#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza h SER 2 N 0.00 -0.67 -3.41 1.61 4.64 -2.07 -3.34 113.55 110.32 1zza h SER 2 Ca 0.00 0.13 -0.60 0.00 -0.47 0.00 0.00 61.79 60.85 1zza h SER 2 Cb 0.00 0.33 -0.12 0.00 -0.31 0.00 0.00 62.40 62.30 1zza h SER 2 CO 0.00 -0.25 -0.34 -0.04 -0.87 0.00 0.00 176.83 175.33 1zza s MET 3 N -6.11 4.19 -0.19 4.77 -1.94 -1.26 -4.69 119.30 114.06 1zza s MET 3 Ca -0.15 0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 53.81 1zza s MET 3 Cb 0.12 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.50 1zza s MET 3 CO 0.68 0.12 0.09 0.45 -0.01 0.00 0.00 175.02 176.36 1zza n SER 4 N 3.99 -3.72 -2.45 3.03 2.88 -1.26 -5.04 113.62 111.06 1zza n SER 4 Ca -0.12 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1zza n SER 4 Cb 0.52 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1zza n ILE 5 N 0.91 0.00 -3.53 2.46 -6.64 -1.25 -0.10 119.36 111.20 1zza n ILE 5 Ca -0.16 0.00 -0.21 0.00 -1.77 0.00 0.00 62.75 60.61 1zza n ILE 5 Cb 0.25 -1.99 0.08 0.00 -1.44 0.00 0.00 39.64 36.53 1zza n ILE 5 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58 1zza n MET 6 N -0.55 -7.06 0.17 6.28 1.56 -1.26 -4.60 117.12 111.67 1zza n MET 6 Ca 0.00 0.82 0.19 0.00 -0.27 0.00 0.00 57.70 58.44 1zza n MET 6 Cb 0.00 -5.83 0.78 0.00 2.15 0.00 0.00 33.22 30.32 1zza n MET 6 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1zza h ASP 7 N -2.24 0.00 -1.50 6.12 5.19 -1.95 -2.69 116.42 119.35 1zza h ASP 7 Ca -0.58 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 55.11 1zza h ASP 7 Cb 1.35 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.68 1zza h ASP 7 CO 0.53 0.00 1.59 1.41 -3.12 0.00 0.00 179.24 179.66 1zza n HIS 8 N -3.52 2.51 0.23 4.55 8.25 -1.26 -0.55 115.22 125.42 1zza n HIS 8 Ca 0.04 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.94 1zza n HIS 8 Cb 0.51 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1zza n HIS 8 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1zza n SER 9 N 0.91 -4.18 -3.39 0.41 7.64 -1.01 -4.88 113.62 109.11 1zza n SER 9 Ca 0.55 0.90 0.00 0.00 1.01 0.00 0.00 58.87 61.34 1zza n SER 9 Cb 0.30 3.89 0.00 0.00 -1.01 0.00 0.00 64.21 67.39 1zza n SER 9 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1zza n PRO 10 N -3.44 1.80 -0.00 1.43 -0.04 -1.25 -4.14 135.00 129.35 1zza n PRO 10 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1zza n PRO 10 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1zza n PRO 10 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1zza h THR 11 N -0.20 0.64 -0.21 0.52 1.35 -1.96 0.75 112.91 113.80 1zza h THR 11 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 1zza h THR 11 Cb 0.00 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1zza h THR 11 CO 0.00 0.00 0.17 0.00 -0.25 0.00 0.00 175.52 175.44 1zza h THR 12 N -0.16 0.74 0.22 6.82 1.03 -1.91 0.20 112.91 119.85 1zza h THR 12 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.48 1zza h THR 12 Cb 0.29 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1zza h THR 12 CO -0.22 0.00 -0.10 1.23 -0.01 0.00 0.00 175.52 176.41 1zza h GLY 13 N 0.00 -0.30 1.32 2.99 0.00 0.12 -0.80 103.07 106.40 1zza h GLY 13 Ca 0.10 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1zza h GLY 13 CO -0.00 -0.11 0.31 -0.39 0.00 0.00 0.00 176.54 176.35 1zza h VAL 14 N -1.05 0.96 -0.23 4.60 -1.51 -0.65 -0.79 116.25 117.58 1zza h VAL 14 Ca -0.03 -0.13 -0.19 0.00 -1.23 0.00 0.00 66.70 65.12 1zza h VAL 14 Cb 0.32 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1zza h VAL 14 CO 0.05 0.07 -0.59 0.58 -1.23 0.00 0.00 177.57 176.45 1zza h VAL 15 N 0.37 1.29 -0.07 7.19 2.07 -0.66 -1.68 116.25 124.76 1zza h VAL 15 Ca 0.20 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1zza h VAL 15 Cb 0.33 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1zza h VAL 15 CO -0.05 0.57 0.00 0.74 0.02 0.00 0.00 177.57 178.86 1zza h THR 16 N 0.55 0.96 -0.47 2.57 2.02 0.20 0.18 112.91 118.92 1zza h THR 16 Ca -0.01 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1zza h THR 16 Cb 1.21 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1zza h THR 16 CO 0.13 0.01 0.12 -0.37 0.37 0.00 0.00 175.52 175.77 1zza h VAL 17 N 0.03 1.24 -0.13 3.16 -1.51 -1.23 0.66 116.25 118.46 1zza h VAL 17 Ca 0.03 -0.83 -0.08 0.00 -1.23 0.00 0.00 66.70 64.59 1zza h VAL 17 Cb 0.03 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1zza h VAL 17 CO -0.05 0.30 -0.28 0.16 -1.23 0.00 0.00 177.57 176.46 1zza h ILE 18 N 0.64 1.25 -0.09 7.19 3.07 -1.10 0.41 117.51 128.88 1zza h ILE 18 Ca 0.15 -1.20 -0.04 0.00 1.55 0.00 0.00 64.86 65.32 1zza h ILE 18 Cb 0.33 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1zza h ILE 18 CO 0.00 0.36 -0.09 0.58 -1.05 0.00 0.00 178.15 177.96 1zza h VAL 19 N 0.22 1.36 -0.38 0.16 2.07 -0.68 0.37 116.25 119.37 1zza h VAL 19 Ca 0.03 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1zza h VAL 19 Cb 0.62 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1zza h VAL 19 CO 0.05 0.35 0.24 0.40 0.02 0.00 0.00 177.57 178.62 1zza h ILE 20 N -0.18 1.11 0.09 4.57 2.04 -0.60 0.17 117.51 124.71 1zza h ILE 20 Ca 0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1zza h ILE 20 Cb 0.60 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1zza h ILE 20 CO 0.02 0.11 -0.07 -0.07 0.00 0.00 0.00 178.15 178.14 1zza h LEU 21 N 0.50 -0.17 -1.22 1.44 3.38 -0.11 0.26 115.31 119.40 1zza h LEU 21 Ca 0.14 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1zza h LEU 21 Cb -0.03 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1zza h LEU 21 CO -0.03 -0.11 0.56 0.40 0.09 0.00 0.00 178.44 179.36 1zza h ILE 22 N -0.16 0.99 0.12 1.22 2.04 0.10 0.25 117.51 122.08 1zza h ILE 22 Ca -0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1zza h ILE 22 Cb 0.15 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1zza h ILE 22 CO -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 178.25 1zza h ALA 23 N 1.55 -0.17 -0.63 1.87 0.00 0.28 0.17 119.26 122.34 1zza h ALA 23 Ca 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1zza h ALA 23 Cb 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1zza h ALA 23 CO -0.16 -0.40 0.27 -0.84 0.00 0.00 0.00 179.25 178.12 1zza h ILE 24 N -0.56 1.21 -0.29 0.00 3.07 -0.07 0.26 117.51 121.13 1zza h ILE 24 Ca -0.02 -0.64 -0.03 0.00 1.55 0.00 0.00 64.86 65.72 1zza h ILE 24 Cb 0.44 0.44 -0.01 0.00 -0.27 0.00 0.00 36.82 37.42 1zza h ILE 24 CO 0.03 0.26 0.06 0.00 -1.05 0.00 0.00 178.15 177.45 1zza h ALA 25 N 1.41 0.39 -0.59 0.16 0.00 -0.44 0.35 119.26 120.54 1zza h ALA 25 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 25 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1zza h ALA 25 CO -0.02 0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.59 1zza h ALA 26 N 0.89 0.75 -0.27 0.00 0.00 -0.07 0.20 119.26 120.76 1zza h ALA 26 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zza h ALA 26 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1zza h ALA 26 CO 0.00 0.30 0.15 1.25 0.00 0.00 0.00 179.25 180.95 1zza h LEU 27 N 0.80 0.33 -0.47 0.00 6.46 -0.20 0.32 115.31 122.55 1zza h LEU 27 Ca 0.20 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1zza h LEU 27 Cb 0.09 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1zza h LEU 27 CO -0.03 0.31 0.25 1.23 -0.62 0.00 0.00 178.44 179.58 1zza h GLY 28 N 0.33 0.65 0.98 3.75 0.00 0.16 0.15 103.07 109.10 1zza h GLY 28 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1zza h GLY 28 CO -0.02 0.13 0.28 0.00 0.00 0.00 0.00 176.54 176.93 1zza h ALA 29 N 1.23 0.61 -1.00 3.60 0.00 -0.14 0.17 119.26 123.75 1zza h ALA 29 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1zza h ALA 29 Cb 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1zza h ALA 29 CO -0.12 0.12 0.66 -0.07 0.00 0.00 0.00 179.25 179.84 1zza h LEU 30 N 0.64 1.10 -0.15 0.00 3.38 0.42 0.34 115.31 121.04 1zza h LEU 30 Ca 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1zza h LEU 30 CO -0.03 0.76 -0.10 0.40 0.09 0.00 0.00 178.44 179.56 1zza h ILE 31 N 1.28 1.33 -0.43 1.22 2.04 -0.04 -0.24 117.51 122.66 1zza h ILE 31 Ca 0.39 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1zza h ILE 31 Cb -0.02 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1zza h ILE 31 CO -0.12 0.35 0.26 0.25 0.00 0.00 0.00 178.15 178.88 1zza h LEU 32 N -0.01 0.53 -0.07 1.44 5.85 -0.15 0.32 115.31 123.21 1zza h LEU 32 Ca 0.03 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1zza h LEU 32 Cb 0.59 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1zza h LEU 32 CO 0.03 0.44 0.03 1.23 -0.34 0.00 0.00 178.44 179.83 1zza h GLY 33 N 0.57 0.11 1.02 3.75 0.00 -0.31 0.33 103.07 108.54 1zza h GLY 33 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1zza h GLY 33 CO -0.03 0.06 0.55 0.00 0.00 0.00 0.00 176.54 177.12 1zza h TRP 35 N 1.26 -0.12 0.00 0.00 7.01 -0.04 -3.45 115.95 120.61 1zza h TRP 35 Ca 0.33 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1zza h TRP 35 Cb -0.06 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1zza h TRP 35 CO 0.00 0.20 0.00 0.00 -2.79 0.00 0.00 178.44 175.85 1zza n TYR 37 N 0.00 0.00 0.94 0.00 4.19 -1.26 -5.01 117.16 116.02 1zza n TYR 37 Ca 0.00 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.34 1zza n TYR 37 Cb 0.00 0.00 0.40 0.00 0.49 0.00 0.00 39.34 40.23 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1zza n LEU 38 N 0.00 0.34 0.00 2.98 -0.00 -0.97 -4.89 117.00 114.46 1zza n LEU 38 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1zza n LEU 38 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1zza n LEU 38 CO 0.00 0.04 0.00 0.54 -0.00 0.00 0.00 177.39 177.97 1zza n ARG 39 N -1.59 0.00 -0.65 1.47 5.12 -1.26 -5.08 116.66 114.66 1zza n ARG 39 Ca 0.06 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.97 1zza n ARG 39 Cb 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.64 1zza n ARG 39 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1zza n LEU 40 N 0.00 -0.18 -1.67 0.55 -0.00 -1.26 -4.97 117.00 109.48 1zza n LEU 40 Ca 0.00 -1.26 -0.04 0.00 -0.00 0.00 0.00 56.01 54.71 1zza n LEU 40 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1zza n LEU 40 CO 0.00 1.00 1.21 0.00 -0.00 0.00 0.00 177.39 179.60 1zza n GLN 41 N 0.02 1.34 -0.02 1.47 3.00 -1.26 -4.36 117.38 117.57 1zza n GLN 41 Ca -0.06 -0.34 -0.01 0.00 -0.01 0.00 0.00 57.00 56.58 1zza n GLN 41 Cb 0.59 -1.34 -0.00 0.00 0.00 0.00 0.00 30.24 29.49 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1zza h ARG 42 N 1.68 0.00 -0.23 -1.09 9.65 -1.96 -3.38 114.38 119.05 1zza h ARG 42 Ca 0.07 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1zza h ARG 42 Cb 1.18 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1zza h ARG 42 CO 0.08 0.00 -0.18 -0.84 2.80 0.00 0.00 179.97 181.83 1zza h ILE 43 N -0.41 1.23 -0.15 1.20 3.07 -1.94 -3.34 117.51 117.18 1zza h ILE 43 Ca 0.00 -1.06 -0.62 0.00 1.55 0.00 0.00 64.86 64.73 1zza h ILE 43 Cb 0.09 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 1zza h ILE 43 CO 0.00 0.34 2.32 -1.54 -1.05 0.00 0.00 178.15 178.22 1zza n SER 44 N -4.19 3.15 0.19 2.16 3.41 -1.26 -4.65 113.62 112.44 1zza n SER 44 Ca -0.00 -2.74 0.08 0.00 -0.26 0.00 0.00 58.87 55.94 1zza n SER 44 Cb 0.34 -1.40 0.25 0.00 -0.26 0.00 0.00 64.21 63.14 1zza n SER 44 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1zza h GLN 45 N 7.66 0.00 -6.27 4.33 4.20 -1.82 -3.47 115.11 119.75 1zza h GLN 45 Ca 0.43 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.66 1zza h GLN 45 Cb 0.72 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.39 1zza h GLN 45 CO 1.79 0.28 -0.74 0.45 -0.67 0.00 0.00 178.83 179.94 1zza n SER 46 N -3.26 -4.11 -3.56 1.46 2.88 -1.26 -4.96 113.62 100.81 1zza n SER 46 Ca 0.02 -0.78 -0.22 0.00 -1.33 0.00 0.00 58.87 56.55 1zza n SER 46 Cb 0.56 -3.33 0.15 0.00 -0.75 0.00 0.00 64.21 60.84 1zza n SER 46 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1zza n GLU 47 N -4.38 -0.87 -0.96 -1.46 0.00 -1.26 -5.06 120.64 106.65 1zza n GLU 47 Ca 0.05 -1.68 -0.30 0.00 0.00 0.00 0.00 57.16 55.22 1zza n GLU 47 Cb 0.52 -1.00 0.26 0.00 0.00 0.00 0.00 31.44 31.22 1zza n GLU 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1zza n ASP 48 N -3.57 -2.32 -4.55 -1.84 -0.08 -1.26 -4.87 116.55 98.05 1zza n ASP 48 Ca 0.13 -1.14 -0.40 0.00 -1.51 0.00 0.00 54.79 51.87 1zza n ASP 48 Cb 0.45 -1.01 -0.03 0.00 2.34 0.00 0.00 41.12 42.87 1zza n ASP 48 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1zza s GLU 49 N -5.46 2.94 0.20 -0.67 0.41 -1.26 -4.97 118.70 109.89 1zza s GLU 49 Ca 0.71 0.28 0.10 0.00 -0.41 0.00 0.00 54.97 55.65 1zza s GLU 49 Cb -0.08 -4.27 -0.04 0.00 -1.78 0.00 0.00 34.13 27.96 1zza s GLU 49 CO 0.55 -2.39 -0.14 -2.00 -0.49 0.00 0.00 175.26 170.78 1zza s GLU 50 N 6.32 1.88 0.00 1.61 -6.30 -1.26 -4.98 118.70 115.97 1zza s GLU 50 Ca 0.53 -1.39 0.00 0.00 -2.50 0.00 0.00 54.97 51.61 1zza s GLU 50 Cb -0.11 -2.04 0.00 0.00 0.00 0.00 0.00 34.13 31.99 1zza s GLU 50 CO 0.19 0.41 0.00 0.43 0.02 0.00 0.00 175.26 176.32 1zza n SER 51 N 0.02 0.00 0.07 -1.70 7.64 -1.26 -4.56 113.62 113.82 1zza n SER 51 Ca -0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 1zza n SER 51 Cb 0.56 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.61 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1zza h ILE 52 N 0.00 1.21 0.05 0.44 1.08 -1.94 -3.33 117.51 115.02 1zza h ILE 52 Ca 0.00 -2.54 -0.38 0.00 -0.39 0.00 0.00 64.86 61.55 1zza h ILE 52 Cb 0.00 2.95 -0.05 0.00 -3.07 0.00 0.00 36.82 36.65 1zza h ILE 52 CO 0.00 0.77 -2.26 1.33 -0.69 0.00 0.00 178.15 177.30 1zza n VAL 53 N -3.86 1.61 -0.26 1.67 0.24 -1.26 -3.38 118.33 113.09 1zza n VAL 53 Ca -0.20 -0.57 0.06 0.00 -2.04 0.00 0.00 64.34 61.59 1zza n VAL 53 Cb 0.97 -1.59 0.19 0.00 -1.47 0.00 0.00 33.84 31.94 1zza n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1zza h GLY 54 N 1.38 1.14 -2.98 7.63 0.00 -1.92 0.81 103.07 109.14 1zza h GLY 54 Ca -0.52 -0.13 -0.28 0.00 0.00 0.00 0.00 47.33 46.40 1zza h GLY 54 CO -0.05 -0.13 0.25 1.22 0.00 0.00 0.00 176.54 177.83 1zza n ASP 55 N -5.03 3.52 0.00 0.19 8.00 -1.25 -4.38 116.55 117.60 1zza n ASP 55 Ca 0.15 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 52.11 1zza n ASP 55 Cb 0.44 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zza n GLY 56 N -0.88 0.00 0.36 0.44 0.00 0.04 -4.79 105.19 100.37 1zza n GLY 56 Ca 0.43 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.53 1zza n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1zza h GLU 57 N 0.00 0.68 -6.29 1.61 4.22 0.33 -3.46 114.58 111.67 1zza h GLU 57 Ca 0.00 -0.04 -0.47 0.00 0.08 0.00 0.00 59.36 58.93 1zza h GLU 57 Cb 0.33 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1zza h GLU 57 CO 0.00 0.45 -0.80 2.41 -2.18 0.00 0.00 179.01 178.89 1zza n THR 58 N -4.50 -2.85 -4.74 0.32 -1.04 -1.26 -4.98 114.28 95.23 1zza n THR 58 Ca 0.12 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.05 61.59 1zza n THR 58 Cb 0.31 -3.02 -0.07 0.00 -1.82 0.00 0.00 70.33 65.72 1zza n THR 58 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1zza s LYS 59 N -6.43 2.18 -0.46 -2.82 2.36 -1.26 -4.94 119.74 108.37 1zza s LYS 59 Ca 0.38 -2.40 -0.22 0.00 -2.55 0.00 0.00 55.97 51.17 1zza s LYS 59 Cb -0.19 -1.38 0.03 0.00 -1.05 0.00 0.00 37.83 35.24 1zza s LYS 59 CO 0.84 -0.41 0.63 0.39 1.55 0.00 0.00 175.35 178.34 1zza n GLU 60 N -1.24 -2.17 0.00 4.03 4.71 -1.26 -4.83 120.64 119.88 1zza n GLU 60 Ca -0.19 1.84 0.00 0.00 -0.01 0.00 0.00 57.16 58.80 1zza n GLU 60 Cb 0.67 -4.43 0.00 0.00 -1.01 0.00 0.00 31.44 26.67 1zza n GLU 60 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1zza n PRO 61 N -0.39 0.73 -3.27 3.49 -0.04 -1.26 -4.24 135.00 130.02 1zza n PRO 61 Ca 0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1zza n PRO 61 Cb 0.54 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.89 1zza n PRO 61 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1zza s PHE 62 N -1.85 3.64 0.32 0.54 0.08 -1.26 -4.95 117.98 114.51 1zza s PHE 62 Ca 0.00 1.19 0.02 0.00 0.12 0.00 0.00 56.93 58.25 1zza s PHE 62 Cb 0.00 -2.46 0.59 0.00 -0.57 0.00 0.00 43.02 40.58 1zza s PHE 62 CO 0.00 0.42 1.94 -0.07 -0.10 0.00 0.00 175.22 177.42 1zza h LEU 63 N 3.64 0.83 0.34 -0.37 3.38 -1.98 0.11 115.31 121.26 1zza h LEU 63 Ca -0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1zza h LEU 63 Cb 1.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1zza h LEU 63 CO 0.65 0.55 -0.48 0.25 0.09 0.00 0.00 178.44 179.51 1zza h LEU 64 N 0.95 -1.35 -0.66 1.67 5.85 -1.95 0.20 115.31 120.01 1zza h LEU 64 Ca 0.34 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 59.05 1zza h LEU 64 Cb 0.13 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1zza h LEU 64 CO -0.11 -0.59 -0.36 -0.37 -0.34 0.00 0.00 178.44 176.66 1zza h VAL 65 N -0.86 1.29 0.06 1.05 -1.51 -1.82 0.18 116.25 114.63 1zza h VAL 65 Ca -0.03 -1.51 0.02 0.00 -1.23 0.00 0.00 66.70 63.94 1zza h VAL 65 Cb 0.79 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 1zza h VAL 65 CO -0.14 0.48 -0.18 -0.61 -1.23 0.00 0.00 177.57 175.89 1zza h GLN 66 N 0.53 -0.31 -0.34 5.19 4.15 -0.40 0.37 115.11 124.30 1zza h GLN 66 Ca 0.05 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 1zza h GLN 66 Cb 0.87 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1zza h GLN 66 CO 0.08 -0.21 -0.41 1.88 -1.93 0.00 0.00 178.83 178.24 1zza h TYR 67 N -0.32 1.03 -0.92 3.99 -1.99 -0.58 0.34 116.97 118.51 1zza h TYR 67 Ca 0.04 -0.31 0.05 0.00 2.00 0.00 0.00 58.73 60.51 1zza h TYR 67 Cb 0.36 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.82 1zza h TYR 67 CO -0.20 1.12 0.59 1.03 -0.00 0.00 0.00 178.16 180.69 1zza h SER 68 N 0.69 0.95 0.04 3.88 0.87 -0.13 0.47 113.55 120.33 1zza h SER 68 Ca 0.05 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.39 1zza h SER 68 Cb 0.99 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1zza h SER 68 CO 0.10 0.63 -1.23 0.00 -0.53 0.00 0.00 176.83 175.79 1zza h ALA 69 N 1.41 0.23 -0.30 6.23 0.00 -0.17 -3.38 119.26 123.27 1zza h ALA 69 Ca 0.39 -1.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1zza h ALA 69 Cb 0.10 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1zza h ALA 69 CO -0.15 0.72 -0.15 1.57 0.00 0.00 0.00 179.25 181.24 1zza h LYS 70 N -0.69 0.53 -0.22 0.00 2.10 -0.31 -0.87 116.57 117.11 1zza h LYS 70 Ca -0.30 -0.17 0.03 0.00 -2.00 0.00 0.00 60.65 58.21 1zza h LYS 70 Cb 1.47 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 32.70 1zza h LYS 70 CO -0.08 0.67 -0.37 0.78 -2.00 0.00 0.00 179.45 178.45 1zza h GLY 71 N 0.96 -1.30 0.74 0.07 0.00 -0.21 2.01 103.07 105.34 1zza h GLY 71 Ca 0.09 0.73 -0.03 0.00 0.00 0.00 0.00 47.33 48.12 1zza h GLY 71 CO 0.03 -0.33 -0.03 -0.56 0.00 0.00 0.00 176.54 175.66 1zza h PRO 72 N -0.31 0.23 -1.00 4.80 0.13 -1.73 0.24 132.00 134.35 1zza h PRO 72 Ca 0.04 -0.09 0.15 0.00 -0.87 0.00 0.00 66.00 65.23 1zza h PRO 72 Cb 0.42 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.44 1zza h PRO 72 CO -0.37 0.52 0.63 0.00 -0.23 0.00 0.00 178.00 178.55 1zza h VAL 74 N 0.90 1.46 -0.78 0.00 2.07 0.34 -1.67 116.25 118.58 1zza h VAL 74 Ca 0.53 -1.82 0.11 0.00 0.82 0.00 0.00 66.70 66.34 1zza h VAL 74 Cb 0.66 2.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 1zza h VAL 74 CO -0.31 0.51 0.40 -0.08 0.02 0.00 0.00 177.57 178.12 1zza h GLU 75 N -0.28 0.64 0.04 1.57 4.22 0.64 0.47 114.58 121.88 1zza h GLU 75 Ca -0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.37 1zza h GLU 75 Cb 1.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1zza h GLU 75 CO 0.06 0.42 -0.02 0.00 -2.18 0.00 0.00 179.01 177.30 1zza h ARG 76 N 0.65 -0.05 -0.61 1.92 -0.00 -0.06 -0.11 114.38 116.12 1zza h ARG 76 Ca 0.39 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.94 1zza h ARG 76 Cb 0.44 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.37 1zza h ARG 76 CO -0.29 0.13 0.31 0.87 0.00 0.00 0.00 179.97 180.98 1zza h LYS 77 N -0.22 0.55 -0.04 0.04 1.57 -0.28 0.27 116.57 118.46 1zza h LYS 77 Ca -0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1zza h LYS 77 Cb 0.20 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1zza h LYS 77 CO 0.01 0.37 -0.16 0.00 -0.57 0.00 0.00 179.45 179.10 1zza h ALA 78 N 1.35 -0.15 -0.60 3.86 0.00 0.19 0.44 119.26 124.35 1zza h ALA 78 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1zza h ALA 78 Cb 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1zza h ALA 78 CO -0.21 -0.63 0.37 0.87 0.00 0.00 0.00 179.25 179.65 1zza h LYS 79 N -0.24 0.71 0.55 0.00 1.57 -0.19 -0.03 116.57 118.95 1zza h LYS 79 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1zza h LYS 79 Cb 0.33 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1zza h LYS 79 CO -0.18 0.47 -0.26 1.25 -0.57 0.00 0.00 179.45 180.16 1zza h LEU 80 N 0.73 -0.62 -5.07 2.94 5.85 0.25 -3.43 115.31 115.97 1zza h LEU 80 Ca 0.24 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.72 1zza h LEU 80 Cb 0.00 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.03 1zza h LEU 80 CO -0.09 -0.36 -0.49 0.80 -0.34 0.00 0.00 178.44 177.95 1zza n MET 81 N -4.46 1.01 -1.01 1.25 1.56 0.15 -5.09 117.12 110.52 1zza n MET 81 Ca -0.09 -2.02 0.00 0.00 -0.27 0.00 0.00 57.70 55.32 1zza n MET 81 Cb 0.29 -1.09 0.00 0.00 2.15 0.00 0.00 33.22 34.57 1zza n MET 81 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1zza n THR 82 N 0.41 -2.42 0.21 1.12 -2.24 -0.03 -4.73 114.28 106.60 1zza n THR 82 Ca 0.07 1.11 0.10 0.00 -2.27 0.00 0.00 64.05 63.07 1zza n THR 82 Cb 0.69 -1.72 0.29 0.00 -2.10 0.00 0.00 70.33 67.50 1zza n THR 82 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1zza h PRO 83 N 0.39 0.00 -3.31 -0.78 0.13 -1.79 -3.21 132.00 123.44 1zza h PRO 83 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1zza h PRO 83 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1zza h PRO 83 CO 0.00 0.18 -0.36 0.09 -0.23 0.00 0.00 178.00 177.68 1zza n ASN 84 N -3.20 -4.36 -3.57 1.44 3.02 -0.92 -4.83 115.26 102.84 1zza n ASN 84 Ca 0.02 0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.45 1zza n ASN 84 Cb 0.52 -3.72 -0.15 0.00 -0.61 0.00 0.00 39.78 35.82 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1zza s GLY 85 N -2.06 0.63 0.49 7.41 0.00 -0.70 -4.95 107.32 108.14 1zza s GLY 85 Ca 0.00 -1.27 0.33 0.00 0.00 0.00 0.00 44.72 43.78 1zza s GLY 85 CO 0.00 1.99 1.99 -0.56 0.00 0.00 0.00 173.10 176.51 1zza h PRO 86 N 8.22 0.00 -0.80 2.90 0.13 -1.77 -0.89 132.00 139.78 1zza h PRO 86 Ca -0.16 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.12 1zza h PRO 86 Cb 1.01 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.08 1zza h PRO 86 CO 0.43 0.00 0.53 1.49 -0.23 0.00 0.00 178.00 180.22 1zza h GLU 87 N 0.00 0.44 0.00 0.86 4.81 -1.95 -3.02 114.58 115.72 1zza h GLU 87 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1zza h GLU 87 Cb 0.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1zza h GLU 87 CO 0.00 0.29 -1.34 1.55 -0.73 0.00 0.00 179.01 178.79 1zza n VAL 88 N -4.50 0.21 0.00 0.32 3.14 -1.07 -5.04 118.33 111.40 1zza n VAL 88 Ca 0.16 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1zza n VAL 88 Cb 0.55 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 1zza n VAL 88 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1zza n HIS 89 N -1.99 -1.69 0.00 1.45 -0.00 -0.55 -5.13 115.22 107.31 1zza n HIS 89 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1zza n HIS 89 Cb 0.45 0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21