#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 6.28 0.00 1.61 0.15 -1.26 -4.75 113.70 115.74 2dkz s SER 2 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dkz s SER 2 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2dkz s SER 2 CO 0.00 -1.50 0.00 -1.20 1.20 0.00 0.00 173.24 171.74 2dkz n SER 3 N 8.27 0.04 -4.81 5.45 7.64 -1.26 -5.05 113.62 123.90 2dkz n SER 3 Ca 0.02 0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.54 2dkz n SER 3 Cb 0.48 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 2dkz n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 4 N -4.97 2.34 -1.50 0.23 0.00 -1.26 -4.99 107.32 97.18 2dkz s GLY 4 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 2dkz s GLY 4 CO 0.00 0.16 2.90 -1.26 0.00 0.00 0.00 173.10 174.90 2dkz n SER 5 N 2.42 8.50 0.07 1.64 2.88 -1.26 -4.60 113.62 123.27 2dkz n SER 5 Ca -0.14 -2.66 0.02 0.00 -1.33 0.00 0.00 58.87 54.75 2dkz n SER 5 Cb 0.53 -1.52 0.36 0.00 -0.75 0.00 0.00 64.21 62.83 2dkz n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dkz h SER 6 N 4.83 0.33 -3.00 -3.46 4.64 -2.04 -3.46 113.55 111.39 2dkz h SER 6 Ca 0.82 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.99 2dkz h SER 6 Cb 0.34 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2dkz h SER 6 CO 1.66 0.44 0.15 0.61 -0.87 0.00 0.00 176.83 178.82 2dkz n GLY 7 N -0.91 1.39 3.72 -0.77 0.00 -1.26 -5.14 105.19 102.20 2dkz n GLY 7 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.24 4.34 -0.01 1.61 0.04 -1.26 -5.03 135.00 132.45 2dkz s PRO 8 Ca 0.17 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 2dkz s PRO 8 Cb -0.03 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2dkz s PRO 8 CO 0.13 -0.40 0.19 -0.46 0.04 0.00 0.00 177.00 176.49 2dkz s TRP 9 N 1.03 3.56 0.09 0.56 -0.00 -1.26 -5.11 118.94 117.81 2dkz s TRP 9 Ca 0.63 0.39 -0.08 0.00 -0.00 0.00 0.00 56.10 57.04 2dkz s TRP 9 Cb -0.36 -1.85 -0.01 0.00 -0.00 0.00 0.00 33.47 31.25 2dkz s TRP 9 CO 0.31 0.65 0.18 -0.65 -0.00 0.00 0.00 176.95 177.44 2dkz s GLN 10 N -1.87 0.86 0.56 5.86 -0.21 -1.26 -5.06 119.66 118.55 2dkz s GLN 10 Ca 0.27 -1.00 -0.19 0.00 0.02 0.00 0.00 55.36 54.46 2dkz s GLN 10 Cb -0.13 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.17 2dkz s GLN 10 CO 0.18 -0.27 1.12 -1.25 -2.12 0.00 0.00 175.29 172.95 2dkz s PRO 11 N -3.88 3.26 1.08 2.91 0.04 -1.26 -5.04 135.00 132.11 2dkz s PRO 11 Ca 0.07 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 2dkz s PRO 11 Cb 0.05 -2.00 0.27 0.00 0.04 0.00 0.00 34.50 32.86 2dkz s PRO 11 CO -0.10 -0.91 0.96 -0.35 0.04 0.00 0.00 177.00 176.64 2dkz n PRO 12 N -1.50 -2.91 -1.14 0.56 -0.04 -1.26 -4.95 135.00 123.77 2dkz n PRO 12 Ca 0.11 -1.54 -0.15 0.00 -0.04 0.00 0.00 63.50 61.89 2dkz n PRO 12 Cb 0.51 -1.44 0.25 0.00 -0.04 0.00 0.00 33.50 32.78 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 -4.65 5.11 0.00 0.55 0.00 -1.26 -4.34 120.51 115.92 2dkz n ALA 13 Ca -0.18 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2dkz n ALA 13 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2dkz n ALA 13 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dkz n ASP 14 N -0.64 0.41 -2.29 0.00 5.75 -1.26 -5.03 116.55 113.50 2dkz n ASP 14 Ca 0.51 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 55.10 2dkz n ASP 14 Cb 1.54 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.61 2dkz n ASP 14 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2dkz n LEU 15 N -1.85 -1.65 -1.18 -2.12 4.77 -1.26 -4.85 117.00 108.85 2dkz n LEU 15 Ca 0.00 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2dkz n LEU 15 Cb 0.07 -2.69 0.19 0.00 -2.33 0.00 0.00 43.42 38.66 2dkz n LEU 15 CO 0.00 -0.30 0.66 -1.54 -1.33 0.00 0.00 177.39 174.88 2dkz n SER 16 N -1.83 2.56 -0.71 -1.43 3.41 -1.26 -3.52 113.62 110.85 2dkz n SER 16 Ca -0.21 -3.81 -0.02 0.00 -0.26 0.00 0.00 58.87 54.56 2dkz n SER 16 Cb 0.66 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.11 0.80 3.79 5.00 0.00 -1.26 -4.75 105.19 107.66 2dkz n GLY 17 Ca 0.33 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 3.92 0.70 0.99 1.43 -1.26 -5.01 118.68 119.45 2dkz s LEU 18 Ca 0.01 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 2dkz s LEU 18 Cb 0.01 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 44.00 2dkz s LEU 18 CO -0.00 0.27 1.00 -0.94 0.23 0.00 0.00 176.35 176.90 2dkz s SER 19 N -1.77 4.79 0.57 2.29 1.04 -1.26 -1.27 113.70 118.09 2dkz s SER 19 Ca 0.23 0.37 0.27 0.00 0.48 0.00 0.00 55.95 57.30 2dkz s SER 19 Cb -0.12 -1.02 1.57 0.00 0.10 0.00 0.00 66.02 66.55 2dkz s SER 19 CO 0.14 -1.60 2.08 0.40 0.98 0.00 0.00 173.24 175.25 2dkz h ILE 20 N -0.56 0.57 0.14 -1.02 2.04 -1.94 -1.47 117.51 115.26 2dkz h ILE 20 Ca -0.44 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.24 2dkz h ILE 20 Cb 1.31 0.83 0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2dkz h ILE 20 CO 0.58 0.00 -0.83 -0.08 0.00 0.00 0.00 178.15 177.82 2dkz h GLU 21 N 0.00 0.29 -0.72 2.37 4.81 -1.92 -3.32 114.58 116.09 2dkz h GLU 21 Ca 0.11 -0.49 0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2dkz h GLU 21 Cb 0.55 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2dkz h GLU 21 CO -0.00 1.23 0.47 0.93 -0.73 0.00 0.00 179.01 180.92 2dkz h GLU 22 N -0.39 0.87 -0.92 1.92 4.39 -1.68 -1.86 114.58 116.90 2dkz h GLU 22 Ca -0.15 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.59 2dkz h GLU 22 Cb 1.63 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 2dkz h GLU 22 CO 0.14 0.57 0.60 0.28 -1.16 0.00 0.00 179.01 179.44 2dkz h VAL 23 N 0.89 1.00 -0.78 3.13 2.07 -1.40 -0.51 116.25 120.65 2dkz h VAL 23 Ca 0.28 -0.33 0.20 0.00 0.82 0.00 0.00 66.70 67.67 2dkz h VAL 23 Cb 0.02 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 2dkz h VAL 23 CO -0.08 0.18 0.54 0.28 0.02 0.00 0.00 177.57 178.51 2dkz h SER 24 N 0.97 0.17 0.72 0.57 0.02 -1.43 0.14 113.55 114.71 2dkz h SER 24 Ca 0.42 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 2dkz h SER 24 Cb 0.34 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2dkz h SER 24 CO -0.18 0.08 -1.40 0.11 -1.14 0.00 0.00 176.83 174.30 2dkz h LYS 25 N 0.18 0.00 -0.83 3.45 1.57 -1.22 -3.34 116.57 116.37 2dkz h LYS 25 Ca 0.38 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.28 2dkz h LYS 25 Cb 1.24 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 2dkz h LYS 25 CO -0.07 0.34 0.54 0.77 -0.57 0.00 0.00 179.45 180.46 2dkz h SER 26 N 0.00 0.64 1.29 0.86 0.02 0.09 0.29 113.55 116.73 2dkz h SER 26 Ca -0.17 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 2dkz h SER 26 Cb 1.64 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.06 2dkz h SER 26 CO 0.05 0.35 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.38 2dkz h LEU 27 N 0.69 0.00 -1.92 5.07 3.38 -1.65 -3.24 115.31 117.64 2dkz h LEU 27 Ca 0.40 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.53 2dkz h LEU 27 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2dkz h LEU 27 CO -0.16 0.64 0.42 -0.09 0.09 0.00 0.00 178.44 179.33 2dkz h ARG 28 N 0.00 0.08 -0.06 1.13 2.43 -1.05 -0.26 114.38 116.64 2dkz h ARG 28 Ca -0.01 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2dkz h ARG 28 Cb 1.46 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.94 2dkz h ARG 28 CO 0.08 0.05 -0.27 0.35 -1.51 0.00 0.00 179.97 178.67 2dkz h PHE 29 N 0.08 -0.74 0.00 2.20 3.57 -1.57 -2.36 116.94 118.13 2dkz h PHE 29 Ca 0.28 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 2dkz h PHE 29 Cb 1.02 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 2dkz h PHE 29 CO -0.00 -0.36 -0.67 -0.84 -2.23 0.00 0.00 178.31 174.21 2dkz h ILE 30 N -0.38 1.17 -2.52 1.41 3.07 -1.60 -3.49 117.51 115.17 2dkz h ILE 30 Ca 0.08 -2.60 0.00 0.00 1.55 0.00 0.00 64.86 63.89 2dkz h ILE 30 Cb 0.50 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 2dkz h ILE 30 CO -0.28 0.66 0.00 0.61 -1.05 0.00 0.00 178.15 178.09 2dkz n GLY 31 N 1.20 -1.19 3.96 0.16 0.00 -0.18 -5.11 105.19 104.03 2dkz n GLY 31 Ca 0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.52 2.77 0.35 0.99 1.43 -1.25 -5.04 118.68 117.42 2dkz s LEU 32 Ca 0.00 -1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 51.69 2dkz s LEU 32 Cb 0.00 -1.25 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 2dkz s LEU 32 CO 0.00 -1.27 1.10 -0.55 0.23 0.00 0.00 176.35 175.86 2dkz s SER 33 N -4.47 6.90 0.57 2.29 0.15 -1.26 -4.91 113.70 112.97 2dkz s SER 33 Ca 0.44 2.21 0.27 0.00 0.70 0.00 0.00 55.95 59.57 2dkz s SER 33 Cb -0.03 -2.61 1.55 0.00 -1.71 0.00 0.00 66.02 63.21 2dkz s SER 33 CO 0.28 -0.40 2.04 -0.33 1.20 0.00 0.00 173.24 176.02 2dkz h GLU 34 N 3.04 0.00 -0.00 5.44 5.08 -2.00 0.19 114.58 126.33 2dkz h GLU 34 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.73 2dkz h GLU 34 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2dkz h GLU 34 CO 0.64 0.00 -0.71 0.22 -1.00 0.00 0.00 179.01 178.16 2dkz h ASP 35 N 0.00 0.03 -0.01 1.42 1.82 -1.99 -2.98 116.42 114.71 2dkz h ASP 35 Ca 0.14 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2dkz h ASP 35 Cb 0.72 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2dkz h ASP 35 CO -0.00 0.73 -0.02 0.58 -1.61 0.00 0.00 179.24 178.92 2dkz h VAL 36 N 0.01 1.46 -0.02 2.25 2.07 -0.99 -2.23 116.25 118.80 2dkz h VAL 36 Ca -0.01 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.17 2dkz h VAL 36 Cb 1.26 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.36 2dkz h VAL 36 CO 0.09 0.36 -0.18 0.40 0.02 0.00 0.00 177.57 178.26 2dkz h ILE 37 N -0.54 0.56 0.00 4.57 2.04 -1.54 -1.05 117.51 121.56 2dkz h ILE 37 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2dkz h ILE 37 Cb 0.60 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2dkz h ILE 37 CO 0.00 0.00 -0.08 0.77 0.00 0.00 0.00 178.15 178.85 2dkz h SER 38 N -0.29 0.00 0.37 1.72 4.64 -1.61 -1.21 113.55 117.18 2dkz h SER 38 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2dkz h SER 38 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2dkz h SER 38 CO -0.19 0.08 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.42 2dkz h PHE 39 N 0.00 0.00 0.13 4.77 0.04 -0.54 -0.02 116.94 121.32 2dkz h PHE 39 Ca -0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 2dkz h PHE 39 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2dkz h PHE 39 CO 0.00 0.17 -1.81 0.74 -0.60 0.00 0.00 178.31 176.81 2dkz h PHE 40 N 0.00 0.50 0.00 -0.55 -1.00 -0.98 -3.18 116.94 111.74 2dkz h PHE 40 Ca -0.00 -0.37 -0.07 0.00 2.81 0.00 0.00 57.97 60.34 2dkz h PHE 40 Cb 0.40 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 2dkz h PHE 40 CO 0.00 1.71 -0.34 0.28 -1.61 0.00 0.00 178.31 178.36 2dkz h VAL 41 N -0.05 1.04 0.00 -0.55 2.07 -1.30 0.25 116.25 117.71 2dkz h VAL 41 Ca -0.39 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 2dkz h VAL 41 Cb 1.96 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 2dkz h VAL 41 CO 0.08 0.33 -0.59 0.00 0.02 0.00 0.00 177.57 177.42 2dkz h THR 42 N 0.00 0.80 -0.56 2.57 1.03 -1.14 -3.22 112.91 112.40 2dkz h THR 42 Ca -0.00 -2.16 -0.13 0.00 -0.01 0.00 0.00 66.41 64.11 2dkz h THR 42 Cb 0.68 2.37 -0.08 0.00 -1.07 0.00 0.00 68.15 70.05 2dkz h THR 42 CO 0.04 0.46 0.16 -0.62 -0.01 0.00 0.00 175.52 175.56 2dkz n GLU 43 N -3.18 3.40 -2.25 0.00 -0.58 -1.01 -4.88 120.64 112.13 2dkz n GLU 43 Ca 0.01 -2.43 -0.14 0.00 -0.42 0.00 0.00 57.16 54.18 2dkz n GLU 43 Cb 0.74 -2.05 -0.02 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 0.08 -1.97 -2.50 3.49 4.81 -1.17 -4.89 118.16 116.01 2dkz n LYS 44 Ca 0.30 0.71 -0.43 0.00 -0.87 0.00 0.00 58.31 58.02 2dkz n LYS 44 Cb 1.13 -5.26 -0.02 0.00 0.02 0.00 0.00 35.03 30.90 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 4.36 0.49 3.15 -1.09 0.83 -4.98 121.20 121.35 2dkz s ILE 45 Ca 0.00 1.61 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 2dkz s ILE 45 Cb 0.00 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 2dkz s ILE 45 CO 0.00 -0.27 0.11 -0.90 -1.23 0.00 0.00 174.94 172.65 2dkz n ASP 46 N 6.82 3.13 -0.02 3.58 5.75 -1.26 -4.47 116.55 130.07 2dkz n ASP 46 Ca 0.13 -2.99 -0.08 0.00 -0.01 0.00 0.00 54.79 51.84 2dkz n ASP 46 Cb 0.46 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.99 -0.03 1.99 6.12 0.00 -1.37 0.23 103.07 110.99 2dkz h GLY 47 Ca -0.38 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2dkz h GLY 47 CO 0.61 -0.15 0.00 -0.57 0.00 0.00 0.00 176.54 176.43 2dkz h ASN 48 N -0.16 0.00 0.13 0.19 -1.24 -1.74 -1.91 115.58 110.85 2dkz h ASN 48 Ca 0.11 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.87 2dkz h ASN 48 Cb 0.33 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.40 2dkz h ASN 48 CO -0.28 0.00 -1.05 0.25 -1.29 0.00 0.00 177.43 175.06 2dkz h LEU 49 N 0.00 0.71 0.04 0.34 7.12 -1.43 -3.11 115.31 118.98 2dkz h LEU 49 Ca 0.00 -0.86 -0.00 0.00 0.13 0.00 0.00 57.88 57.15 2dkz h LEU 49 Cb 0.01 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2dkz h LEU 49 CO -0.00 1.50 -0.02 0.25 -0.13 0.00 0.00 178.44 180.04 2dkz h LEU 50 N 0.02 -0.05 -2.42 2.25 5.85 0.04 0.17 115.31 121.16 2dkz h LEU 50 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2dkz h LEU 50 Cb 1.78 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 2dkz h LEU 50 CO 0.20 -0.04 0.01 -0.37 -0.34 0.00 0.00 178.44 177.90 2dkz h VAL 51 N -0.06 0.56 0.01 1.05 -1.51 -1.49 -1.29 116.25 113.52 2dkz h VAL 51 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.21 2dkz h VAL 51 Cb 0.05 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.16 2dkz h VAL 51 CO 0.01 0.00 -1.40 1.56 -1.23 0.00 0.00 177.57 176.51 2dkz h GLN 52 N 0.00 0.03 -6.78 5.19 4.20 -1.27 -3.47 115.11 113.02 2dkz h GLN 52 Ca 0.00 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.11 2dkz h GLN 52 Cb 0.02 0.02 0.10 0.00 0.30 0.00 0.00 27.48 27.93 2dkz h GLN 52 CO -0.00 0.78 0.61 1.28 -0.67 0.00 0.00 178.83 180.83 2dkz n LEU 53 N -3.22 3.85 -4.50 1.46 4.77 0.53 -5.01 117.00 114.89 2dkz n LEU 53 Ca -0.10 1.20 -0.25 0.00 -0.03 0.00 0.00 56.01 56.83 2dkz n LEU 53 Cb 1.00 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2dkz n LEU 53 CO 0.46 -0.28 -0.44 0.42 -1.33 0.00 0.00 177.39 176.22 2dkz s THR 54 N -0.88 2.35 0.58 -5.08 -4.23 -1.26 -4.99 115.64 102.13 2dkz s THR 54 Ca 0.57 -2.32 0.27 0.00 -1.18 0.00 0.00 61.69 59.03 2dkz s THR 54 Cb -0.55 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.20 2dkz s THR 54 CO 0.60 -0.32 2.16 -0.08 -0.54 0.00 0.00 174.62 176.43 2dkz h GLU 55 N 2.18 0.00 -0.19 3.99 4.81 -1.95 -0.71 114.58 122.71 2dkz h GLU 55 Ca -0.41 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.66 2dkz h GLU 55 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2dkz h GLU 55 CO 0.64 0.00 -0.50 0.93 -0.73 0.00 0.00 179.01 179.35 2dkz h GLU 56 N 0.00 0.67 -0.01 1.92 5.08 -1.99 -2.84 114.58 117.41 2dkz h GLU 56 Ca 0.05 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 2dkz h GLU 56 Cb 0.27 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2dkz h GLU 56 CO -0.00 1.09 -0.67 0.82 -1.00 0.00 0.00 179.01 179.25 2dkz h ILE 57 N 0.36 1.47 0.00 3.13 2.04 -1.68 0.18 117.51 123.00 2dkz h ILE 57 Ca -0.01 -2.27 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 2dkz h ILE 57 Cb 1.12 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2dkz h ILE 57 CO 0.11 0.65 -0.30 -0.07 0.00 0.00 0.00 178.15 178.54 2dkz h LEU 58 N 0.03 0.00 0.00 1.44 3.38 -1.17 0.92 115.31 119.92 2dkz h LEU 58 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2dkz h LEU 58 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2dkz h LEU 58 CO 0.09 0.30 -2.23 -0.24 0.09 0.00 0.00 178.44 176.45 2dkz n SER 59 N -3.69 0.03 -0.04 -0.43 2.88 -1.07 -0.57 113.62 110.73 2dkz n SER 59 Ca -0.01 0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2dkz n SER 59 Cb 0.41 1.29 -0.00 0.00 -0.75 0.00 0.00 64.21 65.16 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 -0.56 -3.27 114.58 113.69 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 -3.47 -1.16 0.00 0.00 179.01 174.40 2dkz n ASP 61 N -3.97 0.00 -0.34 1.42 2.03 0.27 -4.15 116.55 111.80 2dkz n ASP 61 Ca -0.02 0.39 0.12 0.00 0.52 0.00 0.00 54.79 55.81 2dkz n ASP 61 Cb 0.06 -0.31 0.32 0.00 -0.72 0.00 0.00 41.12 40.48 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2dkz h PHE 62 N 0.00 1.03 -2.64 -0.67 -1.00 -1.54 -3.45 116.94 108.67 2dkz h PHE 62 Ca 0.00 0.03 -0.38 0.00 2.81 0.00 0.00 57.97 60.43 2dkz h PHE 62 Cb 0.00 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.19 2dkz h PHE 62 CO 0.02 0.28 -0.46 1.17 -1.61 0.00 0.00 178.31 177.72 2dkz n LYS 63 N -4.70 -1.70 -0.30 1.51 4.81 0.27 -4.95 118.16 113.10 2dkz n LYS 63 Ca 0.22 0.98 -0.29 0.00 -0.87 0.00 0.00 58.31 58.35 2dkz n LYS 63 Cb 0.53 -5.56 0.28 0.00 0.02 0.00 0.00 35.03 30.30 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 -2.79 0.00 -4.88 3.14 4.77 -0.61 -4.94 117.00 111.69 2dkz n LEU 64 Ca -0.22 -0.87 -0.30 0.00 -0.03 0.00 0.00 56.01 54.60 2dkz n LEU 64 Cb 0.66 -0.95 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2dkz n LEU 64 CO 0.27 -2.71 0.64 -0.44 -1.33 0.00 0.00 177.39 173.82 2dkz s SER 65 N -3.19 6.17 0.18 -1.43 0.01 -1.26 -4.82 113.70 109.34 2dkz s SER 65 Ca 0.64 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 2dkz s SER 65 Cb -0.11 -2.35 0.14 0.00 0.21 0.00 0.00 66.02 63.92 2dkz s SER 65 CO 0.53 -0.83 1.70 0.50 0.41 0.00 0.00 173.24 175.56 2dkz h LYS 66 N -0.19 0.14 -0.29 12.44 3.64 -1.98 0.18 116.57 130.52 2dkz h LYS 66 Ca -0.45 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 2dkz h LYS 66 Cb 1.20 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 2dkz h LYS 66 CO 0.62 0.09 0.03 -0.07 -2.27 0.00 0.00 179.45 177.85 2dkz h LEU 67 N 0.15 -0.06 0.42 5.20 -0.00 -1.98 0.21 115.31 119.26 2dkz h LEU 67 Ca 0.22 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 58.14 2dkz h LEU 67 Cb 0.31 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2dkz h LEU 67 CO -0.34 0.01 -0.20 1.56 -0.00 0.00 0.00 178.44 179.47 2dkz h GLN 68 N 0.12 -0.55 -0.66 1.13 4.20 -1.75 0.14 115.11 117.75 2dkz h GLN 68 Ca 0.14 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.07 2dkz h GLN 68 Cb 0.17 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2dkz h GLN 68 CO -0.21 -0.30 0.47 0.28 -0.67 0.00 0.00 178.83 178.40 2dkz h VAL 69 N -0.69 0.69 0.00 -0.54 2.07 -0.48 0.28 116.25 117.58 2dkz h VAL 69 Ca -0.06 -0.02 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 2dkz h VAL 69 Cb 0.50 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2dkz h VAL 69 CO 0.10 0.01 -1.19 0.50 0.02 0.00 0.00 177.57 177.01 2dkz h LYS 70 N 0.06 0.00 0.02 1.57 3.64 -0.57 -2.82 116.57 118.46 2dkz h LYS 70 Ca 0.31 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.48 2dkz h LYS 70 Cb 1.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2dkz h LYS 70 CO -0.02 0.85 -0.95 -0.22 -2.27 0.00 0.00 179.45 176.83 2dkz h LYS 71 N 0.00 0.29 -0.05 1.90 3.64 0.22 -2.79 116.57 119.77 2dkz h LYS 71 Ca -0.09 -0.33 -0.16 0.00 -1.27 0.00 0.00 60.65 58.80 2dkz h LYS 71 Cb 1.83 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.76 2dkz h LYS 71 CO 0.11 1.05 -0.57 0.82 -2.27 0.00 0.00 179.45 178.59 2dkz h ILE 72 N 0.15 1.39 0.11 2.00 2.04 -0.71 -3.10 117.51 119.39 2dkz h ILE 72 Ca -0.07 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 2dkz h ILE 72 Cb 1.60 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 2dkz h ILE 72 CO 0.15 0.58 -0.05 0.24 0.00 0.00 0.00 178.15 179.07 2dkz h MET 73 N 0.03 -0.14 -0.29 2.37 2.86 -1.58 -1.79 114.93 116.40 2dkz h MET 73 Ca -0.06 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2dkz h MET 73 Cb 1.25 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 2dkz h MET 73 CO 0.12 -0.09 0.28 -0.56 1.06 0.00 0.00 176.91 177.72 2dkz h GLN 74 N -0.15 0.00 -0.01 1.72 3.07 -1.59 -0.77 115.11 117.38 2dkz h GLN 74 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.55 2dkz h GLN 74 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.69 2dkz h GLN 74 CO 0.02 0.00 -0.67 0.35 0.09 0.00 0.00 178.83 178.62 2dkz h PHE 75 N 0.00 0.70 0.05 0.06 3.57 -1.27 0.11 116.94 120.17 2dkz h PHE 75 Ca 0.14 -0.37 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 2dkz h PHE 75 Cb 0.69 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2dkz h PHE 75 CO 0.00 1.19 -0.02 0.82 -2.23 0.00 0.00 178.31 178.07 2dkz h ILE 76 N 0.01 1.07 0.00 1.41 2.04 -0.48 -3.00 117.51 118.56 2dkz h ILE 76 Ca -0.08 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 2dkz h ILE 76 Cb 1.37 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2dkz h ILE 76 CO 0.13 0.10 -0.61 0.78 0.00 0.00 0.00 178.15 178.55 2dkz h ASN 77 N -0.24 0.00 -0.38 1.72 2.35 -1.42 -3.48 115.58 114.14 2dkz h ASN 77 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2dkz h ASN 77 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2dkz h ASN 77 CO 0.01 0.61 0.00 0.61 -1.65 0.00 0.00 177.43 177.01 2dkz n GLY 78 N 0.36 0.78 3.55 2.83 0.00 0.23 -4.95 105.19 107.99 2dkz n GLY 78 Ca -0.01 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 1.49 2.38 -3.72 1.61 7.64 -0.22 -4.89 113.62 117.90 2dkz n SER 79 Ca 0.00 -0.38 -0.13 0.00 1.01 0.00 0.00 58.87 59.37 2dkz n SER 79 Cb 0.42 -1.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.00 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 11.55 1.35 0.13 0.23 0.00 -1.26 -4.95 107.32 114.37 2dkz s GLY 80 Ca 1.00 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 2dkz s GLY 80 CO 0.28 -1.08 0.12 -1.55 0.00 0.00 0.00 173.10 170.87 2dkz n PRO 81 N -0.44 -1.26 0.03 2.90 -0.04 -1.26 -4.88 135.00 130.04 2dkz n PRO 81 Ca 0.01 -0.19 0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2dkz n PRO 81 Cb 0.63 -0.18 0.60 0.00 -0.04 0.00 0.00 33.50 34.51 2dkz n PRO 81 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dkz h SER 82 N -1.21 0.16 0.00 3.54 0.87 -2.02 -3.40 113.55 111.48 2dkz h SER 82 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dkz h SER 82 Cb 0.14 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2dkz h SER 82 CO 0.03 0.10 0.00 -1.20 -0.53 0.00 0.00 176.83 175.23 2dkz n SER 83 N -4.45 -1.26 0.00 6.23 7.64 -1.26 -5.31 113.62 115.20 2dkz n SER 83 Ca 0.06 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2dkz n SER 83 Cb 0.38 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64