#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 0.00 -4.68 1.61 7.64 -1.26 -4.84 113.62 112.09 2dkz n SER 2 Ca 0.00 0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 2dkz n SER 2 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2dkz n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkz s SER 3 N -3.07 6.43 0.00 6.43 1.04 -1.26 -4.87 113.70 118.41 2dkz s SER 3 Ca 0.00 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.17 2dkz s SER 3 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dkz s SER 3 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2dkz n GLY 4 N 4.35 2.18 6.41 7.32 0.00 -1.26 -5.16 105.19 119.03 2dkz n GLY 4 Ca 0.19 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.10 0.02 1.61 2.88 -1.26 -4.85 113.62 105.92 2dkz n SER 5 Ca 0.00 0.16 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 2dkz n SER 5 Cb 0.00 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.00 2dkz n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dkz n SER 6 N -3.16 1.27 -2.34 -3.46 2.88 -1.26 -5.09 113.62 102.45 2dkz n SER 6 Ca 0.00 0.18 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 2dkz n SER 6 Cb 0.07 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.12 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 3.11 -0.71 3.68 0.46 0.00 -1.26 -4.95 105.19 105.52 2dkz n GLY 7 Ca -0.03 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.11 4.24 0.53 1.61 0.04 -1.26 -4.98 135.00 132.07 2dkz s PRO 8 Ca 0.04 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 2dkz s PRO 8 Cb -0.00 -3.72 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 2dkz s PRO 8 CO 0.40 -0.69 1.32 -0.46 0.04 0.00 0.00 177.00 177.62 2dkz s TRP 9 N 3.04 2.38 0.06 0.56 -0.00 -1.26 -5.03 118.94 118.68 2dkz s TRP 9 Ca 0.66 1.40 -0.06 0.00 -0.00 0.00 0.00 56.10 58.10 2dkz s TRP 9 Cb -0.31 -3.73 -0.01 0.00 -0.00 0.00 0.00 33.47 29.42 2dkz s TRP 9 CO 0.26 -2.67 0.12 1.14 -0.00 0.00 0.00 176.95 175.80 2dkz s GLN 10 N -2.88 0.70 0.56 5.86 -2.07 -1.26 -5.06 119.66 115.51 2dkz s GLN 10 Ca 0.70 -0.89 -0.19 0.00 -1.82 0.00 0.00 55.36 53.17 2dkz s GLN 10 Cb -0.38 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 31.76 2dkz s GLN 10 CO 0.45 -0.19 1.13 -1.25 -1.32 0.00 0.00 175.29 174.11 2dkz s PRO 11 N -3.27 3.26 1.11 9.60 0.04 -1.26 -5.04 135.00 139.44 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 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.81 2dkz s PRO 11 CO -0.08 -0.92 1.10 -1.25 0.04 0.00 0.00 177.00 175.90 2dkz s PRO 12 N -3.43 -0.50 -0.33 0.56 0.04 -1.26 -4.94 135.00 125.14 2dkz s PRO 12 Ca 0.72 0.20 0.04 0.00 0.04 0.00 0.00 61.00 62.00 2dkz s PRO 12 Cb -0.23 -1.66 0.55 0.00 0.04 0.00 0.00 34.50 33.20 2dkz s PRO 12 CO 0.30 -3.28 1.70 0.00 0.04 0.00 0.00 177.00 175.75 2dkz n ALA 13 N -4.51 4.77 0.00 8.56 0.00 -1.26 -4.24 120.51 123.83 2dkz n ALA 13 Ca 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.35 2dkz n ALA 13 Cb 0.58 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.61 0.00 -3.42 0.00 8.00 -1.26 -5.04 116.55 114.22 2dkz n ASP 14 Ca 0.44 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.69 2dkz n ASP 14 Cb 1.37 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 42.51 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 -1.84 -2.52 -0.69 0.64 4.32 -1.26 -4.87 117.00 110.79 2dkz n LEU 15 Ca 0.00 -0.47 0.04 0.00 -0.02 0.00 0.00 56.01 55.56 2dkz n LEU 15 Cb 0.00 -2.69 0.20 0.00 -1.62 0.00 0.00 43.42 39.31 2dkz n LEU 15 CO 0.00 0.35 0.48 -1.54 -1.22 0.00 0.00 177.39 175.46 2dkz n SER 16 N -2.63 2.05 -0.91 -1.43 3.41 -1.26 -3.43 113.62 109.42 2dkz n SER 16 Ca -0.03 -3.75 -0.05 0.00 -0.26 0.00 0.00 58.87 54.79 2dkz n SER 16 Cb 0.57 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.14 0.23 3.80 5.00 0.00 -1.26 -4.71 105.19 107.11 2dkz n GLY 17 Ca 0.22 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 4.22 0.81 0.99 1.43 -1.26 -4.99 118.68 119.75 2dkz s LEU 18 Ca 0.00 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 2dkz s LEU 18 Cb 0.01 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.26 2dkz s LEU 18 CO -0.00 0.31 1.09 -0.94 0.23 0.00 0.00 176.35 177.04 2dkz s SER 19 N -0.45 4.24 0.52 2.29 1.04 -1.26 -0.43 113.70 119.65 2dkz s SER 19 Ca 0.12 1.57 0.27 0.00 0.48 0.00 0.00 55.95 58.39 2dkz s SER 19 Cb -0.12 -2.29 1.40 0.00 0.10 0.00 0.00 66.02 65.11 2dkz s SER 19 CO 0.02 -2.16 1.94 0.40 0.98 0.00 0.00 173.24 174.41 2dkz h ILE 20 N -1.22 0.65 0.12 -1.02 2.04 -1.93 -0.17 117.51 115.99 2dkz h ILE 20 Ca -0.46 -0.02 -0.26 0.00 1.00 0.00 0.00 64.86 65.12 2dkz h ILE 20 Cb 1.25 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2dkz h ILE 20 CO 0.55 0.01 -1.09 -0.08 0.00 0.00 0.00 178.15 177.53 2dkz h GLU 21 N 0.05 0.52 -0.88 2.37 4.81 -1.90 -3.29 114.58 116.26 2dkz h GLU 21 Ca 0.35 -0.73 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 2dkz h GLU 21 Cb 1.32 0.25 -0.06 0.00 0.63 0.00 0.00 28.75 30.89 2dkz h GLU 21 CO -0.02 1.32 0.57 0.93 -0.73 0.00 0.00 179.01 181.08 2dkz h GLU 22 N 0.08 0.92 -0.84 1.92 4.39 -1.39 -1.28 114.58 118.38 2dkz h GLU 22 Ca -0.17 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.54 2dkz h GLU 22 Cb 1.80 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 30.19 2dkz h GLU 22 CO 0.21 0.61 0.55 0.28 -1.16 0.00 0.00 179.01 179.50 2dkz h VAL 23 N 0.95 1.03 -0.86 3.13 2.07 -1.45 -1.04 116.25 120.08 2dkz h VAL 23 Ca 0.39 -0.31 0.18 0.00 0.82 0.00 0.00 66.70 67.77 2dkz h VAL 23 Cb 0.27 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 2dkz h VAL 23 CO -0.15 0.17 0.57 0.28 0.02 0.00 0.00 177.57 178.45 2dkz h SER 24 N 0.91 0.45 0.74 0.57 0.02 -1.33 0.20 113.55 115.11 2dkz h SER 24 Ca 0.37 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 61.12 2dkz h SER 24 Cb 0.26 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2dkz h SER 24 CO -0.14 0.20 -1.38 0.11 -1.14 0.00 0.00 176.83 174.49 2dkz h LYS 25 N 0.46 0.00 -0.82 3.45 1.57 -1.31 -3.32 116.57 116.60 2dkz h LYS 25 Ca 0.44 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.39 2dkz h LYS 25 Cb 1.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 2dkz h LYS 25 CO -0.17 0.61 0.54 0.77 -0.57 0.00 0.00 179.45 180.64 2dkz h SER 26 N 0.00 0.43 0.82 0.86 0.02 -0.06 0.53 113.55 116.15 2dkz h SER 26 Ca -0.17 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.59 2dkz h SER 26 Cb 1.84 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.31 2dkz h SER 26 CO 0.09 0.21 -1.05 -0.07 -1.14 0.00 0.00 176.83 174.86 2dkz h LEU 27 N 0.45 0.17 -2.07 5.07 3.38 -1.62 -3.23 115.31 117.47 2dkz h LEU 27 Ca 0.41 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2dkz h LEU 27 Cb 0.93 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2dkz h LEU 27 CO -0.15 1.11 0.32 -0.09 0.09 0.00 0.00 178.44 179.72 2dkz h ARG 28 N 0.04 0.00 -0.96 1.13 2.43 -0.99 0.24 114.38 116.27 2dkz h ARG 28 Ca -0.06 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2dkz h ARG 28 Cb 1.79 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.26 2dkz h ARG 28 CO 0.15 0.00 0.60 0.35 -1.51 0.00 0.00 179.97 179.56 2dkz h PHE 29 N 0.00 1.09 0.00 2.20 3.57 -1.54 -2.70 116.94 119.56 2dkz h PHE 29 Ca 0.17 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.40 2dkz h PHE 29 Cb 0.81 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 2dkz h PHE 29 CO 0.00 0.46 -2.05 0.44 -2.23 0.00 0.00 178.31 174.93 2dkz n ILE 30 N -4.62 1.36 -0.72 1.41 -5.35 -0.32 -5.07 119.36 106.04 2dkz n ILE 30 Ca 0.17 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2dkz n ILE 30 Cb 0.30 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 1.62 -1.38 3.53 3.28 0.00 -0.08 -5.14 105.19 107.03 2dkz n GLY 31 Ca -0.24 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.11 -0.38 0.00 -0.03 0.00 0.00 56.01 52.49 2dkz n LEU 32 Cb 0.00 0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2dkz n LEU 32 CO 0.00 -0.44 0.83 -0.55 -1.33 0.00 0.00 177.39 175.90 2dkz s SER 33 N -3.71 6.57 0.46 -1.43 0.15 -1.26 -4.92 113.70 109.56 2dkz s SER 33 Ca 0.01 2.32 0.14 0.00 0.70 0.00 0.00 55.95 59.12 2dkz s SER 33 Cb 0.00 -2.61 1.08 0.00 -1.71 0.00 0.00 66.02 62.78 2dkz s SER 33 CO 0.01 -0.64 2.04 -0.33 1.20 0.00 0.00 173.24 175.51 2dkz h GLU 34 N 2.67 0.30 -0.31 5.44 5.08 -2.01 -1.01 114.58 124.75 2dkz h GLU 34 Ca -0.49 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 2dkz h GLU 34 Cb 1.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2dkz h GLU 34 CO 0.63 0.20 -0.35 0.22 -1.00 0.00 0.00 179.01 178.71 2dkz h ASP 35 N 0.31 0.72 0.32 1.42 1.82 -1.99 -2.96 116.42 116.07 2dkz h ASP 35 Ca 0.19 -0.30 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 2dkz h ASP 35 Cb 0.35 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2dkz h ASP 35 CO -0.04 1.00 -0.15 0.58 -1.61 0.00 0.00 179.24 179.02 2dkz h VAL 36 N 0.57 0.70 -0.66 2.25 2.07 -1.56 0.19 116.25 119.82 2dkz h VAL 36 Ca 0.06 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.52 2dkz h VAL 36 Cb 0.87 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 2dkz h VAL 36 CO 0.08 0.04 0.20 0.40 0.02 0.00 0.00 177.57 178.30 2dkz h ILE 37 N -0.53 0.66 0.00 4.57 2.04 -1.51 0.92 117.51 123.67 2dkz h ILE 37 Ca -0.04 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2dkz h ILE 37 Cb 0.39 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2dkz h ILE 37 CO 0.07 0.06 -0.41 -1.28 0.00 0.00 0.00 178.15 176.60 2dkz h SER 38 N 0.34 0.00 0.37 1.72 0.87 -1.38 -2.86 113.55 112.61 2dkz h SER 38 Ca 0.35 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2dkz h SER 38 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2dkz h SER 38 CO -0.39 0.41 -0.17 -0.26 -0.53 0.00 0.00 176.83 175.89 2dkz h PHE 39 N 0.00 0.00 0.00 2.24 0.04 0.19 -1.31 116.94 118.10 2dkz h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2dkz h PHE 39 Cb 0.93 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.08 2dkz h PHE 39 CO 0.00 0.17 -0.13 0.74 -0.60 0.00 0.00 178.31 178.49 2dkz h PHE 40 N 0.00 0.00 -0.58 -0.55 -1.00 -1.20 -3.18 116.94 110.43 2dkz h PHE 40 Ca -0.00 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 2dkz h PHE 40 Cb 0.40 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.89 2dkz h PHE 40 CO 0.00 0.41 0.23 0.28 -1.61 0.00 0.00 178.31 177.62 2dkz h VAL 41 N -1.00 0.80 0.00 -0.55 2.07 -1.52 0.15 116.25 116.20 2dkz h VAL 41 Ca -0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2dkz h VAL 41 Cb 0.45 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2dkz h VAL 41 CO -0.01 0.08 -0.03 0.00 0.02 0.00 0.00 177.57 177.62 2dkz h THR 42 N 0.42 0.61 -0.59 2.57 1.03 -1.40 -0.48 112.91 115.07 2dkz h THR 42 Ca 0.29 -0.12 -0.16 0.00 -0.01 0.00 0.00 66.41 66.41 2dkz h THR 42 Cb 0.33 1.08 -0.09 0.00 -1.07 0.00 0.00 68.15 68.39 2dkz h THR 42 CO -0.28 0.03 0.20 -0.62 -0.01 0.00 0.00 175.52 174.84 2dkz n GLU 43 N -3.90 3.35 -2.01 0.00 -0.58 0.15 -4.87 120.64 112.78 2dkz n GLU 43 Ca -0.03 -2.49 -0.16 0.00 -0.42 0.00 0.00 57.16 54.05 2dkz n GLU 43 Cb 0.12 -2.06 -0.04 0.00 -0.57 0.00 0.00 31.44 28.89 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 -2.55 3.49 3.00 -0.19 -4.90 118.16 115.31 2dkz n LYS 44 Ca 0.32 0.88 -0.43 0.00 -0.00 0.00 0.00 58.31 59.08 2dkz n LYS 44 Cb 1.18 -5.37 -0.02 0.00 0.00 0.00 0.00 35.03 30.82 2dkz n LYS 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dkz s ILE 45 N -2.64 4.49 0.00 3.15 -1.09 0.27 -5.00 121.20 120.39 2dkz s ILE 45 Ca 0.00 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.21 2dkz s ILE 45 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 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 5.78 1.91 0.48 3.58 5.75 -1.26 -4.29 116.55 128.49 2dkz n ASP 46 Ca 0.11 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.70 2dkz n ASP 46 Cb 0.46 0.00 -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 0.00 -1.31 1.00 6.12 0.00 -0.93 0.11 103.07 108.07 2dkz h GLY 47 Ca 0.00 0.50 0.14 0.00 0.00 0.00 0.00 47.33 47.97 2dkz h GLY 47 CO 0.00 -0.47 0.36 -0.57 0.00 0.00 0.00 176.54 175.86 2dkz h ASN 48 N -1.23 0.00 -0.06 0.19 -1.24 -1.75 -0.88 115.58 110.61 2dkz h ASN 48 Ca -0.12 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.71 2dkz h ASN 48 Cb 0.96 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.02 2dkz h ASN 48 CO 0.18 0.00 -0.64 0.25 -1.29 0.00 0.00 177.43 175.93 2dkz h LEU 49 N 0.00 0.67 -0.25 0.34 7.12 -1.77 -2.78 115.31 118.63 2dkz h LEU 49 Ca 0.24 -0.69 0.04 0.00 0.13 0.00 0.00 57.88 57.59 2dkz h LEU 49 Cb 0.95 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 2dkz h LEU 49 CO -0.00 1.26 0.01 0.25 -0.13 0.00 0.00 178.44 179.83 2dkz h LEU 50 N 0.13 -0.08 -1.71 2.25 5.85 0.63 0.15 115.31 122.53 2dkz h LEU 50 Ca -0.06 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2dkz h LEU 50 Cb 1.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2dkz h LEU 50 CO 0.13 -0.01 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.67 2dkz h VAL 51 N 0.09 0.80 0.00 1.05 -1.51 -1.52 -2.23 116.25 112.93 2dkz h VAL 51 Ca 0.12 -0.71 -0.16 0.00 -1.23 0.00 0.00 66.70 64.73 2dkz h VAL 51 Cb 0.15 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 2dkz h VAL 51 CO -0.20 0.18 -0.76 1.56 -1.23 0.00 0.00 177.57 177.12 2dkz h GLN 52 N 0.00 0.00 -6.83 5.19 4.20 -0.90 -3.45 115.11 113.31 2dkz h GLN 52 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2dkz h GLN 52 Cb 0.41 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.26 2dkz h GLN 52 CO 0.02 0.76 0.76 -0.51 -0.67 0.00 0.00 178.83 179.19 2dkz s LEU 53 N -6.63 4.37 0.36 1.46 1.43 0.40 -5.02 118.68 115.05 2dkz s LEU 53 Ca 0.02 2.80 0.09 0.00 -1.03 0.00 0.00 54.13 56.01 2dkz s LEU 53 Cb 0.09 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2dkz s LEU 53 CO 0.78 -0.74 -0.07 0.42 0.23 0.00 0.00 176.35 176.98 2dkz s THR 54 N -0.51 2.15 0.55 5.49 -4.23 -1.26 -5.00 115.64 112.84 2dkz s THR 54 Ca 0.56 -2.15 0.23 0.00 -1.18 0.00 0.00 61.69 59.15 2dkz s THR 54 Cb -0.43 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.00 2dkz s THR 54 CO 0.51 -0.15 2.17 -0.08 -0.54 0.00 0.00 174.62 176.52 2dkz h GLU 55 N 1.97 0.00 -0.03 3.99 4.81 -1.95 0.90 114.58 124.26 2dkz h GLU 55 Ca -0.42 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.70 2dkz h GLU 55 Cb 1.25 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.63 2dkz h GLU 55 CO 0.73 0.00 -0.40 0.93 -0.73 0.00 0.00 179.01 179.54 2dkz h GLU 56 N 0.00 0.33 0.00 1.92 5.08 -1.98 -2.25 114.58 117.68 2dkz h GLU 56 Ca 0.03 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2dkz h GLU 56 Cb 0.13 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2dkz h GLU 56 CO -0.00 0.98 -0.34 0.82 -1.00 0.00 0.00 179.01 179.47 2dkz h ILE 57 N -0.21 0.84 0.00 3.13 2.04 -1.80 0.23 117.51 121.73 2dkz h ILE 57 Ca -0.04 -1.41 -0.16 0.00 1.00 0.00 0.00 64.86 64.25 2dkz h ILE 57 Cb 1.09 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2dkz h ILE 57 CO 0.08 0.34 -0.77 -0.07 0.00 0.00 0.00 178.15 177.73 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.87 -1.28 115.31 117.98 2dkz h LEU 58 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2dkz h LEU 58 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2dkz h LEU 58 CO 0.04 0.77 -1.77 -0.24 0.09 0.00 0.00 178.44 177.33 2dkz n SER 59 N -3.35 0.53 -0.04 -0.43 2.88 -0.85 -0.39 113.62 111.97 2dkz n SER 59 Ca 0.01 0.24 -0.02 0.00 -1.33 0.00 0.00 58.87 57.76 2dkz n SER 59 Cb 0.82 0.59 -0.01 0.00 -0.75 0.00 0.00 64.21 64.87 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 5.08 -0.62 -3.27 114.58 114.31 2dkz h GLU 60 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2dkz h GLU 60 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2dkz h GLU 60 CO 0.04 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.80 2dkz n ASP 61 N -3.93 0.00 -0.36 1.42 9.92 -0.51 -4.04 116.55 119.05 2dkz n ASP 61 Ca -0.03 0.50 0.10 0.00 -0.53 0.00 0.00 54.79 54.84 2dkz n ASP 61 Cb 0.11 -0.33 0.28 0.00 -0.64 0.00 0.00 41.12 40.55 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 1.09 -2.54 1.24 0.04 -1.55 -3.45 116.94 111.77 2dkz h PHE 62 Ca 0.00 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.44 2dkz h PHE 62 Cb 0.00 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 37.75 2dkz h PHE 62 CO 0.05 0.32 -0.42 1.17 -0.60 0.00 0.00 178.31 178.84 2dkz n LYS 63 N -4.71 -1.70 -0.35 1.51 4.81 0.48 -4.94 118.16 113.25 2dkz n LYS 63 Ca 0.21 0.94 -0.30 0.00 -0.87 0.00 0.00 58.31 58.30 2dkz n LYS 63 Cb 0.48 -5.48 0.28 0.00 0.02 0.00 0.00 35.03 30.33 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 -5.38 -0.71 0.69 3.14 1.43 -1.00 -4.97 118.68 111.87 2dkz s LEU 64 Ca 0.00 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.05 2dkz s LEU 64 Cb 0.00 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2dkz s LEU 64 CO 0.00 -5.17 1.08 -0.55 0.23 0.00 0.00 176.35 171.94 2dkz s SER 65 N -2.86 5.12 0.35 2.29 0.15 -1.26 -4.74 113.70 112.74 2dkz s SER 65 Ca 0.68 1.80 0.07 0.00 0.70 0.00 0.00 55.95 59.21 2dkz s SER 65 Cb -0.17 -2.52 0.76 0.00 -1.71 0.00 0.00 66.02 62.37 2dkz s SER 65 CO 0.60 -1.62 1.89 0.50 1.20 0.00 0.00 173.24 175.82 2dkz h LYS 66 N -0.46 0.73 -0.35 5.44 3.64 -1.98 0.15 116.57 123.73 2dkz h LYS 66 Ca -0.45 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 2dkz h LYS 66 Cb 1.23 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2dkz h LYS 66 CO 0.55 0.49 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.12 2dkz h LEU 67 N 0.76 0.63 0.18 5.20 -0.00 -1.99 -2.25 115.31 117.83 2dkz h LEU 67 Ca 0.41 -0.32 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 2dkz h LEU 67 Cb 0.54 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2dkz h LEU 67 CO -0.18 0.80 -0.09 1.56 -0.00 0.00 0.00 178.44 180.53 2dkz h GLN 68 N 0.44 -0.24 -0.53 1.13 4.20 -1.65 0.61 115.11 119.08 2dkz h GLN 68 Ca 0.10 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.98 2dkz h GLN 68 Cb 0.49 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2dkz h GLN 68 CO 0.02 0.11 0.44 0.28 -0.67 0.00 0.00 178.83 179.02 2dkz h VAL 69 N -0.63 0.54 0.12 -0.54 2.07 -0.79 0.18 116.25 117.20 2dkz h VAL 69 Ca -0.03 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.23 2dkz h VAL 69 Cb 0.46 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2dkz h VAL 69 CO 0.04 0.00 -1.31 0.50 0.02 0.00 0.00 177.57 176.82 2dkz h LYS 70 N 0.00 0.25 0.05 1.57 3.64 -1.24 -3.19 116.57 117.66 2dkz h LYS 70 Ca 0.25 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2dkz h LYS 70 Cb 1.13 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dkz h LYS 70 CO -0.00 1.21 -0.03 -0.22 -2.27 0.00 0.00 179.45 178.14 2dkz h LYS 71 N -0.32 -0.07 0.26 1.90 3.64 0.35 0.01 116.57 122.35 2dkz h LYS 71 Ca -0.28 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2dkz h LYS 71 Cb 1.74 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.54 2dkz h LYS 71 CO 0.07 0.06 -0.38 0.82 -2.27 0.00 0.00 179.45 177.75 2dkz h ILE 72 N -0.18 0.22 -0.55 2.00 2.04 -0.87 -1.35 117.51 118.82 2dkz h ILE 72 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2dkz h ILE 72 Cb 0.16 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 2dkz h ILE 72 CO 0.01 0.00 0.25 0.24 0.00 0.00 0.00 178.15 178.65 2dkz h MET 73 N -0.70 0.46 -0.29 2.37 2.86 -1.54 -0.11 114.93 117.97 2dkz h MET 73 Ca -0.00 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2dkz h MET 73 Cb 0.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2dkz h MET 73 CO -0.14 0.30 0.23 1.96 1.06 0.00 0.00 176.91 180.33 2dkz h GLN 74 N 0.47 0.00 0.13 1.72 1.08 -0.58 -0.53 115.11 117.40 2dkz h GLN 74 Ca 0.26 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.18 2dkz h GLN 74 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2dkz h GLN 74 CO -0.21 0.00 -1.23 0.35 -0.95 0.00 0.00 178.83 176.78 2dkz h PHE 75 N 0.00 0.59 0.78 2.96 3.57 0.09 0.17 116.94 125.10 2dkz h PHE 75 Ca 0.14 -0.41 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 2dkz h PHE 75 Cb 0.60 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.32 2dkz h PHE 75 CO 0.00 1.31 -0.38 0.82 -2.23 0.00 0.00 178.31 177.83 2dkz h ILE 76 N 0.11 0.03 -0.13 1.41 2.04 -0.23 -3.28 117.51 117.45 2dkz h ILE 76 Ca -0.14 -0.22 -0.21 0.00 1.00 0.00 0.00 64.86 65.29 2dkz h ILE 76 Cb 1.94 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2dkz h ILE 76 CO 0.21 0.00 -0.76 0.78 0.00 0.00 0.00 178.15 178.38 2dkz h ASN 77 N -1.26 0.77 0.00 1.72 4.21 -1.52 -3.47 115.58 116.02 2dkz h ASN 77 Ca -0.11 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 56.90 2dkz h ASN 77 Cb 0.81 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2dkz h ASN 77 CO 0.18 1.28 0.00 0.61 -1.29 0.00 0.00 177.43 178.21 2dkz n GLY 78 N 0.64 1.64 3.56 2.83 0.00 0.05 -4.88 105.19 109.03 2dkz n GLY 78 Ca -0.06 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 3.49 2.66 -4.51 1.61 7.64 -1.26 -4.90 113.62 118.35 2dkz n SER 79 Ca 0.00 -0.06 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 2dkz n SER 79 Cb 0.00 -1.51 0.22 0.00 -1.01 0.00 0.00 64.21 61.90 2dkz n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 80 N 9.79 1.55 0.10 0.23 0.00 -1.26 -4.97 107.32 112.76 2dkz s GLY 80 Ca 1.02 -0.36 -0.15 0.00 0.00 0.00 0.00 44.72 45.23 2dkz s GLY 80 CO 0.34 0.34 1.43 -0.56 0.00 0.00 0.00 173.10 174.64 2dkz h PRO 81 N -2.31 0.71 -5.58 2.90 0.13 -2.02 -3.49 132.00 122.34 2dkz h PRO 81 Ca -0.57 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 64.15 2dkz h PRO 81 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2dkz h PRO 81 CO 0.53 0.99 -0.94 0.43 -0.23 0.00 0.00 178.00 178.78 2dkz n SER 82 N -4.26 -7.47 -3.72 1.44 7.64 -1.26 -5.05 113.62 100.94 2dkz n SER 82 Ca -0.04 0.91 -0.03 0.00 1.01 0.00 0.00 58.87 60.72 2dkz n SER 82 Cb 0.47 -4.13 -0.01 0.00 -1.01 0.00 0.00 64.21 59.53 2dkz n SER 82 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkz s SER 83 N -1.63 -0.17 0.00 6.43 0.15 -1.26 -5.32 113.70 111.90 2dkz s SER 83 Ca 0.07 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dkz s SER 83 Cb -0.01 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2dkz s SER 83 CO 0.60 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.85