#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 -0.25 2.03 -2.24 -1.26 -4.92 114.28 107.64 1ozo n THR 2 Ca 0.00 -1.28 0.04 0.00 -2.27 0.00 0.00 64.05 60.54 1ozo n THR 2 Cb 0.00 0.86 0.16 0.00 -2.10 0.00 0.00 70.33 69.25 1ozo n THR 2 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ozo h GLU 3 N 0.00 0.45 0.00 -0.78 4.39 -2.05 0.28 114.58 116.87 1ozo h GLU 3 Ca -0.23 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 1ozo h GLU 3 Cb 0.96 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1ozo h GLU 3 CO 0.30 0.30 -1.95 1.28 -1.16 0.00 0.00 179.01 177.78 1ozo n LEU 4 N -4.98 0.00 0.02 1.33 7.99 -1.26 -0.81 117.00 119.29 1ozo n LEU 4 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1ozo n LEU 4 Cb 0.37 0.09 0.31 0.00 -0.11 0.00 0.00 43.42 44.07 1ozo n LEU 4 CO 0.20 0.09 0.93 -0.33 -1.51 0.00 0.00 177.39 176.76 1ozo h GLU 5 N 0.00 0.48 0.00 3.23 5.08 -1.93 -0.96 114.58 120.48 1ozo h GLU 5 Ca -0.09 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1ozo h GLU 5 Cb 1.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1ozo h GLU 5 CO 0.01 0.53 -0.44 0.00 -1.00 0.00 0.00 179.01 178.10 1ozo h ALA 6 N 1.52 0.77 -0.47 3.43 0.00 -0.49 0.21 119.26 124.23 1ozo h ALA 6 Ca 0.10 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ozo h ALA 6 Cb 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ozo h ALA 6 CO 0.01 0.40 0.19 0.00 0.00 0.00 0.00 179.25 179.85 1ozo h ALA 7 N 1.70 0.58 -0.64 0.00 0.00 -0.79 -0.97 119.26 119.13 1ozo h ALA 7 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ozo h ALA 7 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1ozo h ALA 7 CO 0.04 -0.19 0.42 0.52 0.00 0.00 0.00 179.25 180.04 1ozo h MET 8 N 0.38 0.83 -1.09 0.00 2.07 -0.84 0.90 114.93 117.18 1ozo h MET 8 Ca 0.22 -0.05 0.32 0.00 -2.07 0.00 0.00 59.70 58.11 1ozo h MET 8 Cb 0.19 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.69 1ozo h MET 8 CO -0.20 0.55 0.86 0.78 1.07 0.00 0.00 176.91 179.97 1ozo h GLY 9 N 0.85 0.00 1.73 8.32 0.00 0.48 0.28 103.07 114.73 1ozo h GLY 9 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.35 1ozo h GLY 9 CO -0.05 0.00 -1.12 -0.33 0.00 0.00 0.00 176.54 175.04 1ozo h MET 10 N 0.00 0.00 0.00 4.80 2.86 0.45 0.35 114.93 123.38 1ozo h MET 10 Ca 0.52 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.93 1ozo h MET 10 Cb 2.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.86 1ozo h MET 10 CO -0.01 0.80 -1.39 -0.84 1.06 0.00 0.00 176.91 176.54 1ozo h ILE 11 N 0.00 0.89 -0.77 -1.22 -2.65 -1.13 -1.68 117.51 110.96 1ozo h ILE 11 Ca -0.08 -2.57 -0.02 0.00 1.03 0.00 0.00 64.86 63.22 1ozo h ILE 11 Cb 1.77 2.38 -0.04 0.00 -2.05 0.00 0.00 36.82 38.89 1ozo h ILE 11 CO 0.11 0.51 0.39 0.40 0.03 0.00 0.00 178.15 179.59 1ozo h ILE 12 N 0.00 1.23 -0.05 0.16 1.08 -0.62 -3.26 117.51 116.05 1ozo h ILE 12 Ca -0.18 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1ozo h ILE 12 Cb 1.79 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1ozo h ILE 12 CO 0.08 0.27 -0.11 -0.78 -0.69 0.00 0.00 178.15 176.92 1ozo h ASP 13 N 1.08 -0.34 -1.32 1.72 3.58 0.08 0.36 116.42 121.59 1ozo h ASP 13 Ca 0.27 0.06 0.39 0.00 0.42 0.00 0.00 57.03 58.16 1ozo h ASP 13 Cb 0.07 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.19 1ozo h ASP 13 CO -0.04 -0.16 0.90 0.58 -2.88 0.00 0.00 179.24 177.65 1ozo h VAL 14 N -0.17 0.29 0.00 2.25 2.07 -1.36 0.47 116.25 119.80 1ozo h VAL 14 Ca 0.06 -0.04 -0.21 0.00 0.82 0.00 0.00 66.70 67.33 1ozo h VAL 14 Cb 0.25 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1ozo h VAL 14 CO -0.15 0.02 -1.30 0.15 0.02 0.00 0.00 177.57 176.31 1ozo h PHE 15 N 0.12 0.00 -0.09 1.57 3.04 -1.13 -3.15 116.94 117.29 1ozo h PHE 15 Ca 0.71 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.68 1ozo h PHE 15 Cb 2.42 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.93 1ozo h PHE 15 CO -0.00 0.79 0.08 1.03 -2.02 0.00 0.00 178.31 178.19 1ozo h SER 16 N 0.00 0.00 0.00 0.41 0.87 0.38 -1.57 113.55 113.64 1ozo h SER 16 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ozo h SER 16 Cb 1.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1ozo h SER 16 CO 0.08 0.00 -0.12 0.03 -0.53 0.00 0.00 176.83 176.29 1ozo h ARG 17 N 0.00 0.00 0.00 2.24 3.08 -0.76 -3.09 114.38 115.84 1ozo h ARG 17 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ozo h ARG 17 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ozo h ARG 17 CO -0.00 0.00 -0.07 1.88 -1.07 0.00 0.00 179.97 180.71 1ozo h TYR 18 N -0.82 0.00 0.00 3.04 -1.99 -1.69 -3.25 116.97 112.26 1ozo h TYR 18 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ozo h TYR 18 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1ozo h TYR 18 CO -0.05 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 176.98 1ozo n SER 19 N -4.21 0.00 0.00 3.88 3.41 -1.21 -4.89 113.62 110.60 1ozo n SER 19 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1ozo n SER 19 Cb 0.04 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1ozo n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ozo n GLY 20 N -0.52 0.46 0.00 5.00 0.00 -1.01 -0.75 105.19 108.36 1ozo n GLY 20 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ozo n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 21 N -0.17 0.00 -2.83 1.61 7.64 -0.62 -4.58 113.62 114.67 1ozo n SER 21 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ozo n SER 21 Cb 0.09 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1ozo n SER 21 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ozo n GLU 22 N 0.00 0.70 0.18 1.43 0.00 -1.20 -4.61 120.64 117.14 1ozo n GLU 22 Ca 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 57.16 55.28 1ozo n GLU 22 Cb 0.00 -1.45 0.64 0.00 0.00 0.00 0.00 31.44 30.64 1ozo n GLU 22 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1ozo h GLY 23 N 4.25 0.00 0.00 -1.84 0.00 -1.06 -3.46 103.07 100.97 1ozo h GLY 23 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1ozo h GLY 23 CO 0.28 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.26 1ozo n SER 24 N -2.41 0.00 0.47 0.19 7.64 -1.26 -3.61 113.62 114.63 1ozo n SER 24 Ca -0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1ozo n SER 24 Cb 0.12 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1ozo n SER 24 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1ozo h THR 25 N 0.00 0.14 -0.05 0.44 1.35 -1.96 -3.33 112.91 109.51 1ozo h THR 25 Ca 0.00 -0.00 -0.70 0.00 -0.55 0.00 0.00 66.41 65.15 1ozo h THR 25 Cb 0.00 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 66.53 1ozo h THR 25 CO 0.00 0.00 3.23 0.00 -0.25 0.00 0.00 175.52 178.50 1ozo n GLN 26 N -5.59 3.03 -1.44 4.72 6.02 -1.24 -4.87 117.38 118.01 1ozo n GLN 26 Ca -0.16 -2.56 -0.31 0.00 -0.01 0.00 0.00 57.00 53.97 1ozo n GLN 26 Cb 0.47 -3.19 0.08 0.00 1.02 0.00 0.00 30.24 28.62 1ozo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ozo s THR 27 N 2.91 3.47 -0.96 5.09 -4.23 -1.25 -3.89 115.64 116.78 1ozo s THR 27 Ca 0.51 0.48 -0.20 0.00 -1.18 0.00 0.00 61.69 61.29 1ozo s THR 27 Cb 0.15 -3.12 -0.11 0.00 1.34 0.00 0.00 72.50 70.76 1ozo s THR 27 CO -0.08 -0.62 1.98 0.18 -0.54 0.00 0.00 174.62 175.53 1ozo n LEU 28 N -3.39 4.58 -4.52 4.79 4.32 -0.10 -4.77 117.00 117.91 1ozo n LEU 28 Ca 0.08 -3.20 -0.39 0.00 -0.02 0.00 0.00 56.01 52.48 1ozo n LEU 28 Cb 0.54 -1.30 0.03 0.00 -1.62 0.00 0.00 43.42 41.08 1ozo n LEU 28 CO 0.55 -0.18 0.24 1.07 -1.22 0.00 0.00 177.39 177.85 1ozo n THR 29 N 5.99 2.45 -0.43 -5.08 5.66 -1.26 -3.29 114.28 118.32 1ozo n THR 29 Ca 0.50 -0.50 0.38 0.00 -3.05 0.00 0.00 64.05 61.37 1ozo n THR 29 Cb 0.41 -0.82 0.64 0.00 -1.55 0.00 0.00 70.33 69.01 1ozo n THR 29 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ozo n LYS 30 N -0.06 -0.04 0.09 1.09 4.81 -1.26 -0.27 118.16 122.52 1ozo n LYS 30 Ca 0.12 1.21 -0.03 0.00 -0.87 0.00 0.00 58.31 58.73 1ozo n LYS 30 Cb 0.44 -2.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 1ozo n LYS 30 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ozo h GLY 31 N 0.00 0.00 0.66 3.14 0.00 -1.96 -3.18 103.07 101.73 1ozo h GLY 31 Ca 0.84 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.86 1ozo h GLY 31 CO -0.48 0.00 -1.55 -2.09 0.00 0.00 0.00 176.54 172.42 1ozo h GLU 32 N 0.00 0.29 -0.98 4.80 4.81 -1.15 -3.38 114.58 118.97 1ozo h GLU 32 Ca -0.01 -0.49 0.30 0.00 -0.13 0.00 0.00 59.36 59.03 1ozo h GLU 32 Cb 1.61 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 31.03 1ozo h GLU 32 CO 0.11 1.23 0.51 1.25 -0.73 0.00 0.00 179.01 181.38 1ozo h LEU 33 N -0.16 0.44 -0.40 1.64 6.46 -0.74 -2.77 115.31 119.78 1ozo h LEU 33 Ca -0.33 0.19 -0.15 0.00 -0.12 0.00 0.00 57.88 57.47 1ozo h LEU 33 Cb 1.87 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.95 1ozo h LEU 33 CO 0.09 -0.11 -0.33 0.07 -0.62 0.00 0.00 178.44 177.54 1ozo h LYS 34 N 0.33 0.93 0.00 1.25 2.10 -1.72 -3.29 116.57 116.17 1ozo h LYS 34 Ca 0.69 -0.46 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1ozo h LYS 34 Cb 1.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 1ozo h LYS 34 CO -0.60 1.12 0.00 1.33 -2.00 0.00 0.00 179.45 179.30 1ozo n VAL 35 N -4.10 0.47 0.12 0.07 0.24 -1.04 -0.69 118.33 113.40 1ozo n VAL 35 Ca -0.02 0.05 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1ozo n VAL 35 Cb 0.51 -0.73 0.10 0.00 -1.47 0.00 0.00 33.84 32.26 1ozo n VAL 35 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ozo h LEU 36 N 0.00 0.00 0.00 1.34 5.85 -1.67 -3.42 115.31 117.42 1ozo h LEU 36 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ozo h LEU 36 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ozo h LEU 36 CO 0.00 0.70 -1.80 0.23 -0.34 0.00 0.00 178.44 177.23 1ozo n MET 37 N -3.66 0.65 0.20 1.25 2.81 0.13 -0.24 117.12 118.26 1ozo n MET 37 Ca -0.01 -0.12 0.06 0.00 -1.81 0.00 0.00 57.70 55.82 1ozo n MET 37 Cb 0.70 -1.59 0.52 0.00 -0.71 0.00 0.00 33.22 32.14 1ozo n MET 37 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1ozo h GLU 38 N 0.00 0.10 0.00 0.03 5.08 -1.80 -1.29 114.58 116.71 1ozo h GLU 38 Ca -0.03 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1ozo h GLU 38 Cb 1.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1ozo h GLU 38 CO 0.00 0.17 -1.41 1.63 -1.00 0.00 0.00 179.01 178.40 1ozo n LYS 39 N -4.41 0.54 -0.00 2.33 4.76 -1.15 -4.21 118.16 116.01 1ozo n LYS 39 Ca -0.02 0.36 0.02 0.00 -2.87 0.00 0.00 58.31 55.81 1ozo n LYS 39 Cb 0.17 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ozo n GLU 40 N -4.43 4.24 -2.06 1.97 1.02 0.67 -4.55 120.64 117.51 1ozo n GLU 40 Ca -0.28 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.72 1ozo n GLU 40 Cb 0.61 -0.80 0.05 0.00 -0.02 0.00 0.00 31.44 31.27 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ozo n LEU 41 N -1.24 3.55 -4.64 -4.62 4.32 -1.10 -4.98 117.00 108.29 1ozo n LEU 41 Ca 0.00 -4.03 -0.44 0.00 -0.02 0.00 0.00 56.01 51.52 1ozo n LEU 41 Cb 0.08 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 1ozo n LEU 41 CO 0.09 1.65 0.79 -0.81 -1.22 0.00 0.00 177.39 177.88 1ozo n PRO 42 N -0.66 1.72 0.00 3.23 -0.04 -0.50 -1.83 135.00 136.92 1ozo n PRO 42 Ca 0.29 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1ozo n PRO 42 Cb 0.90 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 1.38 2.91 0.27 0.55 0.00 -1.26 -4.80 105.19 104.23 1ozo n GLY 43 Ca 0.09 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.00 -1.68 -1.25 116.94 114.62 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ozo h PHE 44 CO 0.00 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.98 1ozo n LEU 45 N -2.85 0.00 0.25 1.54 4.77 -1.26 -2.70 117.00 116.76 1ozo n LEU 45 Ca -0.01 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.14 1ozo n LEU 45 Cb 0.14 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.09 1ozo n LEU 45 CO 0.20 0.00 1.01 1.56 -1.33 0.00 0.00 177.39 178.83 1ozo h GLN 46 N 0.00 0.00 0.00 3.23 4.20 -1.61 -3.13 115.11 117.80 1ozo h GLN 46 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1ozo h GLN 46 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ozo h GLN 46 CO 0.00 0.00 -1.10 0.45 -0.67 0.00 0.00 178.83 177.51 1ozo n SER 47 N -2.74 1.74 -0.76 1.46 2.88 -1.13 -5.04 113.62 110.03 1ozo n SER 47 Ca -0.01 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1ozo n SER 47 Cb 0.12 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 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 1.80 1.00 0.77 0.46 0.00 -1.10 -4.02 105.19 104.10 1ozo n GLY 48 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ozo n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ozo n LYS 49 N -1.09 0.00 -0.01 1.61 0.00 -1.21 -4.85 118.16 112.61 1ozo n LYS 49 Ca -0.10 0.26 0.03 0.00 0.00 0.00 0.00 58.31 58.50 1ozo n LYS 49 Cb 0.53 -0.51 -0.07 0.00 0.00 0.00 0.00 35.03 34.97 1ozo n LYS 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ozo n ASP 50 N 0.00 2.84 0.00 3.14 5.68 -1.26 -4.97 116.55 121.99 1ozo n ASP 50 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ozo n ASP 50 Cb 0.00 1.31 0.00 0.00 -1.14 0.00 0.00 41.12 41.29 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ozo n LYS 51 N -1.91 0.00 0.00 0.11 -0.00 -1.26 -5.06 118.16 110.04 1ozo n LYS 51 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ozo n LYS 51 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.37 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 0.00 0.00 -3.09 -5.58 8.00 -1.26 -4.86 116.55 109.76 1ozo n ASP 52 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1ozo n ASP 52 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 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 -3.00 -0.65 0.00 2.24 0.00 -1.26 -1.50 120.51 116.34 1ozo n ALA 53 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1ozo n ALA 53 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ozo n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ozo n VAL 54 N -2.83 0.00 -0.10 0.00 0.31 -1.26 -3.29 118.33 111.15 1ozo n VAL 54 Ca 0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.34 1ozo n VAL 54 Cb 0.31 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.22 1ozo n VAL 54 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ozo h ASP 55 N 0.00 -1.09 0.00 4.52 1.82 -1.91 -0.86 116.42 118.90 1ozo h ASP 55 Ca 0.00 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1ozo h ASP 55 Cb 0.00 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1ozo h ASP 55 CO 0.00 -0.33 0.00 0.29 -1.61 0.00 0.00 179.24 177.59 1ozo n LYS 56 N -5.41 0.84 0.00 0.28 4.76 -0.56 0.10 118.16 118.16 1ozo n LYS 56 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ozo n LYS 56 Cb 0.34 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ozo n LEU 57 N -0.82 0.30 -0.33 -0.35 7.99 -0.84 -4.31 117.00 118.63 1ozo n LEU 57 Ca 0.13 0.46 -0.09 0.00 -0.01 0.00 0.00 56.01 56.51 1ozo n LEU 57 Cb 0.06 -0.45 -0.08 0.00 -0.11 0.00 0.00 43.42 42.84 1ozo n LEU 57 CO 0.10 -0.45 0.40 -0.11 -1.51 0.00 0.00 177.39 175.82 1ozo n LEU 58 N -1.85 -0.83 0.15 2.23 0.00 -0.39 -1.31 117.00 115.01 1ozo n LEU 58 Ca 0.00 1.44 0.19 0.00 0.00 0.00 0.00 56.01 57.64 1ozo n LEU 58 Cb 0.00 -0.21 0.76 0.00 0.00 0.00 0.00 43.42 43.98 1ozo n LEU 58 CO 0.00 -1.16 1.17 0.11 0.00 0.00 0.00 177.39 177.51 1ozo h LYS 59 N 0.00 0.00 0.08 1.96 1.79 -0.59 0.20 116.57 120.01 1ozo h LYS 59 Ca 0.12 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.34 1ozo h LYS 59 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1ozo h LYS 59 CO -0.73 0.00 -1.36 -0.44 -1.08 0.00 0.00 179.45 175.84 1ozo h ASP 60 N 0.00 0.25 0.20 0.86 5.19 -1.39 -3.40 116.42 118.13 1ozo h ASP 60 Ca 0.15 -0.78 -0.24 0.00 -0.62 0.00 0.00 57.03 55.54 1ozo h ASP 60 Cb 0.95 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.39 1ozo h ASP 60 CO -0.00 1.58 -0.96 0.17 -3.12 0.00 0.00 179.24 176.90 1ozo h LEU 61 N -0.49 0.68 -0.35 1.55 -0.00 -1.16 -3.30 115.31 112.24 1ozo h LEU 61 Ca -0.31 -0.54 0.13 0.00 -0.00 0.00 0.00 57.88 57.16 1ozo h LEU 61 Cb 1.62 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 42.02 1ozo h LEU 61 CO -0.02 1.34 0.21 -0.67 -0.00 0.00 0.00 178.44 179.30 1ozo n ASP 62 N -3.79 0.09 0.15 0.17 -0.08 0.61 -1.03 116.55 112.66 1ozo n ASP 62 Ca -0.08 0.46 0.17 0.00 -1.51 0.00 0.00 54.79 53.83 1ozo n ASP 62 Cb 0.84 -0.22 0.77 0.00 2.34 0.00 0.00 41.12 44.85 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 0.54 2.03 0.00 -1.67 0.00 -1.78 -1.72 119.26 116.66 1ozo h ALA 63 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ozo h ALA 63 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ozo h ALA 63 CO -0.19 -0.40 -0.32 -1.71 0.00 0.00 0.00 179.25 176.63 1ozo n ASN 64 N -4.00 0.37 0.01 0.00 4.05 -0.19 -4.85 115.26 110.65 1ozo n ASN 64 Ca 0.04 0.08 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1ozo n ASN 64 Cb 0.41 -0.06 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1ozo n ASN 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ozo n GLY 65 N 1.47 -1.20 2.10 8.20 0.00 -0.84 -4.87 105.19 110.06 1ozo n GLY 65 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.54 -1.91 0.00 1.61 2.03 -0.71 -5.04 116.55 109.99 1ozo n ASP 66 Ca 0.00 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1ozo n ASP 66 Cb 0.00 1.93 0.00 0.00 -0.72 0.00 0.00 41.12 42.33 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 -1.87 -1.67 0.00 -1.25 -4.77 120.51 107.78 1ozo n ALA 67 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1ozo n ALA 67 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ozo n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ozo s GLN 68 N 0.00 2.19 0.01 0.00 -0.21 -1.26 -4.49 119.66 115.89 1ozo s GLN 68 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1ozo s GLN 68 Cb 0.00 -4.97 -0.07 0.00 1.00 0.00 0.00 33.01 28.97 1ozo s GLN 68 CO 0.00 -3.82 1.65 0.08 -2.12 0.00 0.00 175.29 171.08 1ozo s VAL 69 N 11.91 3.34 0.76 1.09 1.01 -1.21 -4.80 120.40 132.50 1ozo s VAL 69 Ca 0.78 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 1ozo s VAL 69 Cb -0.09 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 33.06 1ozo s VAL 69 CO 0.03 -0.03 1.04 -0.67 0.00 0.00 0.00 175.10 175.48 1ozo n ASP 70 N 6.37 1.15 -0.01 3.32 2.03 -1.26 -0.93 116.55 127.23 1ozo n ASP 70 Ca 0.16 -2.03 -0.04 0.00 0.52 0.00 0.00 54.79 53.40 1ozo n ASP 70 Cb 0.42 -0.70 0.17 0.00 -0.72 0.00 0.00 41.12 40.29 1ozo n ASP 70 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1ozo h PHE 71 N -0.79 0.61 0.57 -0.67 -5.15 -1.97 -1.42 116.94 108.13 1ozo h PHE 71 Ca -0.34 -0.13 -0.03 0.00 -0.20 0.00 0.00 57.97 57.27 1ozo h PHE 71 Cb 1.21 -0.15 0.01 0.00 0.22 0.00 0.00 35.95 37.24 1ozo h PHE 71 CO 0.00 0.75 -0.28 1.03 -2.00 0.00 0.00 178.31 177.81 1ozo h SER 72 N 0.48 -0.65 -0.35 -0.68 0.87 -1.96 0.15 113.55 111.40 1ozo h SER 72 Ca 0.07 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1ozo h SER 72 Cb 0.69 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 1ozo h SER 72 CO 0.05 -0.46 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.37 1ozo h GLU 73 N -0.78 -0.13 0.18 2.24 5.08 -1.77 -0.66 114.58 118.74 1ozo h GLU 73 Ca -0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ozo h GLU 73 Cb 0.59 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ozo h GLU 73 CO 0.13 -0.09 -0.11 0.35 -1.00 0.00 0.00 179.01 178.29 1ozo h PHE 74 N -0.13 -0.30 -0.77 4.33 3.57 -1.26 -2.94 116.94 119.43 1ozo h PHE 74 Ca 0.18 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1ozo h PHE 74 Cb 0.40 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1ozo h PHE 74 CO -0.40 -0.17 0.50 0.97 -2.23 0.00 0.00 178.31 176.99 1ozo h ILE 75 N -0.27 1.03 -0.19 1.41 6.09 -0.36 0.34 117.51 125.56 1ozo h ILE 75 Ca -0.02 -0.28 0.01 0.00 -1.37 0.00 0.00 64.86 63.19 1ozo h ILE 75 Cb 0.22 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 37.64 1ozo h ILE 75 CO 0.02 0.15 0.11 0.58 -3.07 0.00 0.00 178.15 175.94 1ozo h VAL 76 N 0.82 1.02 0.00 2.19 2.07 -1.23 -2.68 116.25 118.44 1ozo h VAL 76 Ca 0.33 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1ozo h VAL 76 Cb 0.25 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ozo h VAL 76 CO -0.11 0.04 -0.08 -0.26 0.02 0.00 0.00 177.57 177.17 1ozo h PHE 77 N 0.22 0.00 -0.57 1.57 -1.00 -0.98 -3.12 116.94 113.07 1ozo h PHE 77 Ca 0.07 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.91 1ozo h PHE 77 Cb -0.01 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 1ozo h PHE 77 CO -0.08 0.06 0.28 0.28 -1.61 0.00 0.00 178.31 177.24 1ozo h VAL 78 N 0.00 0.93 0.00 -0.55 2.07 -0.19 0.26 116.25 118.77 1ozo h VAL 78 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ozo h VAL 78 Cb 1.04 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ozo h VAL 78 CO 0.01 0.10 0.04 0.00 0.02 0.00 0.00 177.57 177.73 1ozo h ALA 79 N 1.32 1.03 0.15 1.67 0.00 -1.41 -0.15 119.26 121.87 1ozo h ALA 79 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1ozo h ALA 79 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ozo h ALA 79 CO -0.19 -0.03 -1.72 0.00 0.00 0.00 0.00 179.25 177.31 1ozo h ALA 80 N 1.91 0.25 -0.52 0.00 0.00 -0.87 -3.36 119.26 116.66 1ozo h ALA 80 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 54.91 53.77 1ozo h ALA 80 Cb 0.08 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1ozo h ALA 80 CO 0.00 1.12 0.29 0.82 0.00 0.00 0.00 179.25 181.48 1ozo h ILE 81 N 0.09 1.00 -0.84 0.00 1.08 0.11 0.95 117.51 119.90 1ozo h ILE 81 Ca -0.32 -0.19 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 1ozo h ILE 81 Cb 2.07 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 36.12 1ozo h ILE 81 CO 0.16 0.10 0.47 0.00 -0.69 0.00 0.00 178.15 178.19 1ozo h THR 82 N 0.56 0.85 -0.04 -0.27 1.03 -1.43 0.60 112.91 114.21 1ozo h THR 82 Ca 0.22 -0.25 -0.11 0.00 -0.01 0.00 0.00 66.41 66.26 1ozo h THR 82 Cb 0.09 0.04 -0.01 0.00 -1.07 0.00 0.00 68.15 67.20 1ozo h THR 82 CO -0.13 0.14 -0.49 0.28 -0.01 0.00 0.00 175.52 175.30 1ozo h SER 83 N 0.74 0.11 1.19 0.00 0.02 -1.40 -2.89 113.55 111.31 1ozo h SER 83 Ca 0.42 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1ozo h SER 83 Cb 0.46 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1ozo h SER 83 CO -0.29 0.58 -0.28 0.00 -1.14 0.00 0.00 176.83 175.70 1ozo h ALA 84 N 1.43 0.92 -0.28 3.77 0.00 0.29 -3.37 119.26 122.02 1ozo h ALA 84 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ozo h ALA 84 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ozo h ALA 84 CO 0.07 0.35 0.60 0.66 0.00 0.00 0.00 179.25 180.93 1ozo h SER 85 N 0.00 0.00 0.00 0.00 4.64 -0.71 -2.87 113.55 114.61 1ozo h SER 85 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ozo h SER 85 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1ozo h SER 85 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1ozo n HIS 86 N -3.16 0.00 0.13 4.77 1.44 -1.24 -2.67 115.22 114.50 1ozo n HIS 86 Ca 0.05 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.95 1ozo n HIS 86 Cb 0.72 -0.00 0.71 0.00 0.12 0.00 0.00 29.99 31.53 1ozo n HIS 86 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1ozo h LYS 87 N 0.00 0.00 0.09 -1.40 1.79 -1.81 -3.09 116.57 112.15 1ozo h LYS 87 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 1ozo h LYS 87 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ozo h LYS 87 CO 0.00 0.00 -1.85 1.88 -1.08 0.00 0.00 179.45 178.40 1ozo h TYR 88 N 0.00 0.34 0.00 -1.35 -1.99 -1.83 -3.48 116.97 108.67 1ozo h TYR 88 Ca 0.17 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1ozo h TYR 88 Cb 1.18 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1ozo h TYR 88 CO 0.00 1.50 0.00 1.97 -0.00 0.00 0.00 178.16 181.63 1ozo n PHE 89 N -3.35 0.00 0.10 4.88 1.16 -1.17 -4.60 117.46 114.48 1ozo n PHE 89 Ca -0.25 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.50 1ozo n PHE 89 Cb 1.05 -0.46 0.72 0.00 -1.61 0.00 0.00 39.48 39.18 1ozo n PHE 89 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 1ozo h GLU 90 N 0.00 0.00 0.00 3.97 9.09 -1.92 -3.11 114.58 122.60 1ozo h GLU 90 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ozo h GLU 90 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ozo h GLU 90 CO 0.00 0.00 -0.00 0.36 0.05 0.00 0.00 179.01 179.42 1ozo n LYS 91 N -4.22 1.24 -1.33 1.06 0.00 -1.26 -4.96 118.16 108.68 1ozo n LYS 91 Ca 0.06 -0.92 -0.11 0.00 -0.00 0.00 0.00 58.31 57.33 1ozo n LYS 91 Cb 0.46 -0.71 -0.05 0.00 -0.00 0.00 0.00 35.03 34.73 1ozo n LYS 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ozo n THR 92 N -0.21 0.00 0.00 0.58 -2.24 -1.18 -3.75 114.28 107.48 1ozo n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ozo n THR 92 Cb 0.40 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozo n GLY 93 N -0.69 0.55 0.00 3.38 0.00 -1.26 -2.96 105.19 104.22 1ozo n GLY 93 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 0.00 0.99 7.94 -1.25 -4.88 117.00 119.80 1ozo n LEU 94 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1ozo n LEU 94 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 1ozo n LEU 94 CO 0.00 0.00 0.36 1.17 -1.11 0.00 0.00 177.39 177.81