#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozo n THR 2 N 0.00 0.00 0.13 1.12 -2.24 -1.26 -4.80 114.28 107.23 1ozo n THR 2 Ca 0.00 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1ozo n THR 2 Cb 0.00 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1ozo n THR 2 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ozo h GLU 3 N 0.00 -0.46 0.20 -0.78 4.81 -2.04 0.18 114.58 116.48 1ozo h GLU 3 Ca -0.00 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ozo h GLU 3 Cb 0.01 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1ozo h GLU 3 CO 0.00 -0.31 -0.53 1.25 -0.73 0.00 0.00 179.01 178.70 1ozo h LEU 4 N -0.48 -1.56 0.00 1.64 6.46 -1.98 -1.49 115.31 117.89 1ozo h LEU 4 Ca 0.02 0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1ozo h LEU 4 Cb 0.48 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1ozo h LEU 4 CO -0.11 -0.58 -0.34 -0.33 -0.62 0.00 0.00 178.44 176.46 1ozo h GLU 5 N -0.81 0.00 -0.02 1.25 5.08 -1.90 -0.58 114.58 117.59 1ozo h GLU 5 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ozo h GLU 5 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ozo h GLU 5 CO -0.24 0.17 -0.04 0.00 -1.00 0.00 0.00 179.01 177.90 1ozo h ALA 6 N 1.81 0.04 -0.91 3.43 0.00 -0.66 0.86 119.26 123.83 1ozo h ALA 6 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ozo h ALA 6 Cb 1.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ozo h ALA 6 CO 0.02 -0.15 0.60 0.00 0.00 0.00 0.00 179.25 179.73 1ozo h ALA 7 N 0.46 1.15 0.00 0.00 0.00 -1.18 -0.63 119.26 119.06 1ozo h ALA 7 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ozo h ALA 7 Cb 0.61 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ozo h ALA 7 CO 0.01 0.55 -0.41 0.52 0.00 0.00 0.00 179.25 179.92 1ozo h MET 8 N 1.23 0.00 -1.20 0.00 2.07 -1.20 -1.72 114.93 114.11 1ozo h MET 8 Ca 0.33 0.00 0.34 0.00 -2.07 0.00 0.00 59.70 58.31 1ozo h MET 8 Cb -0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 31.60 29.51 1ozo h MET 8 CO -0.07 0.41 0.82 0.78 1.07 0.00 0.00 176.91 179.92 1ozo h GLY 9 N 2.70 0.60 2.00 8.32 0.00 0.47 -1.03 103.07 116.13 1ozo h GLY 9 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1ozo h GLY 9 CO 0.05 -0.10 0.00 -0.33 0.00 0.00 0.00 176.54 176.16 1ozo h MET 10 N 0.15 0.00 0.00 4.80 2.86 -0.20 0.31 114.93 122.85 1ozo h MET 10 Ca 0.63 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 58.07 1ozo h MET 10 Cb 2.14 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.76 1ozo h MET 10 CO -0.16 0.00 -2.19 0.44 1.06 0.00 0.00 176.91 176.05 1ozo n ILE 11 N -2.71 0.74 0.12 -1.22 -0.00 -0.58 -1.15 119.36 114.56 1ozo n ILE 11 Ca 0.03 -0.68 0.03 0.00 -0.00 0.00 0.00 62.75 62.12 1ozo n ILE 11 Cb 0.37 -0.25 0.40 0.00 -0.00 0.00 0.00 39.64 40.16 1ozo n ILE 11 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ozo h ILE 12 N 0.00 1.17 -0.22 7.28 2.04 -1.25 -1.70 117.51 124.83 1ozo h ILE 12 Ca -0.29 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 1ozo h ILE 12 Cb 1.66 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1ozo h ILE 12 CO 0.02 0.24 -0.28 -0.78 0.00 0.00 0.00 178.15 177.34 1ozo h ASP 13 N 0.22 0.44 0.16 1.72 3.58 -0.40 -0.39 116.42 121.75 1ozo h ASP 13 Ca 0.05 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1ozo h ASP 13 Cb 0.36 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1ozo h ASP 13 CO 0.02 0.71 -0.21 0.58 -2.88 0.00 0.00 179.24 177.46 1ozo h VAL 14 N 0.38 0.54 -0.75 2.25 2.07 -0.56 0.28 116.25 120.45 1ozo h VAL 14 Ca 0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.74 1ozo h VAL 14 Cb 0.69 0.54 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1ozo h VAL 14 CO 0.05 0.00 0.01 0.15 0.02 0.00 0.00 177.57 177.80 1ozo h PHE 15 N -0.42 -0.04 0.00 1.57 3.57 -1.29 -1.38 116.94 118.95 1ozo h PHE 15 Ca 0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1ozo h PHE 15 Cb 0.42 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1ozo h PHE 15 CO -0.18 -0.23 0.00 0.77 -2.23 0.00 0.00 178.31 176.44 1ozo h SER 16 N 0.11 0.00 -0.26 0.41 0.02 0.68 0.38 113.55 114.89 1ozo h SER 16 Ca 0.41 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1ozo h SER 16 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1ozo h SER 16 CO -0.66 0.00 -0.09 0.03 -1.14 0.00 0.00 176.83 174.97 1ozo h ARG 17 N 0.00 0.51 0.00 3.45 2.47 0.61 -2.98 114.38 118.44 1ozo h ARG 17 Ca 0.00 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1ozo h ARG 17 Cb 0.36 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1ozo h ARG 17 CO 0.00 0.75 -0.98 0.66 0.56 0.00 0.00 179.97 180.96 1ozo n TYR 18 N -4.51 0.00 0.10 3.04 4.01 -0.17 -3.50 117.16 116.13 1ozo n TYR 18 Ca -0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.78 1ozo n TYR 18 Cb 0.33 -0.12 0.17 0.00 -0.31 0.00 0.00 39.34 39.40 1ozo n TYR 18 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ozo n SER 19 N -1.55 2.98 0.00 7.72 2.88 0.12 -4.87 113.62 120.90 1ozo n SER 19 Ca -0.00 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1ozo n SER 19 Cb 0.21 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ozo n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozo n GLY 20 N 0.97 0.34 0.67 0.46 0.00 -1.14 -2.36 105.19 104.14 1ozo n GLY 20 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ozo n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 21 N -0.29 0.00 -4.12 1.61 2.88 -1.17 -4.89 113.62 107.63 1ozo n SER 21 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ozo n SER 21 Cb 0.15 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.49 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ozo s GLU 22 N 0.00 0.70 0.00 -1.46 8.01 -0.99 -4.75 118.70 120.21 1ozo s GLU 22 Ca 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 54.97 54.12 1ozo s GLU 22 Cb 0.00 -0.62 0.00 0.00 -4.31 0.00 0.00 34.13 29.20 1ozo s GLU 22 CO 0.00 0.13 0.00 0.41 0.01 0.00 0.00 175.26 175.81 1ozo n GLY 23 N 1.40 0.19 0.00 -1.39 0.00 -1.14 -5.00 105.19 99.26 1ozo n GLY 23 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ozo n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 24 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.03 113.62 111.82 1ozo n SER 24 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1ozo n SER 24 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1ozo n SER 24 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ozo n THR 25 N 0.00 0.00 -2.47 2.46 5.66 -1.26 -4.77 114.28 113.89 1ozo n THR 25 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ozo n THR 25 Cb 0.32 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.11 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ozo n GLN 26 N 0.00 3.84 -3.75 1.09 10.64 -1.26 -4.66 117.38 123.28 1ozo n GLN 26 Ca 0.00 -4.36 -0.12 0.00 -1.83 0.00 0.00 57.00 50.68 1ozo n GLN 26 Cb 0.00 -2.32 -0.12 0.00 -0.86 0.00 0.00 30.24 26.94 1ozo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1ozo s THR 27 N -4.81 -0.02 -0.62 -0.39 -4.23 -1.26 -3.92 115.64 100.39 1ozo s THR 27 Ca 0.47 0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.77 1ozo s THR 27 Cb 0.32 -0.43 -0.06 0.00 1.34 0.00 0.00 72.50 73.68 1ozo s THR 27 CO -0.22 0.02 2.15 -0.76 -0.54 0.00 0.00 174.62 175.27 1ozo s LEU 28 N 0.64 3.27 0.86 4.79 1.02 0.50 -4.67 118.68 125.08 1ozo s LEU 28 Ca -0.04 0.46 -0.12 0.00 0.02 0.00 0.00 54.13 54.46 1ozo s LEU 28 Cb -0.05 -2.52 0.10 0.00 0.02 0.00 0.00 46.19 43.74 1ozo s LEU 28 CO -0.04 -2.80 1.10 0.28 0.02 0.00 0.00 176.35 174.91 1ozo s THR 29 N 11.10 2.79 0.54 5.49 -1.32 -1.26 -1.48 115.64 131.50 1ozo s THR 29 Ca 0.82 0.26 0.22 0.00 -1.21 0.00 0.00 61.69 61.78 1ozo s THR 29 Cb -0.14 -2.87 0.33 0.00 -1.51 0.00 0.00 72.50 68.32 1ozo s THR 29 CO 0.19 -0.34 2.10 0.50 -2.21 0.00 0.00 174.62 174.86 1ozo h LYS 30 N -1.35 0.00 0.00 7.08 3.64 -1.95 0.89 116.57 124.88 1ozo h LYS 30 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1ozo h LYS 30 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1ozo h LYS 30 CO 0.57 0.00 -0.53 0.78 -2.27 0.00 0.00 179.45 178.00 1ozo h GLY 31 N 0.00 0.00 0.47 5.01 0.00 -1.99 -3.36 103.07 103.21 1ozo h GLY 31 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.06 1ozo h GLY 31 CO -0.00 0.00 -2.10 -2.21 0.00 0.00 0.00 176.54 172.23 1ozo n GLU 32 N -2.43 0.70 -0.14 4.80 2.13 0.03 -4.25 120.64 121.49 1ozo n GLU 32 Ca 0.03 0.22 0.13 0.00 0.66 0.00 0.00 57.16 58.20 1ozo n GLU 32 Cb 0.48 -1.66 0.49 0.00 0.27 0.00 0.00 31.44 31.02 1ozo n GLU 32 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ozo h LEU 33 N 0.04 0.41 -0.06 4.31 6.46 -1.09 -3.32 115.31 122.05 1ozo h LEU 33 Ca -0.45 0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 57.15 1ozo h LEU 33 Cb 2.02 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 41.89 1ozo h LEU 33 CO 0.04 0.23 -0.64 0.07 -0.62 0.00 0.00 178.44 177.51 1ozo h LYS 34 N 0.44 0.54 0.00 1.25 2.10 -1.74 -3.20 116.57 115.95 1ozo h LYS 34 Ca 0.33 -0.50 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 1ozo h LYS 34 Cb 0.70 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1ozo h LYS 34 CO -0.10 1.13 0.00 0.28 -2.00 0.00 0.00 179.45 178.76 1ozo h VAL 35 N 0.12 0.00 0.00 0.07 2.07 -1.81 0.92 116.25 117.62 1ozo h VAL 35 Ca -0.06 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 1ozo h VAL 35 Cb 1.31 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1ozo h VAL 35 CO 0.13 0.00 -0.53 0.25 0.02 0.00 0.00 177.57 177.44 1ozo h LEU 36 N 0.00 0.00 0.00 2.57 5.85 -1.70 -3.38 115.31 118.65 1ozo h LEU 36 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ozo h LEU 36 Cb 0.44 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1ozo h LEU 36 CO 0.00 0.53 -1.55 0.23 -0.34 0.00 0.00 178.44 177.31 1ozo n MET 37 N -3.71 0.63 0.00 1.25 2.81 0.31 -0.31 117.12 118.10 1ozo n MET 37 Ca -0.01 -0.04 0.04 0.00 -1.81 0.00 0.00 57.70 55.88 1ozo n MET 37 Cb 0.57 -1.67 0.20 0.00 -0.71 0.00 0.00 33.22 31.61 1ozo n MET 37 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1ozo n GLU 38 N -2.48 0.07 0.12 0.03 1.02 -1.15 -2.29 120.64 115.97 1ozo n GLU 38 Ca -0.03 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1ozo n GLU 38 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1ozo n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ozo n LYS 39 N -1.37 0.00 -0.00 3.49 3.00 -1.23 -4.73 118.16 117.32 1ozo n LYS 39 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.43 1ozo n LYS 39 Cb 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 35.03 34.96 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ozo n GLU 40 N -3.38 0.89 -2.49 1.64 -0.58 0.57 -4.61 120.64 112.68 1ozo n GLU 40 Ca 0.00 -0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.59 1ozo n GLU 40 Cb 0.00 -1.38 0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ozo n LEU 41 N -1.55 3.09 -4.62 -4.62 4.32 -1.18 -5.00 117.00 107.45 1ozo n LEU 41 Ca 0.02 -3.96 -0.42 0.00 -0.02 0.00 0.00 56.01 51.63 1ozo n LEU 41 Cb 0.32 0.08 0.01 0.00 -1.62 0.00 0.00 43.42 42.20 1ozo n LEU 41 CO 0.38 1.61 0.62 -0.81 -1.22 0.00 0.00 177.39 177.97 1ozo n PRO 42 N -0.56 1.43 0.00 3.23 -0.04 -0.97 -2.88 135.00 135.21 1ozo n PRO 42 Ca 0.24 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1ozo n PRO 42 Cb 0.85 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ozo n GLY 43 N 1.15 2.85 0.21 0.55 0.00 -1.26 -4.79 105.19 103.89 1ozo n GLY 43 Ca 0.09 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ozo n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ozo h PHE 44 N 0.00 0.00 0.00 1.61 0.04 -1.87 -2.85 116.94 113.86 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ozo h PHE 44 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 1ozo n LEU 45 N -2.64 0.00 0.04 1.54 7.99 -1.26 -3.15 117.00 119.52 1ozo n LEU 45 Ca 0.01 0.00 0.22 0.00 -0.01 0.00 0.00 56.01 56.22 1ozo n LEU 45 Cb 0.22 0.00 0.71 0.00 -0.11 0.00 0.00 43.42 44.23 1ozo n LEU 45 CO 0.21 0.00 1.20 0.06 -1.51 0.00 0.00 177.39 177.35 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 3.07 -1.90 -3.20 115.11 116.31 1ozo h GLN 46 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ozo h GLN 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ozo h GLN 46 CO 0.00 0.00 -0.48 0.45 0.09 0.00 0.00 178.83 178.89 1ozo n SER 47 N -3.67 1.41 0.00 0.06 2.88 -1.19 -5.05 113.62 108.05 1ozo n SER 47 Ca 0.10 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ozo n SER 47 Cb 0.75 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1ozo n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ozo n GLY 48 N 2.40 2.08 0.00 0.46 0.00 -1.21 -4.73 105.19 104.18 1ozo n GLY 48 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ozo n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ozo n LYS 49 N -2.00 0.00 -0.93 1.61 0.00 -1.26 -4.69 118.16 110.89 1ozo n LYS 49 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1ozo n LYS 49 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 1ozo n LYS 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 50 N 0.00 -1.27 -0.67 -5.58 8.00 -1.26 -2.18 116.55 113.59 1ozo n ASP 50 Ca 0.00 0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 1ozo n ASP 50 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 39.66 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ozo n LYS 51 N -0.96 -1.56 0.00 -1.24 -0.00 -1.26 -4.66 118.16 108.48 1ozo n LYS 51 Ca -0.04 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1ozo n LYS 51 Cb 0.15 -4.11 0.00 0.00 -0.00 0.00 0.00 35.03 31.06 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 52 N 0.68 0.34 0.01 -5.58 8.00 -1.20 -4.64 116.55 114.16 1ozo n ASP 52 Ca -0.04 -1.11 -0.00 0.00 0.71 0.00 0.00 54.79 54.35 1ozo n ASP 52 Cb 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo n ALA 53 N -0.05 2.76 -0.20 2.24 0.00 -0.93 -4.21 120.51 120.11 1ozo n ALA 53 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1ozo n ALA 53 Cb 0.31 0.07 0.45 0.00 0.00 0.00 0.00 19.45 20.27 1ozo n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ozo h VAL 54 N -0.03 0.83 0.00 0.00 2.07 -1.80 0.11 116.25 117.44 1ozo h VAL 54 Ca 0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ozo h VAL 54 Cb 0.03 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1ozo h VAL 54 CO 0.00 0.10 -0.01 -0.78 0.02 0.00 0.00 177.57 176.90 1ozo h ASP 55 N 0.54 0.00 0.03 0.57 3.58 -1.82 -2.70 116.42 116.62 1ozo h ASP 55 Ca 0.39 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.46 1ozo h ASP 55 Cb 0.75 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.75 1ozo h ASP 55 CO -0.15 0.01 -2.35 0.29 -2.88 0.00 0.00 179.24 174.15 1ozo n LYS 56 N -3.10 0.68 0.00 0.28 4.01 -0.06 -0.13 118.16 119.84 1ozo n LYS 56 Ca -0.00 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1ozo n LYS 56 Cb 0.25 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ozo n LEU 57 N -3.32 0.00 -0.01 -0.35 7.99 -0.70 -1.11 117.00 119.50 1ozo n LEU 57 Ca -0.42 0.15 -0.01 0.00 -0.01 0.00 0.00 56.01 55.72 1ozo n LEU 57 Cb 1.01 -0.15 -0.00 0.00 -0.11 0.00 0.00 43.42 44.16 1ozo n LEU 57 CO 0.30 -0.15 -0.06 -0.11 -1.51 0.00 0.00 177.39 175.86 1ozo n LEU 58 N -1.15 0.19 0.03 2.23 0.00 -1.02 -4.78 117.00 112.51 1ozo n LEU 58 Ca 0.00 0.06 0.22 0.00 0.00 0.00 0.00 56.01 56.29 1ozo n LEU 58 Cb 0.00 -0.53 0.73 0.00 0.00 0.00 0.00 43.42 43.62 1ozo n LEU 58 CO 0.00 -0.48 1.20 0.11 0.00 0.00 0.00 177.39 178.22 1ozo h LYS 59 N -0.10 0.00 -0.05 1.96 1.79 -0.01 -0.40 116.57 119.76 1ozo h LYS 59 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1ozo h LYS 59 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1ozo h LYS 59 CO 0.00 0.00 -0.76 -0.44 -1.08 0.00 0.00 179.45 177.17 1ozo h ASP 60 N 0.00 0.41 0.08 0.86 5.19 -1.39 -3.37 116.42 118.20 1ozo h ASP 60 Ca 0.25 -0.28 -0.37 0.00 -0.62 0.00 0.00 57.03 56.01 1ozo h ASP 60 Cb 1.26 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.61 1ozo h ASP 60 CO -0.00 1.02 -2.20 0.00 -3.12 0.00 0.00 179.24 174.94 1ozo n LEU 61 N -3.80 2.69 -0.18 1.55 -0.00 -0.41 -4.36 117.00 112.50 1ozo n LEU 61 Ca -0.04 0.06 0.16 0.00 -0.00 0.00 0.00 56.01 56.20 1ozo n LEU 61 Cb 0.72 -0.97 0.29 0.00 -0.00 0.00 0.00 43.42 43.46 1ozo n LEU 61 CO 0.48 0.87 0.52 -0.67 -0.00 0.00 0.00 177.39 178.59 1ozo n ASP 62 N -3.37 0.13 0.27 1.45 -0.08 -0.30 -0.81 116.55 113.86 1ozo n ASP 62 Ca -0.37 0.71 0.14 0.00 -1.51 0.00 0.00 54.79 53.75 1ozo n ASP 62 Cb 1.03 -0.35 0.63 0.00 2.34 0.00 0.00 41.12 44.77 1ozo n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ozo h ALA 63 N 0.84 1.66 0.00 -1.67 0.00 -1.76 -1.06 119.26 117.27 1ozo h ALA 63 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ozo h ALA 63 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ozo h ALA 63 CO -0.29 -0.58 -0.74 -0.97 0.00 0.00 0.00 179.25 176.67 1ozo h ASN 64 N 0.00 0.00 0.00 0.00 -0.00 -1.31 -3.46 115.58 110.81 1ozo h ASN 64 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1ozo h ASN 64 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 1ozo h ASN 64 CO -0.00 0.03 0.00 0.61 -0.00 0.00 0.00 177.43 178.07 1ozo n GLY 65 N 1.22 -0.61 2.08 1.57 0.00 -0.45 -4.96 105.19 104.04 1ozo n GLY 65 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ozo n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ozo n ASP 66 N -2.26 -1.58 0.00 1.61 2.03 -0.91 -5.04 116.55 110.40 1ozo n ASP 66 Ca 0.00 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1ozo n ASP 66 Cb 0.00 1.63 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 1ozo n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ozo n ALA 67 N -3.16 0.00 -1.55 -1.67 0.00 -1.26 -4.83 120.51 108.04 1ozo n ALA 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ozo n ALA 67 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ozo n ALA 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ozo n GLN 68 N 0.00 0.87 -2.68 0.00 6.02 -1.26 -4.69 117.38 115.63 1ozo n GLN 68 Ca 0.00 -0.28 -0.43 0.00 -0.01 0.00 0.00 57.00 56.28 1ozo n GLN 68 Cb 0.00 -3.50 -0.03 0.00 1.02 0.00 0.00 30.24 27.73 1ozo n GLN 68 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ozo s VAL 69 N 13.01 4.21 0.95 5.09 1.01 -0.55 -4.80 120.40 139.32 1ozo s VAL 69 Ca 0.97 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 1ozo s VAL 69 Cb -0.18 -4.62 0.16 0.00 0.00 0.00 0.00 36.38 31.75 1ozo s VAL 69 CO 0.21 -1.15 1.10 -0.62 0.00 0.00 0.00 175.10 174.63 1ozo s ASP 70 N 2.74 2.76 0.48 3.32 2.15 -1.26 -0.37 116.67 126.49 1ozo s ASP 70 Ca 0.40 1.86 0.18 0.00 0.43 0.00 0.00 52.55 55.41 1ozo s ASP 70 Cb -0.09 -2.43 1.18 0.00 -0.30 0.00 0.00 42.92 41.28 1ozo s ASP 70 CO 0.25 -3.15 2.02 2.19 -0.17 0.00 0.00 175.17 176.32 1ozo h PHE 71 N -1.90 0.22 0.18 -5.34 -5.15 -1.97 -0.10 116.94 102.88 1ozo h PHE 71 Ca -0.49 0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.28 1ozo h PHE 71 Cb 1.28 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1ozo h PHE 71 CO 0.44 0.11 -0.08 0.77 -2.00 0.00 0.00 178.31 177.55 1ozo h SER 72 N 0.21 -0.20 -0.28 -0.68 0.02 -1.94 0.14 113.55 110.82 1ozo h SER 72 Ca 0.21 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ozo h SER 72 Cb 0.57 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1ozo h SER 72 CO -0.04 -0.02 0.17 -0.33 -1.14 0.00 0.00 176.83 175.47 1ozo h GLU 73 N -0.37 0.37 0.40 3.45 5.08 -1.73 -2.62 114.58 119.17 1ozo h GLU 73 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1ozo h GLU 73 Cb 0.29 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ozo h GLU 73 CO 0.04 0.28 -0.26 0.35 -1.00 0.00 0.00 179.01 178.42 1ozo h PHE 74 N 0.36 -0.70 -0.98 4.33 3.57 -0.98 -2.71 116.94 119.83 1ozo h PHE 74 Ca 0.10 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.71 1ozo h PHE 74 Cb -0.00 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 1ozo h PHE 74 CO -0.05 -0.38 0.61 0.97 -2.23 0.00 0.00 178.31 177.23 1ozo h ILE 75 N -0.62 0.92 -0.18 1.41 6.09 -0.71 0.41 117.51 124.83 1ozo h ILE 75 Ca -0.05 -0.33 0.02 0.00 -1.37 0.00 0.00 64.86 63.12 1ozo h ILE 75 Cb 0.50 -0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.64 1ozo h ILE 75 CO 0.05 0.18 0.04 0.58 -3.07 0.00 0.00 178.15 175.93 1ozo h VAL 76 N 0.97 0.93 0.00 2.19 2.07 -1.50 -1.96 116.25 118.96 1ozo h VAL 76 Ca 0.48 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.96 1ozo h VAL 76 Cb 0.46 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ozo h VAL 76 CO -0.26 0.02 -0.68 -0.26 0.02 0.00 0.00 177.57 176.42 1ozo h PHE 77 N 0.12 0.00 -0.43 1.57 -1.00 -0.96 -2.86 116.94 113.38 1ozo h PHE 77 Ca 0.08 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.94 1ozo h PHE 77 Cb 0.06 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.56 1ozo h PHE 77 CO -0.13 0.00 0.02 0.28 -1.61 0.00 0.00 178.31 176.88 1ozo h VAL 78 N 0.00 0.69 0.00 -0.55 2.07 -0.16 0.15 116.25 118.46 1ozo h VAL 78 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ozo h VAL 78 Cb 0.89 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ozo h VAL 78 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1ozo n ALA 79 N -2.56 1.53 -0.04 1.67 0.00 -0.75 -1.27 120.51 119.08 1ozo n ALA 79 Ca 0.04 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 1ozo n ALA 79 Cb 0.22 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1ozo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozo h ALA 80 N 2.31 0.00 -0.65 0.00 0.00 -0.81 -3.40 119.26 116.71 1ozo h ALA 80 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 54.91 54.64 1ozo h ALA 80 Cb 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 1ozo h ALA 80 CO 0.00 -0.08 -0.11 0.82 0.00 0.00 0.00 179.25 179.88 1ozo h ILE 81 N -0.75 0.38 -1.02 0.00 1.08 0.60 0.33 117.51 118.13 1ozo h ILE 81 Ca -0.00 -0.01 0.25 0.00 -0.39 0.00 0.00 64.86 64.71 1ozo h ILE 81 Cb 0.82 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 34.82 1ozo h ILE 81 CO 0.01 0.01 0.66 0.00 -0.69 0.00 0.00 178.15 178.13 1ozo h THR 82 N 0.03 0.55 0.07 -0.27 1.03 -1.71 0.23 112.91 112.85 1ozo h THR 82 Ca 0.32 -0.14 -0.37 0.00 -0.01 0.00 0.00 66.41 66.21 1ozo h THR 82 Cb 0.51 0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 67.65 1ozo h THR 82 CO -0.64 0.08 -2.18 -0.24 -0.01 0.00 0.00 175.52 172.53 1ozo n SER 83 N -4.62 1.97 0.06 0.00 2.88 -0.10 -4.32 113.62 109.49 1ozo n SER 83 Ca 0.24 0.08 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1ozo n SER 83 Cb 0.84 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 63.61 1ozo n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ozo h ALA 84 N 0.11 -0.09 -0.15 -1.46 0.00 0.03 -3.25 119.26 114.45 1ozo h ALA 84 Ca -0.48 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.39 1ozo h ALA 84 Cb 1.99 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1ozo h ALA 84 CO 0.02 -0.48 -0.12 0.66 0.00 0.00 0.00 179.25 179.33 1ozo h SER 85 N -0.22 -0.37 0.21 0.00 4.64 -0.78 -2.85 113.55 114.17 1ozo h SER 85 Ca -0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ozo h SER 85 Cb 0.19 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ozo h SER 85 CO 0.01 -0.15 0.00 0.00 -0.87 0.00 0.00 176.83 175.82 1ozo n HIS 86 N -5.26 0.00 0.50 4.77 1.44 -1.23 -1.61 115.22 113.83 1ozo n HIS 86 Ca -0.03 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.78 1ozo n HIS 86 Cb 0.18 -0.43 0.41 0.00 0.12 0.00 0.00 29.99 30.27 1ozo n HIS 86 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1ozo n LYS 87 N -1.43 0.10 -0.07 -1.40 4.76 -1.08 -4.23 118.16 114.81 1ozo n LYS 87 Ca 0.02 0.31 -0.14 0.00 -2.87 0.00 0.00 58.31 55.63 1ozo n LYS 87 Cb 0.07 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.45 1ozo n LYS 87 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1ozo n TYR 88 N -1.86 0.46 -1.14 2.13 4.19 -0.63 -5.05 117.16 115.26 1ozo n TYR 88 Ca 0.03 0.13 0.14 0.00 3.31 0.00 0.00 57.90 61.52 1ozo n TYR 88 Cb 0.22 -1.07 -0.06 0.00 0.49 0.00 0.00 39.34 38.92 1ozo n TYR 88 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1ozo n PHE 89 N -3.10 -3.00 0.00 2.98 3.01 -1.26 -4.86 117.46 111.23 1ozo n PHE 89 Ca -0.33 1.60 0.00 0.00 1.01 0.00 0.00 57.45 59.73 1ozo n PHE 89 Cb 1.07 -2.73 0.00 0.00 -0.01 0.00 0.00 39.48 37.81 1ozo n PHE 89 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1ozo n GLU 90 N -3.91 0.00 0.00 -1.08 2.13 -1.26 -4.53 120.64 111.99 1ozo n GLU 90 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1ozo n GLU 90 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 1ozo n GLU 90 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ozo n LYS 91 N 0.00 0.00 0.04 5.31 4.01 -1.26 -2.94 118.16 123.32 1ozo n LYS 91 Ca 0.00 0.21 0.10 0.00 -0.51 0.00 0.00 58.31 58.11 1ozo n LYS 91 Cb 0.00 -1.16 0.41 0.00 -0.51 0.00 0.00 35.03 33.77 1ozo n LYS 91 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1ozo n THR 92 N -1.05 0.77 0.03 -0.18 5.66 -1.26 -0.98 114.28 117.27 1ozo n THR 92 Ca 0.00 0.16 0.02 0.00 -3.05 0.00 0.00 64.05 61.19 1ozo n THR 92 Cb 0.00 -0.94 0.11 0.00 -1.55 0.00 0.00 70.33 67.96 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ozo n GLY 93 N 0.33 -0.57 0.00 1.09 0.00 -1.22 -2.70 105.19 102.11 1ozo n GLY 93 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ozo n GLY 93 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ozo n LEU 94 N -1.65 0.11 0.00 0.99 7.94 -0.15 -4.94 117.00 119.30 1ozo n LEU 94 Ca -0.00 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1ozo n LEU 94 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1ozo n LEU 94 CO 0.02 0.03 0.00 2.29 -1.11 0.00 0.00 177.39 178.62