.51 3.06 0.48 2.29 1.04 -1.26 -0.23 113.70 118.57 2dkz s SER 19 Ca 0.09 0.17 0.18 0.00 0.48 0.00 0.00 55.95 56.87 2dkz s SER 19 Cb -0.12 -0.19 1.19 0.00 0.10 0.00 0.00 66.02 67.00 2dkz s SER 19 CO 0.02 -2.76 2.05 0.40 0.98 0.00 0.00 173.24 173.93 2dkz h ILE 20 N -1.63 0.96 0.11 -1.02 2.04 -1.93 -2.40 117.51 113.63 2dkz h ILE 20 Ca -0.44 -0.47 -0.29 0.00 1.00 0.00 0.00 64.86 64.66 2dkz h ILE 20 Cb 1.23 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2dkz h ILE 20 CO 0.35 0.13 -1.45 -0.33 0.00 0.00 0.00 178.15 176.86 2dkz h GLU 21 N 0.00 0.23 -0.04 2.37 5.08 -1.92 -3.31 114.58 116.98 2dkz h GLU 21 Ca -0.00 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2dkz h GLU 21 Cb 0.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2dkz h GLU 21 CO 0.02 1.10 -0.13 0.93 -1.00 0.00 0.00 179.01 179.92 2dkz h GLU 22 N 0.06 0.06 -0.56 2.33 4.39 -1.79 -2.31 114.58 116.76 2dkz h GLU 22 Ca -0.21 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 2dkz h GLU 22 Cb 1.99 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.61 2dkz h GLU 22 CO 0.16 0.20 0.13 0.28 -1.16 0.00 0.00 179.01 178.62 2dkz h VAL 23 N 0.06 1.23 -0.81 3.13 2.07 -1.54 -2.16 116.25 118.22 2dkz h VAL 23 Ca 0.01 -0.84 0.16 0.00 0.82 0.00 0.00 66.70 66.86 2dkz h VAL 23 Cb 0.27 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2dkz h VAL 23 CO 0.02 0.31 0.54 0.28 0.02 0.00 0.00 177.57 178.74 2dkz h SER 24 N 0.83 0.42 0.89 0.57 0.02 -1.54 0.42 113.55 115.16 2dkz h SER 24 Ca 0.18 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.96 2dkz h SER 24 Cb 0.31 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2dkz h SER 24 CO -0.00 0.20 -1.20 0.11 -1.14 0.00 0.00 176.83 174.81 2dkz h LYS 25 N 0.44 0.00 -0.02 3.45 1.57 -1.54 -3.33 116.57 117.13 2dkz h LYS 25 Ca 0.40 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 2dkz h LYS 25 Cb 0.92 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 2dkz h LYS 25 CO -0.14 0.56 -0.36 0.77 -0.57 0.00 0.00 179.45 179.70 2dkz h SER 26 N 0.00 -1.10 -0.16 0.86 0.02 -0.29 -0.75 113.55 112.13 2dkz h SER 26 Ca -0.12 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dkz h SER 26 Cb 1.70 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 64.67 2dkz h SER 26 CO 0.08 -0.41 0.10 -0.07 -1.14 0.00 0.00 176.83 175.39 2dkz h LEU 27 N -0.50 0.20 -1.86 5.07 3.38 -1.68 -1.73 115.31 118.19 2dkz h LEU 27 Ca 0.06 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.24 2dkz h LEU 27 Cb 0.60 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2dkz h LEU 27 CO -0.30 0.16 0.57 -0.09 0.09 0.00 0.00 178.44 178.87 2dkz h ARG 28 N 0.23 0.11 -0.85 1.13 2.43 -1.24 0.12 114.38 116.32 2dkz h ARG 28 Ca 0.06 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 2dkz h ARG 28 Cb -0.01 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 2dkz h ARG 28 CO -0.01 0.08 0.44 0.35 -1.51 0.00 0.00 179.97 179.32 2dkz h PHE 29 N 0.12 0.78 0.00 2.20 3.57 -1.21 -2.33 116.94 120.08 2dkz h PHE 29 Ca 0.40 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.70 2dkz h PHE 29 Cb 1.40 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2dkz h PHE 29 CO -0.00 0.21 -1.85 0.44 -2.23 0.00 0.00 178.31 174.88 2dkz n ILE 30 N -4.85 1.20 -1.19 1.41 -5.35 -0.06 -5.07 119.36 105.46 2dkz n ILE 30 Ca 0.16 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2dkz n ILE 30 Cb 0.41 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 1.52 -2.28 3.60 3.28 0.00 0.24 -5.12 105.19 106.43 2dkz n GLY 31 Ca -0.18 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.00 -4.77 0.99 4.77 -1.26 -5.02 117.00 111.71 2dkz n LEU 32 Ca 0.00 -3.16 -0.40 0.00 -0.03 0.00 0.00 56.01 52.42 2dkz n LEU 32 Cb 0.00 0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2dkz n LEU 32 CO 0.00 -0.45 0.87 -0.44 -1.33 0.00 0.00 177.39 176.04 2dkz s SER 33 N -3.76 6.83 0.58 -1.43 0.01 -1.26 -4.90 113.70 109.77 2dkz s SER 33 Ca 0.01 2.42 0.28 0.00 1.31 0.00 0.00 55.95 59.97 2dkz s SER 33 Cb 0.00 -2.63 1.57 0.00 0.21 0.00 0.00 66.02 65.17 2dkz s SER 33 CO 0.01 -0.46 2.05 -0.33 0.41 0.00 0.00 173.24 174.91 2dkz h GLU 34 N 3.23 0.00 -0.23 12.44 5.08 -2.00 -1.16 114.58 131.93 2dkz h GLU 34 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 2dkz h GLU 34 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2dkz h GLU 34 CO 0.65 0.00 0.01 -0.44 -1.00 0.00 0.00 179.01 178.23 2dkz h ASP 35 N 0.00 0.39 0.24 1.42 5.19 -1.99 -2.37 116.42 119.31 2dkz h ASP 35 Ca 0.13 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 2dkz h ASP 35 Cb 0.67 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2dkz h ASP 35 CO -0.00 0.59 -0.12 0.58 -3.12 0.00 0.00 179.24 177.17 2dkz h VAL 36 N 0.18 0.77 -0.42 -1.35 2.07 -1.59 0.15 116.25 116.06 2dkz h VAL 36 Ca 0.07 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.63 2dkz h VAL 36 Cb 0.39 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2dkz h VAL 36 CO 0.01 0.01 -0.10 0.40 0.02 0.00 0.00 177.57 177.91 2dkz h ILE 37 N -0.34 0.58 0.00 4.57 2.04 -1.52 0.32 117.51 123.16 2dkz h ILE 37 Ca -0.03 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2dkz h ILE 37 Cb 0.26 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2dkz h ILE 37 CO 0.05 0.00 -0.32 0.28 0.00 0.00 0.00 178.15 178.16 2dkz h SER 38 N 0.00 0.00 0.28 1.72 0.02 -1.28 -2.38 113.55 111.91 2dkz h SER 38 Ca 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2dkz h SER 38 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2dkz h SER 38 CO -0.43 0.32 -0.06 -0.26 -1.14 0.00 0.00 176.83 175.26 2dkz h PHE 39 N 0.00 0.00 0.09 3.45 0.04 0.15 0.32 116.94 120.99 2dkz h PHE 39 Ca -0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 2dkz h PHE 39 Cb 0.65 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 2dkz h PHE 39 CO 0.00 0.06 -1.96 1.19 -0.60 0.00 0.00 178.31 177.01 2dkz n PHE 40 N -3.55 1.04 0.21 -0.55 3.01 -0.92 -3.37 117.46 113.33 2dkz n PHE 40 Ca -0.02 0.26 0.06 0.00 1.01 0.00 0.00 57.45 58.75 2dkz n PHE 40 Cb 0.18 -1.13 0.45 0.00 -0.01 0.00 0.00 39.48 38.97 2dkz n PHE 40 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2dkz h VAL 41 N -0.14 1.01 0.00 -4.37 2.07 -1.24 0.24 116.25 113.82 2dkz h VAL 41 Ca -0.44 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 2dkz h VAL 41 Cb 1.89 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2dkz h VAL 41 CO 0.00 0.29 -0.62 0.00 0.02 0.00 0.00 177.57 177.27 2dkz h THR 42 N 0.00 0.59 -0.55 2.57 1.03 -1.10 -3.24 112.91 112.21 2dkz h THR 42 Ca -0.00 -1.89 -0.13 0.00 -0.01 0.00 0.00 66.41 64.38 2dkz h THR 42 Cb 0.61 2.22 -0.08 0.00 -1.07 0.00 0.00 68.15 69.83 2dkz h THR 42 CO 0.04 0.34 0.16 -0.62 -0.01 0.00 0.00 175.52 175.43 2dkz n GLU 43 N -3.10 3.41 -2.19 0.00 -0.58 -0.97 -4.88 120.64 112.33 2dkz n GLU 43 Ca 0.00 -2.43 -0.15 0.00 -0.42 0.00 0.00 57.16 54.17 2dkz n GLU 43 Cb 0.71 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 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 0.09 -1.89 -2.53 3.49 4.81 -1.16 -4.90 118.16 116.07 2dkz n LYS 44 Ca 0.29 0.76 -0.43 0.00 -0.87 0.00 0.00 58.31 58.06 2dkz n LYS 44 Cb 1.13 -5.29 -0.02 0.00 0.02 0.00 0.00 35.03 30.86 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 4.45 0.33 3.15 -1.09 0.81 -4.98 121.20 121.25 2dkz s ILE 45 Ca 0.00 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2dkz s ILE 45 Cb 0.00 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 2dkz s ILE 45 CO 0.00 -0.09 0.04 -0.90 -1.23 0.00 0.00 174.94 172.75 2dkz n ASP 46 N 5.96 2.80 0.21 3.58 5.68 -1.26 -4.46 116.55 129.07 2dkz n ASP 46 Ca 0.12 -2.41 -0.16 0.00 -0.50 0.00 0.00 54.79 51.84 2dkz n ASP 46 Cb 0.46 0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.56 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 0.74 -0.85 1.32 6.12 0.00 -0.73 0.25 103.07 109.92 2dkz h GLY 47 Ca -0.27 0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.59 2dkz h GLY 47 CO 0.44 -0.30 0.25 -0.57 0.00 0.00 0.00 176.54 176.36 2dkz h ASN 48 N -0.74 0.00 0.03 0.19 -1.24 -1.72 -0.97 115.58 111.12 2dkz h ASN 48 Ca -0.02 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.72 2dkz h ASN 48 Cb 0.68 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.75 2dkz h ASN 48 CO -0.09 0.00 -1.07 0.25 -1.29 0.00 0.00 177.43 175.24 2dkz h LEU 49 N 0.00 0.89 -0.10 0.34 7.12 -1.66 -3.01 115.31 118.89 2dkz h LEU 49 Ca 0.16 -0.76 -0.00 0.00 0.13 0.00 0.00 57.88 57.41 2dkz h LEU 49 Cb 0.65 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2dkz h LEU 49 CO -0.00 1.54 0.05 0.25 -0.13 0.00 0.00 178.44 180.15 2dkz h LEU 50 N 0.34 0.13 -2.24 2.25 5.85 0.76 0.20 115.31 122.60 2dkz h LEU 50 Ca -0.14 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2dkz h LEU 50 Cb 1.73 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2dkz h LEU 50 CO 0.21 0.18 -0.04 -0.37 -0.34 0.00 0.00 178.44 178.07 2dkz h VAL 51 N 0.06 0.63 0.00 1.05 -1.51 -1.43 -1.71 116.25 113.34 2dkz h VAL 51 Ca 0.03 -0.17 -0.25 0.00 -1.23 0.00 0.00 66.70 65.09 2dkz h VAL 51 Cb 0.08 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.31 2dkz h VAL 51 CO -0.01 0.04 -1.38 1.56 -1.23 0.00 0.00 177.57 176.55 2dkz h GLN 52 N 0.00 0.00 -6.75 5.19 4.20 -1.26 -3.47 115.11 113.02 2dkz h GLN 52 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2dkz h GLN 52 Cb 0.10 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.00 2dkz h GLN 52 CO 0.01 0.66 0.43 1.28 -0.67 0.00 0.00 178.83 180.53 2dkz n LEU 53 N -3.15 3.52 0.00 1.46 4.77 0.63 -5.01 117.00 119.22 2dkz n LEU 53 Ca -0.09 1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.95 2dkz n LEU 53 Cb 0.98 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 2dkz n LEU 53 CO 0.45 -0.76 0.04 0.35 -1.33 0.00 0.00 177.39 176.15 2dkz n THR 54 N -0.04 0.00 -0.00 -5.08 -2.24 -1.26 -5.00 114.28 100.66 2dkz n THR 54 Ca 0.07 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2dkz n THR 54 Cb 0.38 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.11 -0.30 -0.78 4.81 -1.95 -3.21 114.58 113.27 2dkz h GLU 55 Ca -0.10 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.81 2dkz h GLU 55 Cb 0.38 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2dkz h GLU 55 CO 0.15 0.81 -0.34 0.93 -0.73 0.00 0.00 179.01 179.83 2dkz h GLU 56 N 0.03 0.66 -0.12 1.92 4.39 -1.99 -2.78 114.58 116.69 2dkz h GLU 56 Ca -0.32 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 58.90 2dkz h GLU 56 Cb 2.02 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.65 2dkz h GLU 56 CO 0.09 0.90 -0.66 0.82 -1.16 0.00 0.00 179.01 179.00 2dkz h ILE 57 N 0.55 1.35 0.00 3.13 2.04 -1.98 0.23 117.51 122.84 2dkz h ILE 57 Ca 0.06 -1.99 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 2dkz h ILE 57 Cb 0.84 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2dkz h ILE 57 CO 0.07 0.61 -0.20 -0.07 0.00 0.00 0.00 178.15 178.56 2dkz h LEU 58 N 0.35 0.00 0.00 1.44 3.38 -1.53 0.24 115.31 119.19 2dkz h LEU 58 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2dkz h LEU 58 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2dkz h LEU 58 CO 0.12 0.20 -2.09 -0.24 0.09 0.00 0.00 178.44 176.52 2dkz n SER 59 N -3.85 0.18 -0.06 -0.43 2.88 -1.06 -0.13 113.62 111.16 2dkz n SER 59 Ca -0.02 0.08 -0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2dkz n SER 59 Cb 0.30 1.08 -0.04 0.00 -0.75 0.00 0.00 64.21 64.80 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 -0.29 -3.24 114.58 113.97 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 0.32 0.00 -0.25 -1.16 0.00 0.00 179.01 177.95 2dkz n ASP 61 N -4.70 0.00 -0.33 1.42 8.00 0.83 -4.34 116.55 117.43 2dkz n ASP 61 Ca -0.05 0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.85 2dkz n ASP 61 Cb 0.19 -0.32 0.35 0.00 -0.02 0.00 0.00 41.12 41.32 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2dkz h PHE 62 N 0.00 0.97 -3.18 1.24 0.04 -1.58 -3.45 116.94 110.98 2dkz h PHE 62 Ca 0.00 0.03 -0.37 0.00 2.80 0.00 0.00 57.97 60.43 2dkz h PHE 62 Cb 0.00 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 2dkz h PHE 62 CO 0.00 0.26 -0.47 1.17 -0.60 0.00 0.00 178.31 178.67 2dkz n LYS 63 N -4.68 -1.82 -0.74 1.51 4.81 0.82 -4.94 118.16 113.12 2dkz n LYS 63 Ca 0.21 0.91 -0.31 0.00 -0.87 0.00 0.00 58.31 58.25 2dkz n LYS 63 Cb 0.56 -5.55 0.17 0.00 0.02 0.00 0.00 35.03 30.23 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 -5.89 2.58 0.83 3.14 1.43 -0.85 -4.95 118.68 114.97 2dkz s LEU 64 Ca 0.00 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.02 2dkz s LEU 64 Cb 0.00 -4.39 0.08 0.00 0.03 0.00 0.00 46.19 41.91 2dkz s LEU 64 CO 0.00 -3.14 1.11 -1.20 0.23 0.00 0.00 176.35 173.35 2dkz n SER 65 N -4.25 0.64 -0.19 2.29 7.64 -1.26 -4.64 113.62 113.84 2dkz n SER 65 Ca 0.10 0.55 -0.02 0.00 1.01 0.00 0.00 58.87 60.52 2dkz n SER 65 Cb 0.52 -1.47 0.09 0.00 -1.01 0.00 0.00 64.21 62.34 2dkz n SER 65 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2dkz h LYS 66 N -1.05 0.46 0.00 1.43 2.10 -2.00 0.17 116.57 117.68 2dkz h LYS 66 Ca -0.46 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 2dkz h LYS 66 Cb 1.30 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2dkz h LYS 66 CO 0.44 0.30 -0.23 -0.07 -2.00 0.00 0.00 179.45 177.89 2dkz h LEU 67 N 0.47 0.00 0.30 7.07 -0.00 -2.00 -2.61 115.31 118.54 2dkz h LEU 67 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2dkz h LEU 67 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2dkz h LEU 67 CO -0.24 0.23 -0.14 1.56 -0.00 0.00 0.00 178.44 179.85 2dkz h GLN 68 N 0.00 -0.39 -0.63 1.13 4.20 -1.37 -2.73 115.11 115.33 2dkz h GLN 68 Ca -0.00 0.03 0.18 0.00 0.06 0.00 0.00 58.65 58.92 2dkz h GLN 68 Cb 0.57 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2dkz h GLN 68 CO 0.03 -0.26 0.50 0.28 -0.67 0.00 0.00 178.83 178.71 2dkz h VAL 69 N -0.97 0.56 0.17 -0.54 2.07 -1.16 -0.92 116.25 115.48 2dkz h VAL 69 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2dkz h VAL 69 Cb 0.31 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2dkz h VAL 69 CO 0.07 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.07 2dkz h LYS 70 N 0.00 -0.22 -0.43 1.57 1.63 -1.50 -0.70 116.57 116.91 2dkz h LYS 70 Ca 0.30 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 2dkz h LYS 70 Cb 1.29 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 2dkz h LYS 70 CO -0.00 0.17 0.24 0.87 -3.45 0.00 0.00 179.45 177.27 2dkz h LYS 71 N -0.69 0.58 -0.05 1.90 1.57 -0.94 -2.10 116.57 116.84 2dkz h LYS 71 Ca -0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2dkz h LYS 71 Cb 0.49 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dkz h LYS 71 CO 0.04 0.43 -0.06 0.82 -0.57 0.00 0.00 179.45 180.10 2dkz h ILE 72 N 0.59 1.40 0.19 1.86 2.04 -1.19 -2.68 117.51 119.70 2dkz h ILE 72 Ca 0.15 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.75 2dkz h ILE 72 Cb 0.01 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2dkz h ILE 72 CO -0.03 0.35 -0.35 0.24 0.00 0.00 0.00 178.15 178.36 2dkz h MET 73 N -0.34 -0.60 -0.58 2.37 2.86 -0.84 -1.01 114.93 116.80 2dkz h MET 73 Ca 0.01 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.83 2dkz h MET 73 Cb 0.60 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 2dkz h MET 73 CO 0.02 -0.40 0.40 -0.56 1.06 0.00 0.00 176.91 177.43 2dkz h GLN 74 N -0.62 0.13 -0.31 1.72 3.07 -1.47 0.53 115.11 118.16 2dkz h GLN 74 Ca 0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 2dkz h GLN 74 Cb 0.62 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2dkz h GLN 74 CO -0.16 0.09 -0.30 0.35 0.09 0.00 0.00 178.83 178.90 2dkz h PHE 75 N 0.14 0.74 0.34 0.06 3.57 -0.86 0.12 116.94 121.04 2dkz h PHE 75 Ca 0.28 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2dkz h PHE 75 Cb 0.91 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2dkz h PHE 75 CO -0.00 0.86 -0.16 0.82 -2.23 0.00 0.00 178.31 177.60 2dkz h ILE 76 N 0.55 0.00 0.40 1.41 2.04 -0.01 -3.36 117.51 118.55 2dkz h ILE 76 Ca 0.07 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2dkz h ILE 76 Cb 0.78 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2dkz h ILE 76 CO 0.06 0.00 -0.30 0.78 0.00 0.00 0.00 178.15 178.70 2dkz h ASN 77 N -0.84 -0.76 -3.04 1.72 2.35 -1.49 -3.47 115.58 110.04 2dkz h ASN 77 Ca -0.05 0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 2dkz h ASN 77 Cb 0.35 0.24 0.06 0.00 0.05 0.00 0.00 38.32 39.01 2dkz h ASN 77 CO 0.08 -0.45 -0.31 0.61 -1.65 0.00 0.00 177.43 175.71 2dkz n GLY 78 N -1.42 0.22 3.62 2.83 0.00 0.03 -5.03 105.19 105.44 2dkz n GLY 78 Ca -0.10 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.08 5.38 0.00 1.61 1.04 -1.26 -5.05 113.70 112.34 2dkz s SER 79 Ca 0.24 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dkz s SER 79 Cb -0.11 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2dkz s SER 79 CO 0.30 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.35 2dkz n GLY 80 N 3.21 -0.25 3.56 7.32 0.00 -1.26 -5.04 105.19 112.73 2dkz n GLY 80 Ca -0.17 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.75 2.55 -0.05 1.61 0.04 -1.26 -4.90 135.00 131.24 2dkz s PRO 81 Ca 0.00 -0.42 -0.02 0.00 0.04 0.00 0.00 61.00 60.60 2dkz s PRO 81 Cb 0.00 -5.09 0.04 0.00 0.04 0.00 0.00 34.50 29.49 2dkz s PRO 81 CO 0.00 -3.46 0.10 0.45 0.04 0.00 0.00 177.00 174.13 2dkz s SER 82 N 7.81 0.56 0.52 6.66 0.15 -1.26 -5.14 113.70 123.00 2dkz s SER 82 Ca 0.70 0.19 -0.21 0.00 0.70 0.00 0.00 55.95 57.32 2dkz s SER 82 Cb -0.06 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.25 2dkz s SER 82 CO 0.01 -0.20 1.25 -0.44 1.20 0.00 0.00 173.24 175.06 2dkz s SER 83 N 1.78 5.60 0.00 5.45 0.01 -1.26 -5.19 113.70 120.08 2dkz s SER 83 Ca -0.01 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2dkz s SER 83 Cb -0.12 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dkz s SER 83 CO -0.04 -1.33 0.50 0.61 0.41 0.00 0.00 173.24 173.39