#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza s SER 2 N 0.00 0.65 0.03 1.61 0.15 -1.26 -4.53 113.70 110.34 1zza s SER 2 Ca 0.00 -1.37 0.22 0.00 0.70 0.00 0.00 55.95 55.50 1zza s SER 2 Cb 0.00 0.68 -0.21 0.00 -1.71 0.00 0.00 66.02 64.78 1zza s SER 2 CO 0.00 -1.33 0.70 1.15 1.20 0.00 0.00 173.24 174.96 1zza n MET 3 N -0.53 0.53 0.00 5.44 -0.00 -1.26 -4.93 117.12 116.37 1zza n MET 3 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 57.70 57.60 1zza n MET 3 Cb 0.61 -1.58 0.00 0.00 -0.00 0.00 0.00 33.22 32.25 1zza n MET 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1zza n SER 4 N -2.21 0.00 -3.33 3.17 3.41 -1.26 -5.16 113.62 108.24 1zza n SER 4 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 1zza n SER 4 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zza n ILE 5 N -0.62 0.00 0.00 -1.33 -6.64 -1.26 -4.81 119.36 104.69 1zza n ILE 5 Ca 0.00 -0.93 0.00 0.00 -1.77 0.00 0.00 62.75 60.05 1zza n ILE 5 Cb 0.00 -0.59 0.00 0.00 -1.44 0.00 0.00 39.64 37.61 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1zza n MET 6 N -1.39 0.00 0.00 6.28 2.81 -1.26 -4.78 117.12 118.78 1zza n MET 6 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1zza n MET 6 Cb 0.28 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 1zza n MET 6 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zza n ASP 7 N 2.86 0.00 -0.60 7.83 2.03 -1.26 -2.91 116.55 124.49 1zza n ASP 7 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1zza n ASP 7 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 1zza n ASP 7 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1zza n HIS 8 N 0.00 0.00 -3.70 -0.67 8.25 -1.26 0.21 115.22 118.05 1zza n HIS 8 Ca 0.00 -0.61 -0.28 0.00 -0.26 0.00 0.00 57.72 56.57 1zza n HIS 8 Cb 0.00 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.00 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zza n SER 9 N -0.47 -5.34 -4.55 0.41 2.88 -1.15 -4.80 113.62 100.61 1zza n SER 9 Ca 0.09 -0.92 -0.37 0.00 -1.33 0.00 0.00 58.87 56.34 1zza n SER 9 Cb 0.77 -2.82 -0.03 0.00 -0.75 0.00 0.00 64.21 61.38 1zza n SER 9 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1zza s PRO 10 N -5.50 2.68 0.11 -1.46 0.04 -1.26 -4.86 135.00 124.75 1zza s PRO 10 Ca 0.27 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.44 1zza s PRO 10 Cb -0.11 -4.50 -0.08 0.00 0.04 0.00 0.00 34.50 29.85 1zza s PRO 10 CO 0.88 -2.78 1.70 1.79 0.04 0.00 0.00 177.00 178.63 1zza h THR 11 N 6.87 0.78 -0.24 1.26 1.35 -1.98 0.66 112.91 121.61 1zza h THR 11 Ca -0.19 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.69 1zza h THR 11 Cb 1.12 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1zza h THR 11 CO 1.23 0.00 0.10 0.71 -0.25 0.00 0.00 175.52 177.31 1zza h THR 12 N -0.11 0.96 0.37 6.82 1.35 -1.98 0.23 112.91 120.55 1zza h THR 12 Ca 0.05 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1zza h THR 12 Cb 0.18 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1zza h THR 12 CO -0.12 0.04 -0.19 1.23 -0.25 0.00 0.00 175.52 176.23 1zza h GLY 13 N 0.23 -0.54 0.56 5.82 0.00 -1.84 0.34 103.07 107.63 1zza h GLY 13 Ca 0.10 0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.76 1zza h GLY 13 CO -0.09 -0.20 0.60 -2.08 0.00 0.00 0.00 176.54 174.77 1zza h VAL 14 N -0.52 0.92 -0.13 4.60 2.07 0.58 0.09 116.25 123.87 1zza h VAL 14 Ca -0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1zza h VAL 14 Cb 0.41 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1zza h VAL 14 CO 0.07 0.16 -0.06 0.58 0.02 0.00 0.00 177.57 178.35 1zza h VAL 15 N 0.90 1.31 -0.80 2.57 2.07 0.14 -1.11 116.25 121.33 1zza h VAL 15 Ca 0.46 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1zza h VAL 15 Cb 0.51 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1zza h VAL 15 CO -0.22 0.31 0.52 0.71 0.02 0.00 0.00 177.57 178.91 1zza h THR 16 N -0.08 1.21 0.01 2.57 1.35 0.57 -0.53 112.91 118.01 1zza h THR 16 Ca 0.03 -0.39 -0.25 0.00 -0.55 0.00 0.00 66.41 65.25 1zza h THR 16 Cb 0.51 0.03 0.01 0.00 -1.73 0.00 0.00 68.15 66.98 1zza h THR 16 CO 0.02 0.20 -1.01 -0.37 -0.25 0.00 0.00 175.52 174.11 1zza h VAL 17 N 1.09 1.35 -0.30 6.82 -1.51 -0.95 -1.63 116.25 121.11 1zza h VAL 17 Ca 0.29 -2.38 -0.17 0.00 -1.23 0.00 0.00 66.70 63.22 1zza h VAL 17 Cb -0.12 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1zza h VAL 17 CO -0.06 0.72 -0.47 0.16 -1.23 0.00 0.00 177.57 176.68 1zza h ILE 18 N 0.30 1.28 -0.44 7.19 3.07 -0.87 0.33 117.51 128.37 1zza h ILE 18 Ca -0.11 -1.66 -0.15 0.00 1.55 0.00 0.00 64.86 64.49 1zza h ILE 18 Cb 1.66 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 39.75 1zza h ILE 18 CO 0.19 0.54 -0.30 -0.37 -1.05 0.00 0.00 178.15 177.16 1zza h VAL 19 N 0.65 1.27 -0.17 0.16 -1.51 -1.16 0.41 116.25 115.89 1zza h VAL 19 Ca 0.03 -1.47 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 1zza h VAL 19 Cb 1.06 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1zza h VAL 19 CO 0.11 0.50 0.01 0.40 -1.23 0.00 0.00 177.57 177.35 1zza h ILE 20 N 0.82 1.25 -0.17 7.19 1.08 -1.17 0.13 117.51 126.64 1zza h ILE 20 Ca 0.09 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1zza h ILE 20 Cb 0.89 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1zza h ILE 20 CO 0.08 0.25 0.08 -0.07 -0.69 0.00 0.00 178.15 177.79 1zza h LEU 21 N 0.05 0.11 -0.69 1.44 3.38 -0.22 0.29 115.31 119.67 1zza h LEU 21 Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1zza h LEU 21 Cb 0.36 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1zza h LEU 21 CO 0.01 0.09 0.39 0.40 0.09 0.00 0.00 178.44 179.41 1zza h ILE 22 N 0.17 0.97 -0.31 1.22 2.04 -0.02 0.20 117.51 121.78 1zza h ILE 22 Ca 0.07 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1zza h ILE 22 Cb 0.02 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1zza h ILE 22 CO -0.06 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.34 1zza h ALA 23 N 1.36 0.41 -0.35 1.87 0.00 0.01 0.31 119.26 122.87 1zza h ALA 23 Ca 0.31 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zza h ALA 23 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1zza h ALA 23 CO -0.19 0.02 0.22 0.82 0.00 0.00 0.00 179.25 180.12 1zza h ILE 24 N 0.35 1.07 -0.52 0.00 2.04 0.32 0.36 117.51 121.14 1zza h ILE 24 Ca 0.10 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1zza h ILE 24 Cb 0.21 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1zza h ILE 24 CO -0.01 0.08 0.24 0.00 0.00 0.00 0.00 178.15 178.46 1zza h ALA 25 N 1.14 0.67 -0.48 1.87 0.00 -0.37 0.28 119.26 122.37 1zza h ALA 25 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 25 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1zza h ALA 25 CO -0.04 0.25 0.22 0.00 0.00 0.00 0.00 179.25 179.67 1zza h ALA 26 N 1.08 0.62 -0.35 0.00 0.00 0.11 0.22 119.26 120.94 1zza h ALA 26 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 26 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1zza h ALA 26 CO -0.02 0.20 0.17 1.25 0.00 0.00 0.00 179.25 180.85 1zza h LEU 27 N 0.63 0.46 -0.45 0.00 6.46 0.07 0.34 115.31 122.82 1zza h LEU 27 Ca 0.16 -0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1zza h LEU 27 Cb 0.14 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1zza h LEU 27 CO -0.02 0.45 0.25 1.23 -0.62 0.00 0.00 178.44 179.73 1zza h GLY 28 N 0.44 0.62 0.97 3.75 0.00 -0.05 0.11 103.07 108.91 1zza h GLY 28 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1zza h GLY 28 CO -0.02 0.15 0.19 0.00 0.00 0.00 0.00 176.54 176.87 1zza h ALA 29 N 1.21 0.66 -0.90 3.60 0.00 -0.13 0.16 119.26 123.86 1zza h ALA 29 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 29 Cb 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 29 CO -0.10 0.28 0.59 -0.07 0.00 0.00 0.00 179.25 179.95 1zza h LEU 30 N 0.68 1.01 -0.16 0.00 3.38 0.32 0.32 115.31 120.88 1zza h LEU 30 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1zza h LEU 30 Cb 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1zza h LEU 30 CO -0.01 0.72 -0.18 0.40 0.09 0.00 0.00 178.44 179.46 1zza h ILE 31 N 1.19 1.35 0.02 1.22 2.04 -0.38 0.23 117.51 123.18 1zza h ILE 31 Ca 0.34 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1zza h ILE 31 Cb -0.08 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1zza h ILE 31 CO -0.09 0.40 -0.01 0.25 0.00 0.00 0.00 178.15 178.70 1zza h LEU 32 N 0.03 -0.03 -0.65 1.44 6.46 -0.29 -1.52 115.31 120.76 1zza h LEU 32 Ca 0.02 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1zza h LEU 32 Cb 0.73 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1zza h LEU 32 CO 0.04 0.02 0.29 1.23 -0.62 0.00 0.00 178.44 179.40 1zza h GLY 33 N -0.07 1.02 0.63 3.75 0.00 -0.39 0.33 103.07 108.33 1zza h GLY 33 Ca -0.00 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1zza h GLY 33 CO 0.01 0.50 0.12 0.00 0.00 0.00 0.00 176.54 177.17 1zza n TRP 35 N -5.03 -0.21 0.00 0.00 -0.00 -0.60 -5.08 117.44 106.52 1zza n TRP 35 Ca 0.02 -0.59 0.00 0.00 -0.00 0.00 0.00 57.50 56.93 1zza n TRP 35 Cb 0.15 1.08 0.00 0.00 -0.00 0.00 0.00 31.31 32.54 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zza n TYR 37 N 0.00 -3.60 1.19 0.00 9.36 -1.26 -3.12 117.16 119.73 1zza n TYR 37 Ca 0.00 1.02 0.13 0.00 3.32 0.00 0.00 57.90 62.36 1zza n TYR 37 Cb 0.00 2.48 0.31 0.00 -0.63 0.00 0.00 39.34 41.50 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1zza n LEU 38 N -3.28 1.12 -3.40 2.98 -0.00 -1.26 -5.00 117.00 108.17 1zza n LEU 38 Ca 0.00 -0.32 -0.13 0.00 -0.00 0.00 0.00 56.01 55.56 1zza n LEU 38 Cb 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 43.42 43.32 1zza n LEU 38 CO 0.00 0.21 0.08 0.54 -0.00 0.00 0.00 177.39 178.22 1zza n ARG 39 N -0.63 -1.41 -1.89 1.47 1.74 -1.25 -4.83 116.66 109.85 1zza n ARG 39 Ca 0.11 1.08 -0.43 0.00 -0.77 0.00 0.00 57.85 57.84 1zza n ARG 39 Cb 0.36 -4.37 -0.03 0.00 -1.02 0.00 0.00 32.46 27.41 1zza n ARG 39 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1zza s LEU 40 N -4.72 3.74 0.30 0.55 0.20 -1.26 -4.83 118.68 112.66 1zza s LEU 40 Ca 0.08 1.74 0.19 0.00 0.69 0.00 0.00 54.13 56.83 1zza s LEU 40 Cb -0.03 -3.52 1.03 0.00 -0.43 0.00 0.00 46.19 43.24 1zza s LEU 40 CO 0.81 -1.54 1.56 1.67 -0.29 0.00 0.00 176.35 178.57 1zza n GLN 41 N 8.14 0.12 -0.00 1.98 7.27 -1.26 -0.26 117.38 133.37 1zza n GLN 41 Ca 0.23 0.62 -0.01 0.00 0.07 0.00 0.00 57.00 57.90 1zza n GLN 41 Cb 0.45 -1.96 -0.01 0.00 2.41 0.00 0.00 30.24 31.14 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1zza h ARG 42 N 0.00 -0.07 -0.58 3.69 9.65 -2.02 -3.34 114.38 121.71 1zza h ARG 42 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1zza h ARG 42 Cb 0.11 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1zza h ARG 42 CO 0.00 -0.05 0.11 -0.84 2.80 0.00 0.00 179.97 181.99 1zza h ILE 43 N -0.69 1.24 0.00 1.20 -0.00 -1.83 -3.45 117.51 113.98 1zza h ILE 43 Ca -0.01 -0.91 0.00 0.00 -0.00 0.00 0.00 64.86 63.94 1zza h ILE 43 Cb 0.06 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 1zza h ILE 43 CO 0.01 0.34 0.00 -0.24 -0.00 0.00 0.00 178.15 178.26 1zza n SER 44 N -4.25 0.00 0.00 2.16 2.88 0.64 -0.86 113.62 114.19 1zza n SER 44 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1zza n SER 44 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza n GLN 45 N 0.00 1.33 -0.09 -1.46 0.00 -1.26 -4.89 117.38 111.01 1zza n GLN 45 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 57.00 56.80 1zza n GLN 45 Cb 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 30.24 29.92 1zza n GLN 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1zza h SER 46 N 0.00 0.00 -2.80 2.61 4.64 -1.34 -3.47 113.55 113.19 1zza h SER 46 Ca 0.00 -0.73 -0.51 0.00 -0.47 0.00 0.00 61.79 60.08 1zza h SER 46 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1zza h SER 46 CO 0.00 1.23 -0.28 -1.61 -0.87 0.00 0.00 176.83 175.30 1zza s GLU 47 N -2.28 3.51 0.39 4.77 8.01 -1.19 -5.08 118.70 126.83 1zza s GLU 47 Ca -0.23 -0.34 -0.22 0.00 0.01 0.00 0.00 54.97 54.18 1zza s GLU 47 Cb 0.01 -2.77 -0.11 0.00 -4.31 0.00 0.00 34.13 26.96 1zza s GLU 47 CO 0.63 0.30 0.93 0.34 0.01 0.00 0.00 175.26 177.47 1zza s ASP 48 N -3.52 7.05 -0.66 -0.19 -1.08 -1.26 -4.64 116.67 112.37 1zza s ASP 48 Ca 0.39 1.71 -0.27 0.00 -0.52 0.00 0.00 52.55 53.85 1zza s ASP 48 Cb -0.10 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1zza s ASP 48 CO 0.31 -0.26 1.38 -0.70 0.52 0.00 0.00 175.17 176.42 1zza s GLU 49 N -2.82 3.19 0.73 4.34 2.12 -1.26 -4.83 118.70 120.17 1zza s GLU 49 Ca 0.58 0.10 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1zza s GLU 49 Cb -0.12 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.10 1zza s GLU 49 CO 0.16 -2.11 0.00 -1.91 -0.54 0.00 0.00 175.26 170.86 1zza n GLU 50 N 9.06 -1.31 0.00 4.30 0.00 -1.26 -4.99 120.64 126.43 1zza n GLU 50 Ca 0.08 0.87 0.00 0.00 0.00 0.00 0.00 57.16 58.11 1zza n GLU 50 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.33 1zza n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1zza n SER 51 N -2.71 0.00 -0.25 4.31 7.64 -1.26 -4.95 113.62 116.39 1zza n SER 51 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.03 1zza n SER 51 Cb 0.30 0.14 0.43 0.00 -1.01 0.00 0.00 64.21 64.07 1zza n SER 51 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1zza h ILE 52 N 0.00 0.78 0.00 0.44 6.09 -1.98 0.20 117.51 123.03 1zza h ILE 52 Ca 0.00 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.29 1zza h ILE 52 Cb 0.00 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.44 1zza h ILE 52 CO 0.00 0.11 -0.02 1.62 -3.07 0.00 0.00 178.15 176.78 1zza h VAL 53 N 0.58 0.94 -0.69 2.19 3.04 -1.97 0.18 116.25 120.52 1zza h VAL 53 Ca 0.45 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1zza h VAL 53 Cb 0.88 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1zza h VAL 53 CO -0.20 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.00 1zza n GLY 54 N -1.43 2.35 0.00 3.17 0.00 0.64 -4.91 105.19 105.01 1zza n GLY 54 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 1.46 0.00 0.00 1.61 -0.08 0.05 -4.93 116.55 114.66 1zza n ASP 55 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1zza n ASP 55 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zza n GLY 56 N 5.00 2.80 0.00 0.27 0.00 -1.26 -4.90 105.19 107.10 1zza n GLY 56 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N 0.00 0.50 -1.64 1.61 -0.58 -1.26 -5.06 120.64 114.21 1zza n GLU 57 Ca 0.00 -0.60 -0.42 0.00 -0.42 0.00 0.00 57.16 55.72 1zza n GLU 57 Cb 0.00 -0.62 -0.03 0.00 -0.57 0.00 0.00 31.44 30.22 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1zza n THR 58 N -0.09 0.64 -4.18 2.62 -1.04 -1.26 -4.96 114.28 106.00 1zza n THR 58 Ca 0.00 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1zza n THR 58 Cb 0.38 -2.40 -0.10 0.00 -1.82 0.00 0.00 70.33 66.39 1zza n THR 58 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1zza s LYS 59 N 5.08 0.88 -1.27 -2.82 0.00 -1.26 -4.88 119.74 115.46 1zza s LYS 59 Ca 0.93 -1.33 -0.17 0.00 0.00 0.00 0.00 55.97 55.40 1zza s LYS 59 Cb -0.40 -0.32 0.01 0.00 0.00 0.00 0.00 37.83 37.12 1zza s LYS 59 CO 0.40 0.01 0.58 -1.91 0.00 0.00 0.00 175.35 174.43 1zza n GLU 60 N 0.00 -1.52 -1.94 1.78 2.13 -1.26 -4.72 120.64 115.11 1zza n GLU 60 Ca -0.12 0.31 -0.39 0.00 0.66 0.00 0.00 57.16 57.61 1zza n GLU 60 Cb 0.60 -3.78 0.01 0.00 0.27 0.00 0.00 31.44 28.55 1zza n GLU 60 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1zza s PRO 61 N -6.65 3.68 0.00 5.31 0.04 -1.26 0.28 135.00 136.40 1zza s PRO 61 Ca 0.30 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1zza s PRO 61 Cb -0.13 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1zza s PRO 61 CO 0.91 -0.75 0.00 0.34 0.04 0.00 0.00 177.00 177.54 1zza n PHE 62 N -0.29 0.00 -0.26 0.56 -0.00 -1.26 -4.37 117.46 111.83 1zza n PHE 62 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.45 1zza n PHE 62 Cb 0.44 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 39.97 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1zza h LEU 63 N 0.00 0.92 0.53 -2.13 3.38 -1.91 0.16 115.31 116.26 1zza h LEU 63 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1zza h LEU 63 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1zza h LEU 63 CO 0.00 0.77 -0.37 0.25 0.09 0.00 0.00 178.44 179.19 1zza h LEU 64 N 1.00 -0.95 -1.15 1.67 6.46 -0.37 0.35 115.31 122.33 1zza h LEU 64 Ca 0.25 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 58.01 1zza h LEU 64 Cb 0.07 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1zza h LEU 64 CO -0.04 -0.56 -0.06 -0.37 -0.62 0.00 0.00 178.44 176.80 1zza h VAL 65 N -0.87 1.21 -0.15 1.05 -1.51 -1.79 0.31 116.25 114.51 1zza h VAL 65 Ca -0.06 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1zza h VAL 65 Cb 0.72 1.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1zza h VAL 65 CO 0.03 0.30 0.09 -0.61 -1.23 0.00 0.00 177.57 176.15 1zza h GLN 66 N 0.50 0.21 -0.39 5.19 4.15 -0.22 0.32 115.11 124.86 1zza h GLN 66 Ca 0.10 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 1zza h GLN 66 Cb 0.41 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1zza h GLN 66 CO 0.02 0.19 -0.29 1.88 -1.93 0.00 0.00 178.83 178.71 1zza h TYR 67 N 0.16 1.04 -0.70 3.99 0.05 0.03 0.40 116.97 121.95 1zza h TYR 67 Ca 0.05 -0.29 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 1zza h TYR 67 Cb 0.04 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1zza h TYR 67 CO -0.05 1.09 0.34 1.03 -1.05 0.00 0.00 178.16 179.52 1zza h SER 68 N 0.70 0.89 0.18 3.88 0.87 -0.09 0.32 113.55 120.29 1zza h SER 68 Ca 0.08 -0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.25 1zza h SER 68 Cb 0.87 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1zza h SER 68 CO 0.08 0.75 -1.39 0.00 -0.53 0.00 0.00 176.83 175.74 1zza h ALA 69 N 1.39 0.02 -0.35 6.23 0.00 -0.23 -3.34 119.26 122.98 1zza h ALA 69 Ca 0.24 -0.96 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1zza h ALA 69 Cb 0.09 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1zza h ALA 69 CO -0.03 0.74 -0.11 1.57 0.00 0.00 0.00 179.25 181.42 1zza h LYS 70 N -0.10 0.60 -0.37 0.00 2.10 -0.06 -0.47 116.57 118.27 1zza h LYS 70 Ca -0.27 -0.18 0.04 0.00 -2.00 0.00 0.00 60.65 58.24 1zza h LYS 70 Cb 1.93 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 33.14 1zza h LYS 70 CO 0.17 0.70 -0.33 0.78 -2.00 0.00 0.00 179.45 178.77 1zza h GLY 71 N 0.95 -1.50 0.80 0.07 0.00 -0.48 2.71 103.07 105.62 1zza h GLY 71 Ca 0.10 0.85 -0.07 0.00 0.00 0.00 0.00 47.33 48.21 1zza h GLY 71 CO 0.03 -0.39 -0.16 -0.56 0.00 0.00 0.00 176.54 175.46 1zza h PRO 72 N -0.14 0.43 -0.81 4.80 0.13 -1.72 0.20 132.00 134.89 1zza h PRO 72 Ca 0.06 -0.22 0.09 0.00 -0.87 0.00 0.00 66.00 65.07 1zza h PRO 72 Cb 0.30 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.36 1zza h PRO 72 CO -0.43 0.77 0.46 0.00 -0.23 0.00 0.00 178.00 178.58 1zza h VAL 74 N 0.78 1.41 -0.71 0.00 2.07 0.48 0.23 116.25 120.52 1zza h VAL 74 Ca 0.39 -1.78 0.14 0.00 0.82 0.00 0.00 66.70 66.26 1zza h VAL 74 Cb 0.35 2.33 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 1zza h VAL 74 CO -0.24 0.52 0.24 -0.08 0.02 0.00 0.00 177.57 178.02 1zza h GLU 75 N -0.10 0.36 -0.01 1.57 4.81 0.13 0.87 114.58 122.22 1zza h GLU 75 Ca -0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1zza h GLU 75 Cb 1.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1zza h GLU 75 CO 0.08 0.24 -0.05 0.00 -0.73 0.00 0.00 179.01 178.55 1zza h ARG 76 N 0.37 0.05 0.00 1.92 -0.00 -0.41 -1.11 114.38 115.21 1zza h ARG 76 Ca 0.39 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.82 1zza h ARG 76 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.57 1zza h ARG 76 CO -0.41 0.72 0.00 1.57 0.00 0.00 0.00 179.97 181.84 1zza h LYS 77 N -0.59 0.00 0.17 0.04 2.10 0.03 0.82 116.57 119.14 1zza h LYS 77 Ca -0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1zza h LYS 77 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1zza h LYS 77 CO 0.01 0.00 -1.81 0.00 -2.00 0.00 0.00 179.45 175.65 1zza h ALA 78 N 2.03 0.22 -0.38 0.07 0.00 0.77 0.20 119.26 122.17 1zza h ALA 78 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 54.91 53.58 1zza h ALA 78 Cb 0.33 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1zza h ALA 78 CO 0.00 1.09 -0.27 0.87 0.00 0.00 0.00 179.25 180.95 1zza h LYS 79 N 0.10 0.78 0.20 0.00 1.57 -0.89 0.83 116.57 119.17 1zza h LYS 79 Ca -0.36 -0.34 -0.32 0.00 -1.87 0.00 0.00 60.65 57.76 1zza h LYS 79 Cb 2.09 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 34.39 1zza h LYS 79 CO 0.16 0.96 -1.46 1.25 -0.57 0.00 0.00 179.45 179.79 1zza h LEU 80 N 0.67 0.65 -5.37 2.94 5.85 -0.95 -3.42 115.31 115.68 1zza h LEU 80 Ca 0.08 -0.74 -0.34 0.00 0.84 0.00 0.00 57.88 57.73 1zza h LEU 80 Cb 0.79 -0.21 -0.24 0.00 0.37 0.00 0.00 40.66 41.37 1zza h LEU 80 CO 0.07 1.59 -0.72 0.23 -0.34 0.00 0.00 178.44 179.27 1zza n MET 81 N -3.62 0.91 -1.46 1.25 2.81 0.69 -5.06 117.12 112.64 1zza n MET 81 Ca -0.15 -2.40 -0.57 0.00 -1.81 0.00 0.00 57.70 52.77 1zza n MET 81 Cb 1.07 -1.32 -0.08 0.00 -0.71 0.00 0.00 33.22 32.18 1zza n MET 81 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1zza n THR 82 N 0.80 0.00 1.25 2.03 -1.04 0.29 -4.46 114.28 113.15 1zza n THR 82 Ca 0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.26 1zza n THR 82 Cb 0.65 -0.35 0.63 0.00 -1.82 0.00 0.00 70.33 69.44 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zza n PRO 83 N 3.04 0.50 -0.32 -2.82 -0.04 -1.26 -4.87 135.00 129.24 1zza n PRO 83 Ca 0.25 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1zza n PRO 83 Cb -0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1zza n PRO 83 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zza n ASN 84 N -1.16 0.00 -2.68 3.54 5.15 -1.26 -4.68 115.26 114.16 1zza n ASN 84 Ca 0.14 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.07 1zza n ASN 84 Cb 0.14 -0.84 0.07 0.00 -0.53 0.00 0.00 39.78 38.62 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N -2.00 -1.37 0.31 8.20 0.00 -1.26 -5.00 105.19 104.06 1zza n GLY 85 Ca 0.00 0.85 0.21 0.00 0.00 0.00 0.00 46.02 47.07 1zza n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 86 N 3.44 0.00 -0.28 1.61 0.13 -1.83 -2.24 132.00 132.83 1zza h PRO 86 Ca -0.19 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1zza h PRO 86 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1zza h PRO 86 CO -0.08 0.00 0.20 0.93 -0.23 0.00 0.00 178.00 178.82 1zza h GLU 87 N 0.00 0.07 -0.01 0.86 3.07 -1.96 -1.95 114.58 114.67 1zza h GLU 87 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1zza h GLU 87 Cb 0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1zza h GLU 87 CO 0.00 0.05 -0.30 1.55 -1.40 0.00 0.00 179.01 178.91 1zza n VAL 88 N -4.47 0.00 -3.23 3.13 3.14 -0.86 -4.77 118.33 111.28 1zza n VAL 88 Ca 0.03 -0.35 -0.23 0.00 -2.96 0.00 0.00 64.34 60.83 1zza n VAL 88 Cb 0.31 1.14 -0.07 0.00 -1.06 0.00 0.00 33.84 34.15 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1zza n HIS 89 N -0.30 -0.95 -1.82 1.45 8.25 -0.75 -5.15 115.22 115.95 1zza n HIS 89 Ca 0.05 -3.24 0.00 0.00 -0.26 0.00 0.00 57.72 54.27 1zza n HIS 89 Cb 0.26 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39