#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 6.01 -0.41 1.61 0.01 -1.26 -4.97 113.70 114.69 2dkz s SER 2 Ca 0.00 -1.42 0.05 0.00 1.31 0.00 0.00 55.95 55.89 2dkz s SER 2 Cb 0.00 -2.13 0.19 0.00 0.21 0.00 0.00 66.02 64.29 2dkz s SER 2 CO 0.00 -0.63 0.41 -1.20 0.41 0.00 0.00 173.24 172.23 2dkz n SER 3 N 5.13 -0.47 -2.67 2.44 7.64 -1.26 -4.99 113.62 119.44 2dkz n SER 3 Ca -0.12 -2.49 -0.04 0.00 1.01 0.00 0.00 58.87 57.23 2dkz n SER 3 Cb 0.43 -0.45 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 4 N 2.45 -1.72 0.48 0.23 0.00 -1.26 -5.05 105.19 100.33 2dkz n GLY 4 Ca 0.27 1.11 -0.18 0.00 0.00 0.00 0.00 46.02 47.22 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 1.92 1.19 -2.40 1.61 7.64 -1.26 -4.65 113.62 117.67 2dkz n SER 5 Ca 0.05 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.85 2dkz n SER 5 Cb 0.68 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 63.40 2dkz n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dkz n SER 6 N -3.76 6.95 -3.11 6.43 3.41 -1.26 -4.92 113.62 117.37 2dkz n SER 6 Ca -0.32 -3.42 -0.17 0.00 -0.26 0.00 0.00 58.87 54.70 2dkz n SER 6 Cb 0.72 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 7 N 0.08 2.44 3.75 5.00 0.00 -1.26 -5.14 105.19 110.05 2dkz n GLY 7 Ca 0.48 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.04 4.41 0.48 1.61 0.04 -1.26 -5.00 135.00 132.25 2dkz s PRO 8 Ca 0.34 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 2dkz s PRO 8 Cb 0.00 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.30 2dkz s PRO 8 CO 0.24 -0.18 1.21 -0.46 0.04 0.00 0.00 177.00 177.85 2dkz s TRP 9 N -0.26 2.74 0.10 0.56 -0.00 -1.26 -5.05 118.94 115.77 2dkz s TRP 9 Ca 0.54 1.50 -0.09 0.00 -0.00 0.00 0.00 56.10 58.05 2dkz s TRP 9 Cb -0.36 -3.47 -0.00 0.00 -0.00 0.00 0.00 33.47 29.63 2dkz s TRP 9 CO 0.41 -1.82 0.21 -0.65 -0.00 0.00 0.00 176.95 175.10 2dkz s GLN 10 N -2.76 0.89 0.56 5.86 -0.21 -1.26 -5.10 119.66 117.65 2dkz s GLN 10 Ca 0.66 -0.97 -0.19 0.00 0.02 0.00 0.00 55.36 54.88 2dkz s GLN 10 Cb -0.31 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.01 2dkz s GLN 10 CO 0.37 -0.29 1.13 -1.25 -2.12 0.00 0.00 175.29 173.13 2dkz s PRO 11 N -3.87 3.26 0.67 2.91 0.04 -1.26 -5.05 135.00 131.70 2dkz s PRO 11 Ca 0.06 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2dkz s PRO 11 Cb 0.04 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.75 2dkz s PRO 11 CO -0.10 -0.92 0.59 -0.35 0.04 0.00 0.00 177.00 176.27 2dkz n PRO 12 N -1.50 -2.19 -0.02 0.56 -0.04 -1.26 -5.01 135.00 125.54 2dkz n PRO 12 Ca 0.11 -0.95 -0.22 0.00 -0.04 0.00 0.00 63.50 62.41 2dkz n PRO 12 Cb 0.51 -0.89 -0.13 0.00 -0.04 0.00 0.00 33.50 32.95 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 -2.41 0.29 -0.09 0.55 0.00 -2.01 -3.39 119.26 112.21 2dkz h ALA 13 Ca -0.22 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.42 2dkz h ALA 13 Cb 0.68 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2dkz h ALA 13 CO 0.15 0.97 -0.10 -0.44 0.00 0.00 0.00 179.25 179.82 2dkz h ASP 14 N -0.35 0.24 -1.84 0.00 3.32 -1.96 -3.47 116.42 112.36 2dkz h ASP 14 Ca -0.36 -0.50 -0.36 0.00 0.02 0.00 0.00 57.03 55.83 2dkz h ASP 14 Cb 1.74 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 41.16 2dkz h ASP 14 CO 0.00 0.70 -0.40 -0.11 -1.72 0.00 0.00 179.24 177.70 2dkz n LEU 15 N -4.65 -1.60 -1.32 1.55 0.00 -1.26 -4.88 117.00 104.84 2dkz n LEU 15 Ca -0.07 0.17 -0.09 0.00 0.00 0.00 0.00 56.01 56.02 2dkz n LEU 15 Cb 0.33 -2.55 0.13 0.00 0.00 0.00 0.00 43.42 41.33 2dkz n LEU 15 CO 0.37 -0.49 0.41 -1.20 0.00 0.00 0.00 177.39 176.48 2dkz n SER 16 N -1.18 3.33 -0.72 1.96 7.64 -1.26 -3.59 113.62 119.79 2dkz n SER 16 Ca -0.20 -3.82 -0.02 0.00 1.01 0.00 0.00 58.87 55.83 2dkz n SER 16 Cb 0.63 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.96 0.79 3.94 0.23 0.00 -1.26 -4.45 105.19 103.47 2dkz n GLY 17 Ca 0.33 -0.03 -0.25 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 4.19 0.59 0.99 1.43 -1.26 -4.97 118.68 119.64 2dkz s LEU 18 Ca 0.01 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2dkz s LEU 18 Cb 0.01 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.12 2dkz s LEU 18 CO -0.01 -0.11 0.86 -0.94 0.23 0.00 0.00 176.35 176.38 2dkz s SER 19 N -3.57 5.39 0.49 2.29 1.04 -1.26 -2.37 113.70 115.71 2dkz s SER 19 Ca 0.38 0.44 0.17 0.00 0.48 0.00 0.00 55.95 57.42 2dkz s SER 19 Cb -0.10 -1.37 1.21 0.00 0.10 0.00 0.00 66.02 65.86 2dkz s SER 19 CO 0.31 -1.14 2.06 0.40 0.98 0.00 0.00 173.24 175.84 2dkz h ILE 20 N -0.13 0.91 0.00 -1.02 2.04 -1.94 0.02 117.51 117.38 2dkz h ILE 20 Ca -0.45 -0.05 -0.15 0.00 1.00 0.00 0.00 64.86 65.22 2dkz h ILE 20 Cb 1.28 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2dkz h ILE 20 CO 0.58 0.03 -0.70 -0.08 0.00 0.00 0.00 178.15 177.98 2dkz h GLU 21 N 0.15 0.00 0.00 2.37 4.57 -1.93 -3.23 114.58 116.50 2dkz h GLU 21 Ca 0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.22 2dkz h GLU 21 Cb 0.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 2dkz h GLU 21 CO -0.02 0.68 -0.55 0.93 -1.18 0.00 0.00 179.01 178.88 2dkz h GLU 22 N 0.00 0.00 -0.39 1.92 4.39 -1.38 -3.12 114.58 116.00 2dkz h GLU 22 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 2dkz h GLU 22 Cb 1.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 2dkz h GLU 22 CO 0.09 0.55 -0.14 0.28 -1.16 0.00 0.00 179.01 178.62 2dkz h VAL 23 N 0.00 1.26 -0.57 3.13 2.07 -1.40 -2.23 116.25 118.52 2dkz h VAL 23 Ca -0.01 -1.19 0.16 0.00 0.82 0.00 0.00 66.70 66.49 2dkz h VAL 23 Cb 1.09 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2dkz h VAL 23 CO 0.07 0.40 0.42 0.28 0.02 0.00 0.00 177.57 178.76 2dkz h SER 24 N 0.64 0.00 0.47 0.57 0.02 -1.64 0.28 113.55 113.90 2dkz h SER 24 Ca 0.11 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.81 2dkz h SER 24 Cb 0.61 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2dkz h SER 24 CO 0.04 0.00 -1.72 0.29 -1.14 0.00 0.00 176.83 174.30 2dkz n LYS 25 N -4.29 0.64 -0.21 3.45 5.02 -1.01 -3.90 118.16 117.86 2dkz n LYS 25 Ca 0.11 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2dkz n LYS 25 Cb 0.66 -1.75 0.42 0.00 -0.02 0.00 0.00 35.03 34.34 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 0.55 1.10 4.39 0.02 -0.34 0.01 113.55 119.28 2dkz h SER 26 Ca -0.27 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.51 2dkz h SER 26 Cb 1.86 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 64.29 2dkz h SER 26 CO 0.06 0.30 -0.91 -0.07 -1.14 0.00 0.00 176.83 175.07 2dkz h LEU 27 N 0.59 0.00 -1.88 5.07 3.38 -1.66 -3.26 115.31 117.55 2dkz h LEU 27 Ca 0.39 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.55 2dkz h LEU 27 Cb 0.67 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2dkz h LEU 27 CO -0.15 0.88 0.52 0.03 0.09 0.00 0.00 178.44 179.82 2dkz h ARG 28 N 0.00 0.10 -0.52 1.13 2.47 -1.10 0.14 114.38 116.60 2dkz h ARG 28 Ca -0.02 -0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.79 2dkz h ARG 28 Cb 1.69 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.91 2dkz h ARG 28 CO 0.11 0.07 0.07 0.35 0.56 0.00 0.00 179.97 181.13 2dkz h PHE 29 N 0.11 0.10 0.00 3.04 3.57 -1.59 -2.34 116.94 119.83 2dkz h PHE 29 Ca 0.36 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.74 2dkz h PHE 29 Cb 1.26 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 2dkz h PHE 29 CO -0.00 -0.05 -1.38 0.44 -2.23 0.00 0.00 178.31 175.08 2dkz n ILE 30 N -5.16 1.14 -1.57 1.41 -5.35 -0.43 -5.05 119.36 104.34 2dkz n ILE 30 Ca 0.06 -0.68 -0.00 0.00 -0.27 0.00 0.00 62.75 61.86 2dkz n ILE 30 Cb 0.27 -0.70 -0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 1.38 -2.94 3.57 3.28 0.00 0.35 -5.11 105.19 105.73 2dkz n GLY 31 Ca -0.09 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 0.05 0.00 -4.76 0.99 4.77 -1.26 -5.03 117.00 111.77 2dkz n LEU 32 Ca -0.00 -2.76 -0.41 0.00 -0.03 0.00 0.00 56.01 52.81 2dkz n LEU 32 Cb 0.01 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2dkz n LEU 32 CO 0.03 -0.55 0.91 -0.44 -1.33 0.00 0.00 177.39 176.01 2dkz s SER 33 N -3.99 6.98 0.51 -1.43 0.01 -1.26 -4.90 113.70 109.63 2dkz s SER 33 Ca 0.25 2.48 0.26 0.00 1.31 0.00 0.00 55.95 60.25 2dkz s SER 33 Cb -0.02 -2.63 1.37 0.00 0.21 0.00 0.00 66.02 64.95 2dkz s SER 33 CO 0.16 -0.39 1.94 -0.33 0.41 0.00 0.00 173.24 175.03 2dkz h GLU 34 N 3.91 0.07 -0.11 12.44 4.39 -2.00 0.24 114.58 133.52 2dkz h GLU 34 Ca -0.47 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.08 2dkz h GLU 34 Cb 1.22 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2dkz h GLU 34 CO 0.68 0.05 -0.57 -0.44 -1.16 0.00 0.00 179.01 177.57 2dkz h ASP 35 N 0.07 0.37 0.06 1.42 5.19 -1.99 -2.76 116.42 118.78 2dkz h ASP 35 Ca 0.34 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2dkz h ASP 35 Cb 1.26 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2dkz h ASP 35 CO -0.03 0.86 -0.03 0.58 -3.12 0.00 0.00 179.24 177.51 2dkz h VAL 36 N 0.25 1.22 0.01 -1.35 2.07 -0.91 -1.75 116.25 115.79 2dkz h VAL 36 Ca -0.00 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2dkz h VAL 36 Cb 1.08 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2dkz h VAL 36 CO 0.09 0.24 -0.20 0.40 0.02 0.00 0.00 177.57 178.12 2dkz h ILE 37 N -0.51 0.52 0.00 4.57 2.04 -1.46 -1.16 117.51 121.51 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 0.45 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2dkz h ILE 37 CO 0.01 0.00 -0.06 -1.28 0.00 0.00 0.00 178.15 176.83 2dkz h SER 38 N -0.33 0.00 0.24 1.72 0.87 -1.56 -1.05 113.55 113.44 2dkz h SER 38 Ca 0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2dkz h SER 38 Cb 0.40 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2dkz h SER 38 CO -0.18 0.06 -0.11 -0.26 -0.53 0.00 0.00 176.83 175.81 2dkz h PHE 39 N 0.00 0.00 0.08 2.24 0.04 -0.26 0.31 116.94 119.35 2dkz h PHE 39 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 2dkz h PHE 39 Cb 0.12 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2dkz h PHE 39 CO 0.00 0.11 -1.42 0.74 -0.60 0.00 0.00 178.31 177.14 2dkz h PHE 40 N 0.00 0.32 0.00 -0.55 -1.00 -0.99 -3.14 116.94 111.58 2dkz h PHE 40 Ca -0.00 -0.23 -0.05 0.00 2.81 0.00 0.00 57.97 60.50 2dkz h PHE 40 Cb 0.26 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2dkz h PHE 40 CO 0.00 1.56 -0.24 0.28 -1.61 0.00 0.00 178.31 178.30 2dkz h VAL 41 N -0.44 1.04 0.00 -0.55 2.07 -1.30 0.24 116.25 117.32 2dkz h VAL 41 Ca -0.32 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 2dkz h VAL 41 Cb 1.66 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2dkz h VAL 41 CO -0.01 0.23 -0.56 0.00 0.02 0.00 0.00 177.57 177.25 2dkz h THR 42 N 0.00 0.82 -0.56 2.57 1.03 -1.08 -3.21 112.91 112.48 2dkz h THR 42 Ca -0.00 -2.18 -0.14 0.00 -0.01 0.00 0.00 66.41 64.08 2dkz h THR 42 Cb 0.45 2.39 -0.08 0.00 -1.07 0.00 0.00 68.15 69.84 2dkz h THR 42 CO 0.03 0.47 0.17 -0.62 -0.01 0.00 0.00 175.52 175.56 2dkz n GLU 43 N -3.20 3.35 -2.16 0.00 -0.58 -0.86 -4.87 120.64 112.31 2dkz n GLU 43 Ca 0.01 -2.42 -0.15 0.00 -0.42 0.00 0.00 57.16 54.19 2dkz n GLU 43 Cb 0.74 -2.04 -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 0.06 -1.86 -2.52 3.49 3.00 -1.14 -4.90 118.16 114.28 2dkz n LYS 44 Ca 0.30 0.77 -0.43 0.00 -0.00 0.00 0.00 58.31 58.95 2dkz n LYS 44 Cb 1.13 -5.30 -0.02 0.00 0.00 0.00 0.00 35.03 30.84 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 -2.62 4.42 0.20 3.15 -1.09 0.81 -4.98 121.20 121.10 2dkz s ILE 45 Ca 0.00 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 2dkz s ILE 45 Cb 0.00 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2dkz s ILE 45 CO 0.00 -0.06 0.00 -0.90 -1.23 0.00 0.00 174.94 172.75 2dkz n ASP 46 N 5.65 2.56 0.23 3.58 5.68 -1.26 -4.49 116.55 128.50 2dkz n ASP 46 Ca 0.11 -1.89 -0.15 0.00 -0.50 0.00 0.00 54.79 52.36 2dkz n ASP 46 Cb 0.46 0.14 -0.08 0.00 -1.14 0.00 0.00 41.12 40.51 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 0.49 -0.60 1.85 6.12 0.00 -1.65 0.57 103.07 109.84 2dkz h GLY 47 Ca -0.17 0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.43 2dkz h GLY 47 CO 0.28 -0.23 0.06 -0.57 0.00 0.00 0.00 176.54 176.08 2dkz h ASN 48 N -0.58 0.00 0.03 0.19 -1.24 -1.75 -1.72 115.58 110.51 2dkz h ASN 48 Ca -0.04 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.74 2dkz h ASN 48 Cb 0.48 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.55 2dkz h ASN 48 CO 0.04 0.00 -0.93 0.25 -1.29 0.00 0.00 177.43 175.51 2dkz h LEU 49 N 0.00 0.77 0.08 0.34 7.12 -1.72 -3.11 115.31 118.78 2dkz h LEU 49 Ca 0.03 -0.77 -0.00 0.00 0.13 0.00 0.00 57.88 57.27 2dkz h LEU 49 Cb 0.14 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 2dkz h LEU 49 CO -0.00 1.44 -0.04 0.25 -0.13 0.00 0.00 178.44 179.97 2dkz h LEU 50 N 0.18 -0.09 -2.26 2.25 5.85 -0.04 -0.32 115.31 120.87 2dkz h LEU 50 Ca -0.12 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2dkz h LEU 50 Cb 1.61 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2dkz h LEU 50 CO 0.18 -0.01 0.16 -0.37 -0.34 0.00 0.00 178.44 178.07 2dkz h VAL 51 N -0.17 0.49 0.00 1.05 -1.51 -1.50 -0.08 116.25 114.54 2dkz h VAL 51 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.21 2dkz h VAL 51 Cb 0.14 0.87 -0.04 0.00 -2.13 0.00 0.00 31.29 30.13 2dkz h VAL 51 CO 0.02 0.00 -1.31 1.56 -1.23 0.00 0.00 177.57 176.61 2dkz h GLN 52 N 0.00 0.00 -6.93 5.19 4.20 -1.31 -3.46 115.11 112.79 2dkz h GLN 52 Ca 0.07 -0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.24 2dkz h GLN 52 Cb 0.40 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.28 2dkz h GLN 52 CO -0.00 0.78 0.80 -0.51 -0.67 0.00 0.00 178.83 179.23 2dkz s LEU 53 N -6.44 4.32 0.43 1.46 1.43 -0.04 -5.02 118.68 114.81 2dkz s LEU 53 Ca -0.01 3.06 0.06 0.00 -1.03 0.00 0.00 54.13 56.20 2dkz s LEU 53 Cb 0.09 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2dkz s LEU 53 CO 0.82 -0.90 0.01 0.42 0.23 0.00 0.00 176.35 176.94 2dkz s THR 54 N -0.98 1.80 0.38 5.49 -4.23 -1.26 -4.99 115.64 111.85 2dkz s THR 54 Ca 0.54 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2dkz s THR 54 Cb -0.47 -2.81 0.13 0.00 1.34 0.00 0.00 72.50 70.69 2dkz s THR 54 CO 0.62 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.50 2dkz h GLU 55 N 1.68 0.10 -0.16 3.99 4.81 -1.95 0.31 114.58 123.36 2dkz h GLU 55 Ca -0.44 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2dkz h GLU 55 Cb 1.26 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2dkz h GLU 55 CO 0.79 0.36 -0.12 0.93 -0.73 0.00 0.00 179.01 180.24 2dkz h GLU 56 N 0.09 0.37 0.00 1.92 3.07 -1.99 -2.50 114.58 115.55 2dkz h GLU 56 Ca 0.01 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.57 2dkz h GLU 56 Cb 0.51 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 2dkz h GLU 56 CO 0.04 0.72 -0.60 0.82 -1.40 0.00 0.00 179.01 178.58 2dkz h ILE 57 N 0.02 1.32 0.00 3.13 2.04 -1.93 0.21 117.51 122.30 2dkz h ILE 57 Ca 0.03 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.69 2dkz h ILE 57 Cb 0.63 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2dkz h ILE 57 CO 0.03 0.59 -0.32 -0.07 0.00 0.00 0.00 178.15 178.38 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.89 0.78 115.31 120.02 2dkz h LEU 58 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2dkz h LEU 58 Cb 1.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2dkz h LEU 58 CO 0.08 0.32 -2.18 -0.24 0.09 0.00 0.00 178.44 176.52 2dkz n SER 59 N -3.64 0.30 -0.07 -0.43 2.88 -0.95 -0.12 113.62 111.60 2dkz n SER 59 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2dkz n SER 59 Cb 0.44 1.31 -0.08 0.00 -0.75 0.00 0.00 64.21 65.14 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 -0.53 -3.21 114.58 113.77 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 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2dkz h GLU 60 CO 0.02 0.59 0.00 -0.25 -1.16 0.00 0.00 179.01 178.21 2dkz n ASP 61 N -4.66 0.00 -0.32 1.42 8.00 0.25 -4.42 116.55 116.82 2dkz n ASP 61 Ca -0.08 0.23 0.03 0.00 0.71 0.00 0.00 54.79 55.67 2dkz n ASP 61 Cb 0.31 -0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.01 -5.92 1.24 0.04 -1.60 -3.46 116.94 108.24 2dkz h PHE 62 Ca 0.00 0.03 -0.40 0.00 2.80 0.00 0.00 57.97 60.40 2dkz h PHE 62 Cb 0.00 -0.32 0.10 0.00 2.20 0.00 0.00 35.95 37.93 2dkz h PHE 62 CO 0.00 0.47 -0.73 1.63 -0.60 0.00 0.00 178.31 179.08 2dkz n LYS 63 N -4.64 -6.96 -1.31 1.51 5.02 0.84 -4.95 118.16 107.67 2dkz n LYS 63 Ca 0.14 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.91 2dkz n LYS 63 Cb 0.23 -5.74 0.19 0.00 -0.02 0.00 0.00 35.03 29.69 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 -7.06 1.49 0.77 -0.35 1.43 -0.89 -4.96 118.68 109.10 2dkz s LEU 64 Ca 0.43 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 2dkz s LEU 64 Cb -0.20 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 43.21 2dkz s LEU 64 CO 0.76 -3.31 1.11 -0.55 0.23 0.00 0.00 176.35 174.59 2dkz s SER 65 N -3.91 4.42 0.46 2.29 0.15 -1.26 -4.74 113.70 111.10 2dkz s SER 65 Ca 0.68 1.93 0.14 0.00 0.70 0.00 0.00 55.95 59.39 2dkz s SER 65 Cb -0.13 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.72 2dkz s SER 65 CO 0.55 -2.10 2.04 0.07 1.20 0.00 0.00 173.24 175.01 2dkz h LYS 66 N -0.95 0.30 -0.04 5.44 2.10 -1.99 -0.29 116.57 121.15 2dkz h LYS 66 Ca -0.44 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 57.99 2dkz h LYS 66 Cb 1.24 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2dkz h LYS 66 CO 0.51 0.20 -0.75 1.25 -2.00 0.00 0.00 179.45 178.66 2dkz h LEU 67 N 0.31 0.72 0.35 7.07 7.12 -1.99 -3.04 115.31 125.86 2dkz h LEU 67 Ca 0.18 -0.72 -0.02 0.00 0.13 0.00 0.00 57.88 57.45 2dkz h LEU 67 Cb 0.31 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2dkz h LEU 67 CO -0.04 1.34 -0.17 1.56 -0.13 0.00 0.00 178.44 181.00 2dkz h GLN 68 N 0.17 -0.46 -0.59 1.25 4.20 -1.72 0.15 115.11 118.11 2dkz h GLN 68 Ca -0.08 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.83 2dkz h GLN 68 Cb 1.42 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 2dkz h GLN 68 CO 0.15 -0.20 0.47 0.28 -0.67 0.00 0.00 178.83 178.86 2dkz h VAL 69 N -0.65 0.57 0.00 -0.54 2.07 -1.20 0.32 116.25 116.82 2dkz h VAL 69 Ca -0.05 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.21 2dkz h VAL 69 Cb 0.47 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2dkz h VAL 69 CO 0.08 0.00 -1.43 0.50 0.02 0.00 0.00 177.57 176.74 2dkz h LYS 70 N 0.00 0.00 0.00 1.57 3.64 -1.35 -2.67 116.57 117.76 2dkz h LYS 70 Ca 0.28 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 2dkz h LYS 70 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 2dkz h LYS 70 CO -0.00 0.67 -0.61 -0.22 -2.27 0.00 0.00 179.45 177.02 2dkz h LYS 71 N 0.00 0.00 0.00 1.90 3.64 0.23 -2.73 116.57 119.61 2dkz h LYS 71 Ca -0.18 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 2dkz h LYS 71 Cb 1.91 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.72 2dkz h LYS 71 CO 0.10 0.61 -0.60 0.82 -2.27 0.00 0.00 179.45 178.11 2dkz h ILE 72 N 0.00 1.16 -0.50 2.00 2.04 -0.64 -3.30 117.51 118.26 2dkz h ILE 72 Ca -0.01 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 63.82 2dkz h ILE 72 Cb 1.36 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 39.80 2dkz h ILE 72 CO 0.08 0.39 0.23 0.24 0.00 0.00 0.00 178.15 179.09 2dkz h MET 73 N -1.00 0.44 -0.36 2.37 2.86 -1.60 -0.62 114.93 117.03 2dkz h MET 73 Ca -0.16 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2dkz h MET 73 Cb 1.04 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2dkz h MET 73 CO -0.10 0.29 0.27 -0.56 1.06 0.00 0.00 176.91 177.88 2dkz h GLN 74 N 0.46 0.00 0.02 1.72 3.07 -1.66 0.52 115.11 119.24 2dkz h GLN 74 Ca 0.23 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.77 2dkz h GLN 74 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 2dkz h GLN 74 CO -0.18 0.00 -0.92 0.35 0.09 0.00 0.00 178.83 178.16 2dkz h PHE 75 N 0.00 0.20 0.55 0.06 3.57 -1.21 0.15 116.94 120.26 2dkz h PHE 75 Ca 0.17 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2dkz h PHE 75 Cb 0.71 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.44 2dkz h PHE 75 CO 0.00 0.98 -0.26 0.82 -2.23 0.00 0.00 178.31 177.61 2dkz h ILE 76 N 0.06 0.12 -0.06 1.41 2.04 -0.34 -3.32 117.51 117.42 2dkz h ILE 76 Ca -0.04 -0.46 -0.22 0.00 1.00 0.00 0.00 64.86 65.14 2dkz h ILE 76 Cb 1.59 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2dkz h ILE 76 CO 0.13 0.02 -0.84 0.78 0.00 0.00 0.00 178.15 178.24 2dkz h ASN 77 N -1.15 0.66 -4.98 1.72 2.35 -1.53 -3.48 115.58 109.18 2dkz h ASN 77 Ca -0.07 -0.47 -0.35 0.00 -0.55 0.00 0.00 56.30 54.85 2dkz h ASN 77 Cb 0.60 -0.20 0.11 0.00 0.05 0.00 0.00 38.32 38.88 2dkz h ASN 77 CO 0.12 1.25 -0.58 0.61 -1.65 0.00 0.00 177.43 177.18 2dkz n GLY 78 N 0.77 -0.37 3.88 2.83 0.00 0.52 -5.00 105.19 107.82 2dkz n GLY 78 Ca -0.07 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.16 6.16 0.00 1.61 0.01 -1.26 -5.06 113.70 111.99 2dkz s SER 79 Ca 0.46 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2dkz s SER 79 Cb -0.20 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2dkz s SER 79 CO 0.57 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2dkz n GLY 80 N 0.35 1.77 0.20 3.44 0.00 -1.26 -5.01 105.19 104.67 2dkz n GLY 80 Ca -0.06 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 0.65 -5.57 1.61 0.13 -1.98 -3.49 132.00 123.35 2dkz h PRO 81 Ca 0.00 -0.34 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2dkz h PRO 81 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dkz h PRO 81 CO 0.00 0.94 -0.52 0.45 -0.23 0.00 0.00 178.00 178.65 2dkz n SER 82 N -4.31 -7.40 -3.29 1.44 2.88 -1.26 -4.09 113.62 97.59 2dkz n SER 82 Ca -0.04 0.21 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 2dkz n SER 82 Cb 0.45 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 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 -0.76 -6.90 0.00 -3.46 7.64 -1.26 -5.32 113.62 103.56 2dkz n SER 83 Ca 0.04 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2dkz n SER 83 Cb 0.51 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64