#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza n SER 2 N 0.00 -1.22 0.00 1.61 7.64 -1.26 -4.38 113.62 116.01 1zza n SER 2 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1zza n SER 2 Cb 0.00 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1zza n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1zza n MET 3 N 0.71 0.00 0.00 1.43 0.00 -1.26 -4.95 117.12 113.05 1zza n MET 3 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1zza n MET 3 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.97 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 0.00 0.02 -2.88 7.83 3.41 -1.26 -4.80 113.62 115.95 1zza n SER 4 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1zza n SER 4 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.79 0.00 -2.17 -1.33 -6.64 -1.26 -3.32 119.36 101.84 1zza n ILE 5 Ca 0.00 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 1zza n ILE 5 Cb 0.25 -1.19 -0.05 0.00 -1.44 0.00 0.00 39.64 37.21 1zza n ILE 5 CO 0.00 0.00 0.00 -0.04 -1.77 0.00 0.00 176.55 174.74 1zza s MET 6 N -1.58 2.81 -0.40 6.28 -1.94 -1.26 -4.59 119.30 118.62 1zza s MET 6 Ca 0.00 -1.01 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 1zza s MET 6 Cb 0.00 -5.24 0.45 0.00 2.01 0.00 0.00 34.83 32.05 1zza s MET 6 CO 0.00 -3.42 1.81 -3.47 -0.01 0.00 0.00 175.02 169.93 1zza n ASP 7 N 12.97 4.79 -2.62 3.03 -0.08 -1.26 -4.83 116.55 128.56 1zza n ASP 7 Ca 0.43 -3.29 -0.20 0.00 -1.51 0.00 0.00 54.79 50.22 1zza n ASP 7 Cb 0.47 -0.85 0.02 0.00 2.34 0.00 0.00 41.12 43.11 1zza n ASP 7 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1zza n HIS 8 N -0.60 -1.59 -3.83 -0.67 -0.00 -1.26 0.18 115.22 107.44 1zza n HIS 8 Ca 0.46 0.37 -0.06 0.00 -0.00 0.00 0.00 57.72 58.49 1zza n HIS 8 Cb 1.13 -4.08 -0.02 0.00 -0.00 0.00 0.00 29.99 27.02 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1zza s SER 9 N -2.61 -0.22 -0.72 0.26 0.15 -1.26 -4.77 113.70 104.53 1zza s SER 9 Ca 0.22 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 1zza s SER 9 Cb -0.09 0.68 -0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1zza s SER 9 CO 0.27 -1.26 2.54 -0.81 1.20 0.00 0.00 173.24 175.17 1zza n PRO 10 N -0.47 2.19 0.07 5.44 -0.04 -1.26 -4.58 135.00 136.35 1zza n PRO 10 Ca -0.05 -1.34 -0.13 0.00 -0.04 0.00 0.00 63.50 61.95 1zza n PRO 10 Cb 0.59 -2.30 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.90 1.01 -0.82 0.52 1.35 -1.83 0.23 112.91 116.27 1zza h THR 11 Ca 0.44 -0.48 0.10 0.00 -0.55 0.00 0.00 66.41 65.92 1zza h THR 11 Cb 0.54 1.31 -0.06 0.00 -1.73 0.00 0.00 68.15 68.21 1zza h THR 11 CO 1.08 0.12 0.54 0.71 -0.25 0.00 0.00 175.52 177.72 1zza h THR 12 N -0.38 0.95 0.12 6.82 1.35 -1.80 0.37 112.91 120.35 1zza h THR 12 Ca -0.02 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 1zza h THR 12 Cb 0.31 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1zza h THR 12 CO 0.03 0.14 -0.06 1.23 -0.25 0.00 0.00 175.52 176.61 1zza h GLY 13 N 0.77 -0.17 0.66 5.82 0.00 -1.88 0.67 103.07 108.95 1zza h GLY 13 Ca 0.38 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.85 1zza h GLY 13 CO -0.15 -0.06 0.62 -2.08 0.00 0.00 0.00 176.54 174.86 1zza h VAL 14 N -0.73 1.03 -0.42 4.60 2.07 -0.46 0.77 116.25 123.11 1zza h VAL 14 Ca -0.02 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1zza h VAL 14 Cb 0.54 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1zza h VAL 14 CO 0.03 0.20 -0.19 0.58 0.02 0.00 0.00 177.57 178.20 1zza h VAL 15 N 1.08 1.28 -0.24 2.57 2.07 -0.25 -0.88 116.25 121.88 1zza h VAL 15 Ca 0.44 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1zza h VAL 15 Cb 0.25 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1zza h VAL 15 CO -0.20 0.45 0.15 0.74 0.02 0.00 0.00 177.57 178.73 1zza h THR 16 N 0.69 1.08 -0.44 2.57 2.02 0.31 0.43 112.91 119.57 1zza h THR 16 Ca 0.09 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 1zza h THR 16 Cb 0.75 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1zza h THR 16 CO 0.06 0.08 -0.12 -0.37 0.37 0.00 0.00 175.52 175.54 1zza h VAL 17 N 0.32 1.27 -0.17 3.16 -1.51 -0.82 -0.21 116.25 118.29 1zza h VAL 17 Ca 0.09 -1.24 -0.11 0.00 -1.23 0.00 0.00 66.70 64.21 1zza h VAL 17 Cb -0.01 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 1zza h VAL 17 CO -0.02 0.42 -0.37 0.16 -1.23 0.00 0.00 177.57 176.54 1zza h ILE 18 N 0.70 1.29 -0.27 7.19 3.07 -0.98 0.33 117.51 128.84 1zza h ILE 18 Ca 0.11 -1.45 -0.08 0.00 1.55 0.00 0.00 64.86 64.99 1zza h ILE 18 Cb 0.67 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 1zza h ILE 18 CO 0.05 0.45 -0.14 0.58 -1.05 0.00 0.00 178.15 178.04 1zza h VAL 19 N 0.30 1.30 -0.06 0.16 2.07 -0.76 0.50 116.25 119.75 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 0.79 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1zza h VAL 19 CO 0.06 0.39 0.02 0.40 0.02 0.00 0.00 177.57 178.46 1zza h ILE 20 N 0.29 1.16 -0.71 4.57 2.04 -0.77 0.19 117.51 124.28 1zza h ILE 20 Ca 0.06 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1zza h ILE 20 Cb 0.65 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1zza h ILE 20 CO 0.04 0.13 0.44 0.17 0.00 0.00 0.00 178.15 178.93 1zza h LEU 21 N -0.08 0.84 -0.55 1.44 8.10 -0.29 0.26 115.31 125.04 1zza h LEU 21 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1zza h LEU 21 Cb 0.19 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 1zza h LEU 21 CO -0.00 0.65 0.31 0.40 -4.11 0.00 0.00 178.44 175.69 1zza h ILE 22 N 0.96 1.17 -0.32 0.15 2.04 0.31 0.13 117.51 121.96 1zza h ILE 22 Ca 0.25 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1zza h ILE 22 Cb -0.05 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1zza h ILE 22 CO -0.05 0.18 0.11 0.00 0.00 0.00 0.00 178.15 178.39 1zza h ALA 23 N 1.15 0.42 -0.27 1.87 0.00 -0.00 0.23 119.26 122.66 1zza h ALA 23 Ca 0.19 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 23 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zza h ALA 23 CO -0.03 0.06 0.14 0.82 0.00 0.00 0.00 179.25 180.23 1zza h ILE 24 N 0.37 0.99 -0.46 0.00 2.04 -0.13 0.31 117.51 120.63 1zza h ILE 24 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1zza h ILE 24 Cb 0.24 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1zza h ILE 24 CO -0.00 0.05 0.24 0.00 0.00 0.00 0.00 178.15 178.44 1zza h ALA 25 N 1.14 0.59 -0.42 1.87 0.00 -0.52 0.23 119.26 122.15 1zza h ALA 25 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 25 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zza h ALA 25 CO -0.08 0.13 0.26 0.00 0.00 0.00 0.00 179.25 179.57 1zza h ALA 26 N 1.08 0.54 -0.37 0.00 0.00 -0.05 0.28 119.26 120.74 1zza h ALA 26 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zza h ALA 26 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1zza h ALA 26 CO -0.02 0.02 0.21 1.25 0.00 0.00 0.00 179.25 180.71 1zza h LEU 27 N 0.57 0.46 -0.52 0.00 6.46 -0.02 0.38 115.31 122.63 1zza h LEU 27 Ca 0.15 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1zza h LEU 27 Cb -0.02 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1zza h LEU 27 CO -0.03 0.40 0.29 1.23 -0.62 0.00 0.00 178.44 179.72 1zza h GLY 28 N 0.48 0.73 0.95 3.75 0.00 -0.03 0.13 103.07 109.08 1zza h GLY 28 Ca 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1zza h GLY 28 CO -0.02 0.17 0.16 0.00 0.00 0.00 0.00 176.54 176.85 1zza h ALA 29 N 1.25 0.53 -0.89 3.60 0.00 0.09 0.13 119.26 123.96 1zza h ALA 29 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1zza h ALA 29 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1zza h ALA 29 CO -0.11 0.13 0.58 -0.07 0.00 0.00 0.00 179.25 179.78 1zza h LEU 30 N 0.51 0.96 -0.15 0.00 3.38 0.40 0.50 115.31 120.92 1zza h LEU 30 Ca 0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zza h LEU 30 Cb 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1zza h LEU 30 CO -0.01 0.66 -0.07 0.40 0.09 0.00 0.00 178.44 179.52 1zza h ILE 31 N 1.12 1.31 -0.78 1.22 2.04 -0.35 0.12 117.51 122.20 1zza h ILE 31 Ca 0.35 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1zza h ILE 31 Cb -0.01 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1zza h ILE 31 CO -0.11 0.32 0.34 0.25 0.00 0.00 0.00 178.15 178.95 1zza h LEU 32 N -0.03 1.05 -0.12 1.44 5.85 -0.28 0.40 115.31 123.61 1zza h LEU 32 Ca 0.03 -0.14 -0.24 0.00 0.84 0.00 0.00 57.88 58.37 1zza h LEU 32 Cb 0.53 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1zza h LEU 32 CO 0.02 0.91 -0.95 1.23 -0.34 0.00 0.00 178.44 179.30 1zza h GLY 33 N 1.15 0.63 1.43 3.75 0.00 0.07 0.53 103.07 110.63 1zza h GLY 33 Ca 0.27 -1.07 -0.27 0.00 0.00 0.00 0.00 47.33 46.26 1zza h GLY 33 CO -0.03 0.94 -1.40 0.00 0.00 0.00 0.00 176.54 176.06 1zza n TRP 35 N -3.33 0.00 0.00 0.00 8.01 0.14 -5.04 117.44 117.22 1zza n TRP 35 Ca -0.11 -0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 1zza n TRP 35 Cb 1.01 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.31 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1zza s TYR 37 N 0.00 1.85 0.00 0.00 6.14 -1.26 -4.48 117.35 119.59 1zza s TYR 37 Ca 0.00 -2.00 0.00 0.00 0.64 0.00 0.00 57.07 55.71 1zza s TYR 37 Cb 0.00 -1.79 0.00 0.00 0.42 0.00 0.00 41.96 40.59 1zza s TYR 37 CO 0.00 -0.85 0.00 -0.11 0.64 0.00 0.00 175.55 175.23 1zza n LEU 38 N 4.40 0.00 0.00 6.97 7.94 -1.26 -2.67 117.00 132.37 1zza n LEU 38 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1zza n LEU 38 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1zza n LEU 38 CO 0.16 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.98 1zza n ARG 39 N 0.00 0.00 -3.99 1.96 5.12 -1.26 -4.85 116.66 113.64 1zza n ARG 39 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 1zza n ARG 39 Cb 0.00 -0.07 -0.02 0.00 -1.16 0.00 0.00 32.46 31.20 1zza n ARG 39 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1zza n LEU 40 N -2.35 -1.93 -1.62 0.55 -0.00 -1.09 -4.70 117.00 105.85 1zza n LEU 40 Ca 0.00 -1.08 0.06 0.00 -0.00 0.00 0.00 56.01 54.99 1zza n LEU 40 Cb 0.00 -2.09 0.33 0.00 -0.00 0.00 0.00 43.42 41.66 1zza n LEU 40 CO 0.00 0.47 0.76 0.00 -0.00 0.00 0.00 177.39 178.62 1zza n GLN 41 N -4.46 4.13 0.00 1.96 0.00 -1.26 -4.65 117.38 113.10 1zza n GLN 41 Ca -0.27 -2.55 0.00 0.00 0.00 0.00 0.00 57.00 54.17 1zza n GLN 41 Cb 0.67 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1zza n GLN 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1zza n ARG 42 N 0.54 3.75 -0.31 2.61 1.85 -1.26 -4.90 116.66 118.94 1zza n ARG 42 Ca 0.23 0.00 0.28 0.00 -1.00 0.00 0.00 57.85 57.35 1zza n ARG 42 Cb 1.01 0.00 0.61 0.00 -1.05 0.00 0.00 32.46 33.03 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 1zza h ILE 43 N 0.00 0.48 -2.66 8.89 3.07 -2.04 -3.47 117.51 121.78 1zza h ILE 43 Ca 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.33 1zza h ILE 43 Cb 0.00 0.24 0.00 0.00 -0.27 0.00 0.00 36.82 36.79 1zza h ILE 43 CO 0.00 0.04 -0.43 -0.24 -1.05 0.00 0.00 178.15 176.47 1zza n SER 44 N -4.45 -5.16 -0.52 2.16 2.88 -1.26 -4.96 113.62 102.31 1zza n SER 44 Ca 0.25 0.66 0.07 0.00 -1.33 0.00 0.00 58.87 58.53 1zza n SER 44 Cb 1.02 -2.83 0.04 0.00 -0.75 0.00 0.00 64.21 61.69 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 0.84 1.35 -3.53 -1.46 3.00 -1.26 -4.99 117.38 111.34 1zza n GLN 45 Ca 0.00 -1.19 -0.24 0.00 -0.01 0.00 0.00 57.00 55.56 1zza n GLN 45 Cb 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 30.24 29.04 1zza n GLN 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1zza n SER 46 N 0.52 -6.27 -4.82 1.08 2.88 -1.26 -4.97 113.62 100.78 1zza n SER 46 Ca 0.08 -0.51 -0.35 0.00 -1.33 0.00 0.00 58.87 56.76 1zza n SER 46 Cb 0.36 -4.96 -0.06 0.00 -0.75 0.00 0.00 64.21 58.80 1zza n SER 46 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1zza s GLU 47 N -6.24 4.26 0.34 -1.46 1.03 -1.26 -4.90 118.70 110.48 1zza s GLU 47 Ca 0.55 0.98 0.00 0.00 0.03 0.00 0.00 54.97 56.53 1zza s GLU 47 Cb -0.24 -2.61 0.00 0.00 -0.80 0.00 0.00 34.13 30.47 1zza s GLU 47 CO 0.68 0.23 0.00 -0.40 -1.33 0.00 0.00 175.26 174.44 1zza n ASP 48 N 0.15 -3.04 -4.69 0.83 5.68 -1.26 -4.81 116.55 109.41 1zza n ASP 48 Ca 0.02 0.66 -0.42 0.00 -0.50 0.00 0.00 54.79 54.55 1zza n ASP 48 Cb 0.52 2.96 -0.03 0.00 -1.14 0.00 0.00 41.12 43.43 1zza n ASP 48 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1zza s GLU 49 N -2.00 4.26 0.26 0.11 2.12 -1.26 -4.75 118.70 117.44 1zza s GLU 49 Ca 0.00 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.38 1zza s GLU 49 Cb 0.00 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1zza s GLU 49 CO 0.00 -0.62 0.00 -1.91 -0.54 0.00 0.00 175.26 172.19 1zza n GLU 50 N 5.49 -1.55 0.00 4.30 0.00 -1.26 -4.60 120.64 123.02 1zza n GLU 50 Ca 0.14 1.20 0.00 0.00 0.00 0.00 0.00 57.16 58.50 1zza n GLU 50 Cb 0.43 -1.83 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1zza n SER 51 N -3.27 0.00 -0.01 4.31 3.41 -1.26 -4.78 113.62 112.01 1zza n SER 51 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 1zza n SER 51 Cb 0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zza h ILE 52 N 0.00 1.33 0.00 -1.33 2.04 -2.01 -3.44 117.51 114.10 1zza h ILE 52 Ca 0.00 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1zza h ILE 52 Cb 0.00 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1zza h ILE 52 CO 0.00 0.37 -0.25 0.55 0.00 0.00 0.00 178.15 178.82 1zza n VAL 53 N -4.79 0.00 0.00 1.67 3.14 -1.26 -5.03 118.33 112.06 1zza n VAL 53 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1zza n VAL 53 Cb 0.32 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1zza n GLY 54 N 1.48 0.44 3.86 7.55 0.00 -1.26 -4.79 105.19 112.47 1zza n GLY 54 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1zza n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zza s ASP 55 N 0.00 6.72 0.00 1.61 2.15 -1.26 -4.83 116.67 121.06 1zza s ASP 55 Ca 0.00 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1zza s ASP 55 Cb 0.00 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1zza s ASP 55 CO 0.00 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 1zza n GLY 56 N -0.13 -1.50 1.05 2.66 0.00 -1.26 -4.94 105.19 101.06 1zza n GLY 56 Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1zza n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zza n GLU 57 N 0.00 2.21 -0.86 1.61 4.07 -1.26 -4.86 120.64 121.55 1zza n GLU 57 Ca 0.00 -3.04 -0.28 0.00 -0.06 0.00 0.00 57.16 53.79 1zza n GLU 57 Cb 0.00 -1.83 -0.03 0.00 -0.06 0.00 0.00 31.44 29.53 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1zza n THR 58 N -0.92 2.27 -4.25 6.31 -1.04 -1.26 -4.86 114.28 110.52 1zza n THR 58 Ca 0.29 -1.50 -0.28 0.00 -2.04 0.00 0.00 64.05 60.52 1zza n THR 58 Cb 0.99 -2.18 -0.09 0.00 -1.82 0.00 0.00 70.33 67.22 1zza n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1zza s LYS 59 N 3.83 2.12 -0.81 -2.82 1.02 -1.26 -5.07 119.74 116.75 1zza s LYS 59 Ca 0.44 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1zza s LYS 59 Cb 0.11 -2.24 0.25 0.00 -0.52 0.00 0.00 37.83 35.43 1zza s LYS 59 CO 0.01 0.47 0.88 0.39 -0.92 0.00 0.00 175.35 176.17 1zza n GLU 60 N 0.29 2.88 0.07 1.68 4.71 -1.26 -4.70 120.64 124.31 1zza n GLU 60 Ca -0.12 -4.58 -0.04 0.00 -0.01 0.00 0.00 57.16 52.41 1zza n GLU 60 Cb 0.54 -2.35 0.17 0.00 -1.01 0.00 0.00 31.44 28.79 1zza n GLU 60 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1zza h PRO 61 N 5.03 0.32 -5.41 3.49 0.13 -1.98 -3.42 132.00 130.16 1zza h PRO 61 Ca 0.18 -0.17 -0.45 0.00 -0.87 0.00 0.00 66.00 64.70 1zza h PRO 61 Cb 0.70 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.69 1zza h PRO 61 CO 0.93 0.71 -0.69 -0.06 -0.23 0.00 0.00 178.00 178.66 1zza s PHE 62 N -4.10 1.76 0.44 1.56 0.40 -1.26 -5.00 117.98 111.79 1zza s PHE 62 Ca -0.05 -0.71 0.14 0.00 -0.60 0.00 0.00 56.93 55.71 1zza s PHE 62 Cb 0.13 -0.95 1.05 0.00 0.51 0.00 0.00 43.02 43.75 1zza s PHE 62 CO 0.79 0.23 2.00 1.37 0.70 0.00 0.00 175.22 180.31 1zza h LEU 63 N 2.43 0.33 -0.06 -0.37 8.10 -1.98 0.43 115.31 124.19 1zza h LEU 63 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.60 1zza h LEU 63 Cb 1.23 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1zza h LEU 63 CO 0.65 0.21 0.01 0.25 -4.11 0.00 0.00 178.44 175.45 1zza h LEU 64 N 0.37 0.10 -0.77 0.17 6.46 -1.98 -1.26 115.31 118.41 1zza h LEU 64 Ca 0.24 -0.26 -0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1zza h LEU 64 Cb 0.46 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1zza h LEU 64 CO -0.06 0.33 -0.52 0.58 -0.62 0.00 0.00 178.44 178.15 1zza h VAL 65 N -0.14 1.35 0.36 1.05 2.07 -1.70 -0.05 116.25 119.20 1zza h VAL 65 Ca 0.02 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1zza h VAL 65 Cb 0.28 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1zza h VAL 65 CO 0.00 0.53 -0.30 -0.61 0.02 0.00 0.00 177.57 177.21 1zza h GLN 66 N 0.19 -0.65 -0.71 1.57 -0.00 0.05 0.78 115.11 116.34 1zza h GLN 66 Ca 0.01 0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 1zza h GLN 66 Cb 0.98 0.15 -0.03 0.00 0.00 0.00 0.00 27.48 28.58 1zza h GLN 66 CO 0.08 -0.43 0.32 1.88 0.00 0.00 0.00 178.83 180.67 1zza h TYR 67 N -0.68 1.05 -0.74 3.99 0.05 -1.17 0.25 116.97 119.72 1zza h TYR 67 Ca -0.03 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1zza h TYR 67 Cb 0.59 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1zza h TYR 67 CO -0.16 0.80 0.47 0.77 -1.05 0.00 0.00 178.16 178.99 1zza h SER 68 N 1.01 0.87 0.25 3.88 0.02 -0.42 -0.12 113.55 119.04 1zza h SER 68 Ca 0.24 -0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.81 1zza h SER 68 Cb 0.16 -0.22 0.03 0.00 0.14 0.00 0.00 62.40 62.51 1zza h SER 68 CO -0.03 0.65 -1.56 0.00 -1.14 0.00 0.00 176.83 174.76 1zza h ALA 69 N 1.50 -0.07 -0.67 3.77 0.00 0.11 -3.34 119.26 120.56 1zza h ALA 69 Ca 0.27 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1zza h ALA 69 Cb -0.08 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1zza h ALA 69 CO -0.05 0.80 0.37 0.87 0.00 0.00 0.00 179.25 181.23 1zza h LYS 70 N 0.14 0.94 -0.26 0.00 1.79 -0.27 -0.81 116.57 118.09 1zza h LYS 70 Ca -0.28 -0.11 0.03 0.00 -2.18 0.00 0.00 60.65 58.11 1zza h LYS 70 Cb 2.15 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 32.58 1zza h LYS 70 CO 0.25 0.70 -0.22 0.78 -1.08 0.00 0.00 179.45 179.88 1zza h GLY 71 N 0.92 -1.80 1.20 3.86 0.00 -1.14 1.41 103.07 107.53 1zza h GLY 71 Ca 0.24 0.91 -0.10 0.00 0.00 0.00 0.00 47.33 48.38 1zza h GLY 71 CO -0.04 -0.57 -0.05 -0.56 0.00 0.00 0.00 176.54 175.32 1zza h PRO 72 N -0.08 0.95 -0.56 4.80 0.13 -1.70 0.45 132.00 135.98 1zza h PRO 72 Ca 0.04 -0.31 0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1zza h PRO 72 Cb 0.19 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1zza h PRO 72 CO -0.29 0.97 0.33 0.00 -0.23 0.00 0.00 178.00 178.78 1zza h VAL 74 N 0.65 1.33 -0.55 0.00 2.07 0.21 -1.12 116.25 118.84 1zza h VAL 74 Ca 0.23 -2.01 0.08 0.00 0.82 0.00 0.00 66.70 65.82 1zza h VAL 74 Cb 0.05 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1zza h VAL 74 CO -0.11 0.62 0.21 -0.08 0.02 0.00 0.00 177.57 178.22 1zza h GLU 75 N 0.28 0.38 -0.16 1.57 4.22 0.37 0.53 114.58 121.78 1zza h GLU 75 Ca -0.07 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1zza h GLU 75 Cb 1.38 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1zza h GLU 75 CO 0.15 0.25 -0.11 0.00 -2.18 0.00 0.00 179.01 177.12 1zza h ARG 76 N 0.39 0.36 -0.59 1.92 -0.00 -0.43 -1.46 114.38 114.57 1zza h ARG 76 Ca 0.27 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.98 59.57 1zza h ARG 76 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.24 1zza h ARG 76 CO -0.27 0.70 0.32 0.87 0.00 0.00 0.00 179.97 181.60 1zza h LYS 77 N 0.01 0.81 -0.18 0.04 1.79 -0.64 0.12 116.57 118.51 1zza h LYS 77 Ca 0.03 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1zza h LYS 77 Cb 0.62 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1zza h LYS 77 CO 0.03 0.60 -0.04 0.00 -1.08 0.00 0.00 179.45 178.96 1zza h ALA 78 N 1.54 0.25 -0.63 3.86 0.00 0.16 0.31 119.26 124.76 1zza h ALA 78 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1zza h ALA 78 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1zza h ALA 78 CO -0.03 0.02 0.26 0.87 0.00 0.00 0.00 179.25 180.36 1zza h LYS 79 N 0.07 0.91 0.00 0.00 1.57 -0.75 0.43 116.57 118.80 1zza h LYS 79 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1zza h LYS 79 Cb 0.47 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1zza h LYS 79 CO 0.02 0.73 -0.00 1.25 -0.57 0.00 0.00 179.45 180.88 1zza h LEU 80 N 0.90 -0.00 -0.11 2.94 5.85 -0.62 -3.43 115.31 120.84 1zza h LEU 80 Ca 0.21 -0.97 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1zza h LEU 80 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1zza h LEU 80 CO -0.02 0.97 0.00 0.80 -0.34 0.00 0.00 178.44 179.85 1zza n MET 81 N -4.62 1.96 -3.10 1.25 1.56 0.90 -5.08 117.12 110.00 1zza n MET 81 Ca -0.10 -0.06 -0.14 0.00 -0.27 0.00 0.00 57.70 57.14 1zza n MET 81 Cb 0.47 -0.35 0.01 0.00 2.15 0.00 0.00 33.22 35.51 1zza n MET 81 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1zza n THR 82 N -0.30 -7.04 0.83 1.12 -1.04 0.15 -4.79 114.28 103.21 1zza n THR 82 Ca 0.00 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 1zza n THR 82 Cb 0.04 -5.10 0.00 0.00 -1.82 0.00 0.00 70.33 63.45 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 0.33 0.68 -0.65 -2.82 -0.04 -1.26 -4.49 135.00 126.75 1zza n PRO 83 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1zza n PRO 83 Cb 0.44 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1zza n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1zza n ASN 84 N 0.02 3.78 0.00 3.54 4.13 -1.26 -4.19 115.26 121.28 1zza n ASN 84 Ca 0.00 -2.16 0.00 0.00 1.68 0.00 0.00 54.58 54.10 1zza n ASN 84 Cb 0.13 -0.93 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zza n GLY 85 N 3.06 -1.86 1.77 7.41 0.00 -0.70 -4.85 105.19 110.02 1zza n GLY 85 Ca 0.32 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.84 1zza n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zza n PRO 86 N 0.00 -0.46 0.00 1.61 -0.04 -1.26 0.38 135.00 135.22 1zza n PRO 86 Ca 0.00 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1zza n PRO 86 Cb 0.00 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1zza n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zza n GLU 87 N -2.22 0.00 0.00 0.54 2.13 -1.26 -3.25 120.64 116.57 1zza n GLU 87 Ca 0.08 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.97 1zza n GLU 87 Cb 0.27 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.89 1zza n GLU 87 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1zza n VAL 88 N 0.00 0.00 -3.24 6.31 3.14 -1.26 -5.01 118.33 118.26 1zza n VAL 88 Ca 0.00 -0.16 -0.15 0.00 -2.96 0.00 0.00 64.34 61.07 1zza n VAL 88 Cb 0.00 1.01 0.08 0.00 -1.06 0.00 0.00 33.84 33.87 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 -1.29 -1.97 -0.89 1.45 -0.00 -0.14 -5.03 115.22 107.35 1zza n HIS 89 Ca 0.03 0.83 0.00 0.00 0.46 0.00 0.00 57.72 59.04 1zza n HIS 89 Cb 0.24 -4.65 0.00 0.00 -0.12 0.00 0.00 29.99 25.46 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21